smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)C[C@@H](C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000337198613 187323959 /nfs/dbraw/zinc/32/39/59/187323959.db2.gz ZTIJAZRFRVFFSB-CQSZACIVSA-N 2 2 237.391 2.887 20 0 BFADLP CC(C)C[C@@H](C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000337198613 187323961 /nfs/dbraw/zinc/32/39/61/187323961.db2.gz ZTIJAZRFRVFFSB-CQSZACIVSA-N 2 2 237.391 2.887 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422941882 398159146 /nfs/dbraw/zinc/15/91/46/398159146.db2.gz VXMXHLSOZOMMOI-NZVBXONLSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422942583 398159307 /nfs/dbraw/zinc/15/93/07/398159307.db2.gz JGIMFOCLEIAZDG-SMDDNHRTSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1cc(C[NH2+]CCCn2cc[nH+]c2)ccc1F ZINC000050544898 178019930 /nfs/dbraw/zinc/01/99/30/178019930.db2.gz SFMHASKGNWKYBK-UHFFFAOYSA-N 2 2 247.317 2.511 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423233207 398165168 /nfs/dbraw/zinc/16/51/68/398165168.db2.gz JNHINEGRMYALHX-IOASZLSFSA-N 2 2 244.382 2.967 20 0 BFADLP [NH3+][C@@H](C[NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC000423233237 398165176 /nfs/dbraw/zinc/16/51/76/398165176.db2.gz DEPPIJGOIPFVDM-KBPBESRZSA-N 2 2 230.355 2.609 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423233208 398165320 /nfs/dbraw/zinc/16/53/20/398165320.db2.gz JNHINEGRMYALHX-WWGRRREGSA-N 2 2 244.382 2.967 20 0 BFADLP Cc1cc(NCc2[nH+]ccn2CC(C)C)cc[nH+]1 ZINC000302226945 178177411 /nfs/dbraw/zinc/17/74/11/178177411.db2.gz UAQQOVWTWCHYDW-UHFFFAOYSA-N 2 2 244.342 2.855 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)oc1C ZINC000282155328 178232350 /nfs/dbraw/zinc/23/23/50/178232350.db2.gz LJIOSRMYAGYCIG-VXGBXAGGSA-N 2 2 247.342 2.832 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]CC[N@H+](C)CC ZINC000393626171 323004502 /nfs/dbraw/zinc/00/45/02/323004502.db2.gz XYFMSZIQYUMINN-STQMWFEESA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]CC[N@@H+](C)CC ZINC000393626171 323004503 /nfs/dbraw/zinc/00/45/03/323004503.db2.gz XYFMSZIQYUMINN-STQMWFEESA-N 2 2 214.397 2.743 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000576544687 365623759 /nfs/dbraw/zinc/62/37/59/365623759.db2.gz RXMUBVBYQYCNSB-LSDHHAIUSA-N 2 2 246.398 2.722 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000576544687 365623763 /nfs/dbraw/zinc/62/37/63/365623763.db2.gz RXMUBVBYQYCNSB-LSDHHAIUSA-N 2 2 246.398 2.722 20 0 BFADLP CCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000187713901 259308881 /nfs/dbraw/zinc/30/88/81/259308881.db2.gz QYWQGLXXBPYFIO-MELADBBJSA-N 2 2 235.375 2.955 20 0 BFADLP CCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000187713901 259308883 /nfs/dbraw/zinc/30/88/83/259308883.db2.gz QYWQGLXXBPYFIO-MELADBBJSA-N 2 2 235.375 2.955 20 0 BFADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]c2ccsc21 ZINC000428133882 398258561 /nfs/dbraw/zinc/25/85/61/398258561.db2.gz ZLVIEEFIRVHADY-UHFFFAOYSA-N 2 2 244.323 2.656 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CC2CCC1CC2 ZINC000381523722 398260348 /nfs/dbraw/zinc/26/03/48/398260348.db2.gz NJJXSGXXBJYUDB-URGYJCLVSA-N 2 2 247.386 2.688 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CC2CCC1CC2 ZINC000381523721 398260565 /nfs/dbraw/zinc/26/05/65/398260565.db2.gz NJJXSGXXBJYUDB-PPWQZUPISA-N 2 2 247.386 2.688 20 0 BFADLP Cc1scc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1C ZINC000400812619 398280768 /nfs/dbraw/zinc/28/07/68/398280768.db2.gz YWPDGURTIYUOPE-ZWNOBZJWSA-N 2 2 238.400 2.595 20 0 BFADLP CCC(CC)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000310035874 168388813 /nfs/dbraw/zinc/38/88/13/168388813.db2.gz UEOBLLPQORBMMI-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000310035874 168388814 /nfs/dbraw/zinc/38/88/14/168388814.db2.gz UEOBLLPQORBMMI-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H]([NH2+]CC[NH+]1CCCC1)c1cccnc1 ZINC000184882350 538969779 /nfs/dbraw/zinc/96/97/79/538969779.db2.gz IWIMGOSXUWTEOX-HNNXBMFYSA-N 2 2 247.386 2.608 20 0 BFADLP CCC(CC)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767363 168388120 /nfs/dbraw/zinc/38/81/20/168388120.db2.gz YRZBATBRIBBATD-UHFFFAOYSA-N 2 2 212.381 2.641 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000309657681 342776958 /nfs/dbraw/zinc/77/69/58/342776958.db2.gz FEIKFAMRRXUEER-ZIAGYGMSSA-N 2 2 222.376 2.558 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000309657681 342776959 /nfs/dbraw/zinc/77/69/59/342776959.db2.gz FEIKFAMRRXUEER-ZIAGYGMSSA-N 2 2 222.376 2.558 20 0 BFADLP CCC(CC)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000053485691 168388614 /nfs/dbraw/zinc/38/86/14/168388614.db2.gz FAKYGMJRFHPNCE-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000040672315 538972636 /nfs/dbraw/zinc/97/26/36/538972636.db2.gz NLCBHKQBNLTACR-FZMZJTMJSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000040672315 538972639 /nfs/dbraw/zinc/97/26/39/538972639.db2.gz NLCBHKQBNLTACR-FZMZJTMJSA-N 2 2 236.334 2.571 20 0 BFADLP Cn1cc[nH+]c1-c1cccc(C2CC[NH2+]CC2)c1 ZINC000630051893 361915551 /nfs/dbraw/zinc/91/55/51/361915551.db2.gz FMRLIJSSVAVJLF-UHFFFAOYSA-N 2 2 241.338 2.554 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000040673003 538972922 /nfs/dbraw/zinc/97/29/22/538972922.db2.gz MXDQNWRGFRNHGV-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000040673003 538972923 /nfs/dbraw/zinc/97/29/23/538972923.db2.gz MXDQNWRGFRNHGV-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP Cn1cc[nH+]c1-c1ccc([C@H]([NH3+])C2CCC2)cc1 ZINC000630051510 361917356 /nfs/dbraw/zinc/91/73/56/361917356.db2.gz CAOBKEBGGRQFSZ-CQSZACIVSA-N 2 2 241.338 2.887 20 0 BFADLP Cn1cc[nH+]c1-c1ccc2c(c1)CCCC[C@H]2[NH3+] ZINC000630052331 361920912 /nfs/dbraw/zinc/92/09/12/361920912.db2.gz IRBSZWISSODSLR-CQSZACIVSA-N 2 2 241.338 2.813 20 0 BFADLP C[C@H](CC[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000043534267 538981497 /nfs/dbraw/zinc/98/14/97/538981497.db2.gz OOVBOHWQNOSCLI-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H](CC[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000043534267 538981498 /nfs/dbraw/zinc/98/14/98/538981498.db2.gz OOVBOHWQNOSCLI-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H](CC[NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000043534271 538981713 /nfs/dbraw/zinc/98/17/13/538981713.db2.gz OOVBOHWQNOSCLI-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H](CC[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000043534271 538981714 /nfs/dbraw/zinc/98/17/14/538981714.db2.gz OOVBOHWQNOSCLI-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154627214 398294867 /nfs/dbraw/zinc/29/48/67/398294867.db2.gz LFSOJRKSNLXIAX-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154627214 398294871 /nfs/dbraw/zinc/29/48/71/398294871.db2.gz LFSOJRKSNLXIAX-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](C[NH2+]C1(C[NH+](C)C)CCC1)C(C)(C)C ZINC000381451288 539000648 /nfs/dbraw/zinc/00/06/48/539000648.db2.gz HIPNRMPLEHBBGD-LBPRGKRZSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000390745966 539027267 /nfs/dbraw/zinc/02/72/67/539027267.db2.gz ACJUXBPNYDXXBJ-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000390745966 539027268 /nfs/dbraw/zinc/02/72/68/539027268.db2.gz ACJUXBPNYDXXBJ-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000335633806 136241657 /nfs/dbraw/zinc/24/16/57/136241657.db2.gz DAGSZMZSHSVCRF-FZMZJTMJSA-N 2 2 244.338 2.520 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000132669407 398307550 /nfs/dbraw/zinc/30/75/50/398307550.db2.gz FHNNHCAGDGWEEE-ZDEQEGDKSA-N 2 2 224.392 2.636 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132669407 398307553 /nfs/dbraw/zinc/30/75/53/398307553.db2.gz FHNNHCAGDGWEEE-ZDEQEGDKSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@H](C[NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000013717588 342870890 /nfs/dbraw/zinc/87/08/90/342870890.db2.gz HALQVQCSRLGHEY-CQSZACIVSA-N 2 2 243.354 2.667 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C(/C)Cl)[C@@H](C)C1 ZINC000528417923 398326762 /nfs/dbraw/zinc/32/67/62/398326762.db2.gz VCMWOGSXCZWWHT-XTRMEEPQSA-N 2 2 244.810 2.791 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C(/C)Cl)[C@@H](C)C1 ZINC000528417923 398326764 /nfs/dbraw/zinc/32/67/64/398326764.db2.gz VCMWOGSXCZWWHT-XTRMEEPQSA-N 2 2 244.810 2.791 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C(/C)Cl)[C@@H](C)C1 ZINC000528417923 398326767 /nfs/dbraw/zinc/32/67/67/398326767.db2.gz VCMWOGSXCZWWHT-XTRMEEPQSA-N 2 2 244.810 2.791 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C(/C)Cl)[C@@H](C)C1 ZINC000528417923 398326768 /nfs/dbraw/zinc/32/67/68/398326768.db2.gz VCMWOGSXCZWWHT-XTRMEEPQSA-N 2 2 244.810 2.791 20 0 BFADLP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@H](C)[NH+](C)C ZINC000401582453 398328790 /nfs/dbraw/zinc/32/87/90/398328790.db2.gz KXJNMBVPUKCPTO-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313262709 259331864 /nfs/dbraw/zinc/33/18/64/259331864.db2.gz LCGQTUWUCNIQLC-ZIAGYGMSSA-N 2 2 249.402 2.767 20 0 BFADLP CCCC1CCC([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313262666 259331877 /nfs/dbraw/zinc/33/18/77/259331877.db2.gz LBGZKFQCDXPHJI-UHFFFAOYSA-N 2 2 249.402 2.911 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313272228 259332603 /nfs/dbraw/zinc/33/26/03/259332603.db2.gz QGCJZZVVVKHIRJ-CYBMUJFWSA-N 2 2 243.354 2.622 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC(C)(C)C2)c1 ZINC000313275715 259332737 /nfs/dbraw/zinc/33/27/37/259332737.db2.gz WREPJFGEZKBGJM-GFCCVEGCSA-N 2 2 235.375 2.521 20 0 BFADLP C[C@H](F)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000351760329 136252759 /nfs/dbraw/zinc/25/27/59/136252759.db2.gz UIGMZNPBPRLCDC-AGIUHOORSA-N 2 2 239.338 2.514 20 0 BFADLP C[C@H](F)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000351760329 136252760 /nfs/dbraw/zinc/25/27/60/136252760.db2.gz UIGMZNPBPRLCDC-AGIUHOORSA-N 2 2 239.338 2.514 20 0 BFADLP CC[NH+](CC)CC[NH2+]C1CCCCCC1 ZINC000019919184 342963193 /nfs/dbraw/zinc/96/31/93/342963193.db2.gz WUMDZSRHDXDKBT-UHFFFAOYSA-N 2 2 212.381 2.641 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000355682953 187212257 /nfs/dbraw/zinc/21/22/57/187212257.db2.gz RGQKDJBJZDLAGX-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000355682953 187212259 /nfs/dbraw/zinc/21/22/59/187212259.db2.gz RGQKDJBJZDLAGX-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP c1ccc(NC2CC([NH+]3CCCCC3)C2)[nH+]c1 ZINC000335906671 136260723 /nfs/dbraw/zinc/26/07/23/136260723.db2.gz SCYRAIVWDUVBER-UHFFFAOYSA-N 2 2 231.343 2.510 20 0 BFADLP CC(C)(C)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000361547427 187218292 /nfs/dbraw/zinc/21/82/92/187218292.db2.gz FRGVWMKYNKFKJJ-CYBMUJFWSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)(C)[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000361547427 187218294 /nfs/dbraw/zinc/21/82/94/187218294.db2.gz FRGVWMKYNKFKJJ-CYBMUJFWSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000177322923 187228323 /nfs/dbraw/zinc/22/83/23/187228323.db2.gz LIMGVFOJGMBSEY-ZIAGYGMSSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000177322923 187228325 /nfs/dbraw/zinc/22/83/25/187228325.db2.gz LIMGVFOJGMBSEY-ZIAGYGMSSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC(C2CC2)C2CC2)C[N@@H+]1C1CC1 ZINC000132155505 343187223 /nfs/dbraw/zinc/18/72/23/343187223.db2.gz ZHOFAASILXDACH-RISCZKNCSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC(C2CC2)C2CC2)C[N@H+]1C1CC1 ZINC000132155505 343187227 /nfs/dbraw/zinc/18/72/27/343187227.db2.gz ZHOFAASILXDACH-RISCZKNCSA-N 2 2 248.414 2.637 20 0 BFADLP CC(C)(C)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602870234 349801550 /nfs/dbraw/zinc/80/15/50/349801550.db2.gz NKDIACVWHIMQSY-ZDUSSCGKSA-N 2 2 235.375 2.956 20 0 BFADLP CC(C)(C)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000602870234 349801551 /nfs/dbraw/zinc/80/15/51/349801551.db2.gz NKDIACVWHIMQSY-ZDUSSCGKSA-N 2 2 235.375 2.956 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1Cl ZINC000035274911 343291978 /nfs/dbraw/zinc/29/19/78/343291978.db2.gz YSNSCMGPGIZFOT-NSHDSACASA-N 2 2 249.745 2.715 20 0 BFADLP CC[NH+]1CCC(Nc2ccc([NH+](C)C)cc2)CC1 ZINC000036335237 343316110 /nfs/dbraw/zinc/31/61/10/343316110.db2.gz KDANXGAOCNJCJW-UHFFFAOYSA-N 2 2 247.386 2.649 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)[NH+](C)C ZINC000038088033 343369808 /nfs/dbraw/zinc/36/98/08/343369808.db2.gz DNUGOBLYMVUESO-WFASDCNBSA-N 2 2 232.371 2.604 20 0 BFADLP Clc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000335642335 136309119 /nfs/dbraw/zinc/30/91/19/136309119.db2.gz HSCBUOZWDSBRLV-SECBINFHSA-N 2 2 244.791 2.633 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@@H]1C(F)F ZINC000348999996 136315225 /nfs/dbraw/zinc/31/52/25/136315225.db2.gz GPINFCFZULUBRB-RYUDHWBXSA-N 2 2 240.297 2.566 20 0 BFADLP Cc1cccc(C)c1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349333753 136341965 /nfs/dbraw/zinc/34/19/65/136341965.db2.gz RCJSTPUHTXHNMF-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP Cc1cccc(C)c1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000349333753 136341966 /nfs/dbraw/zinc/34/19/66/136341966.db2.gz RCJSTPUHTXHNMF-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP C[C@@H]1CCC[C@H](C[N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000349336954 136342275 /nfs/dbraw/zinc/34/22/75/136342275.db2.gz YNNWRNPJVHBSPM-KGLIPLIRSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@@H]1CCC[C@H](C[N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000349336954 136342276 /nfs/dbraw/zinc/34/22/76/136342276.db2.gz YNNWRNPJVHBSPM-KGLIPLIRSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@H]1CC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)C1 ZINC000353248717 136363839 /nfs/dbraw/zinc/36/38/39/136363839.db2.gz LRUPIYQPTFUWNK-IJLUTSLNSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H]1CC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)C1 ZINC000353248717 136363840 /nfs/dbraw/zinc/36/38/40/136363840.db2.gz LRUPIYQPTFUWNK-IJLUTSLNSA-N 2 2 247.386 2.681 20 0 BFADLP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000042545288 343443315 /nfs/dbraw/zinc/44/33/15/343443315.db2.gz CDJICRAKDPTLLQ-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCCCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000042545288 343443317 /nfs/dbraw/zinc/44/33/17/343443317.db2.gz CDJICRAKDPTLLQ-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H](CC[NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000043532916 343476809 /nfs/dbraw/zinc/47/68/09/343476809.db2.gz RIWHZJIVHVHLID-HNNXBMFYSA-N 2 2 246.398 2.866 20 0 BFADLP C[C@H](CC[NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000043534214 343477070 /nfs/dbraw/zinc/47/70/70/343477070.db2.gz JHSGOXVAARBBFE-ZIAGYGMSSA-N 2 2 234.387 2.720 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CCCCCC1)CC2 ZINC000335858640 344033846 /nfs/dbraw/zinc/03/38/46/344033846.db2.gz MXHBHSOGWRGLOL-ZDUSSCGKSA-N 2 2 233.359 2.510 20 0 BFADLP CCC[C@H](C)CCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434186 343735032 /nfs/dbraw/zinc/73/50/32/343735032.db2.gz HTJHTQVTMLJZTO-LBPRGKRZSA-N 2 2 235.375 2.984 20 0 BFADLP CCC[C@H](C)CCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434186 343735034 /nfs/dbraw/zinc/73/50/34/343735034.db2.gz HTJHTQVTMLJZTO-LBPRGKRZSA-N 2 2 235.375 2.984 20 0 BFADLP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000348128883 537839416 /nfs/dbraw/zinc/83/94/16/537839416.db2.gz WGXRPMQRFACWGL-BPUTZDHNSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000348128883 537839425 /nfs/dbraw/zinc/83/94/25/537839425.db2.gz WGXRPMQRFACWGL-BPUTZDHNSA-N 2 2 248.414 2.782 20 0 BFADLP CCc1[nH+]ccn1CCc1[nH]c2ccccc2[nH+]1 ZINC000641473393 362441711 /nfs/dbraw/zinc/44/17/11/362441711.db2.gz VMHMNDPSXHGPQT-UHFFFAOYSA-N 2 2 240.310 2.565 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)C1CCCCCC1 ZINC000153899799 344995848 /nfs/dbraw/zinc/99/58/48/344995848.db2.gz YOUOYDKKTDMSBJ-UHFFFAOYSA-N 2 2 235.375 2.928 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)C1CCCCCC1 ZINC000153899799 344995851 /nfs/dbraw/zinc/99/58/51/344995851.db2.gz YOUOYDKKTDMSBJ-UHFFFAOYSA-N 2 2 235.375 2.928 20 0 BFADLP Cc1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353229 345032584 /nfs/dbraw/zinc/03/25/84/345032584.db2.gz NXVOZOWWGFBPJA-UHFFFAOYSA-N 2 2 243.354 2.762 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000044353261 345032614 /nfs/dbraw/zinc/03/26/14/345032614.db2.gz ISCKQYGDSIRHGH-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353234 345032985 /nfs/dbraw/zinc/03/29/85/345032985.db2.gz YLTHUZMAUGMXTN-UHFFFAOYSA-N 2 2 243.354 2.762 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154556537 345041890 /nfs/dbraw/zinc/04/18/90/345041890.db2.gz MRPACSCVDUIIQG-IVMMDQJWSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154556537 345041892 /nfs/dbraw/zinc/04/18/92/345041892.db2.gz MRPACSCVDUIIQG-IVMMDQJWSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H]1C[C@H](C)C[NH+](CCCNc2cccc[nH+]2)C1 ZINC000079927643 345059573 /nfs/dbraw/zinc/05/95/73/345059573.db2.gz BRAIFZGGPSTXDF-KBPBESRZSA-N 2 2 247.386 2.862 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCCC(C)(F)F)C[N@H+]1C1CC1 ZINC000390089897 323083571 /nfs/dbraw/zinc/08/35/71/323083571.db2.gz IIPIVZVNACUYRE-MNOVXSKESA-N 2 2 246.345 2.637 20 0 BFADLP CC(C)[C@@H](C[NH3+])CNc1ccc2c(c1)CCC[NH2+]2 ZINC000634994653 345182716 /nfs/dbraw/zinc/18/27/16/345182716.db2.gz JSFDJAOAXFDFEO-ZDUSSCGKSA-N 2 2 247.386 2.688 20 0 BFADLP CC(C)[C@@H](C[NH3+])C[NH2+]c1ccc2c(c1)CCCN2 ZINC000634994653 345182719 /nfs/dbraw/zinc/18/27/19/345182719.db2.gz JSFDJAOAXFDFEO-ZDUSSCGKSA-N 2 2 247.386 2.688 20 0 BFADLP CC(C)CC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156433782 345157290 /nfs/dbraw/zinc/15/72/90/345157290.db2.gz XJGWRWORZMGGAE-KGLIPLIRSA-N 2 2 235.375 2.812 20 0 BFADLP CC(C)CC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156433782 345157292 /nfs/dbraw/zinc/15/72/92/345157292.db2.gz XJGWRWORZMGGAE-KGLIPLIRSA-N 2 2 235.375 2.812 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)[nH]1 ZINC000092071601 345615717 /nfs/dbraw/zinc/61/57/17/345615717.db2.gz JHJJTGYCOREAIY-UONOGXRCSA-N 2 2 245.370 2.945 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)[nH]1 ZINC000092071601 345615720 /nfs/dbraw/zinc/61/57/20/345615720.db2.gz JHJJTGYCOREAIY-UONOGXRCSA-N 2 2 245.370 2.945 20 0 BFADLP C[NH+](C)CC[NH+]1CCC2(CCCCC2)CC1 ZINC000089892486 345752057 /nfs/dbraw/zinc/75/20/57/345752057.db2.gz WTGZITCDAQOUSR-UHFFFAOYSA-N 2 2 224.392 2.594 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000628208259 345786085 /nfs/dbraw/zinc/78/60/85/345786085.db2.gz FVKMMAMTQOXDNO-GDBMZVCRSA-N 2 2 246.398 2.782 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000628208259 345786090 /nfs/dbraw/zinc/78/60/90/345786090.db2.gz FVKMMAMTQOXDNO-GDBMZVCRSA-N 2 2 246.398 2.782 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252155911 535009960 /nfs/dbraw/zinc/00/99/60/535009960.db2.gz PDICLNYMUBWPEV-WDNDVIMCSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252155911 535009963 /nfs/dbraw/zinc/00/99/63/535009963.db2.gz PDICLNYMUBWPEV-WDNDVIMCSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000222060552 535010155 /nfs/dbraw/zinc/01/01/55/535010155.db2.gz KJSDEEWGELCFGT-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000222060552 535010159 /nfs/dbraw/zinc/01/01/59/535010159.db2.gz KJSDEEWGELCFGT-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000531691904 323111707 /nfs/dbraw/zinc/11/17/07/323111707.db2.gz YYUJSNDDATTZSP-RRFJBIMHSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cc(N[C@@H](c2[nH]cc[nH+]2)C(C)C)nc(C)[nH+]1 ZINC000285566568 537961781 /nfs/dbraw/zinc/96/17/81/537961781.db2.gz JNIARUJVPWIHNY-GFCCVEGCSA-N 2 2 245.330 2.626 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000641755601 362681506 /nfs/dbraw/zinc/68/15/06/362681506.db2.gz NNUOXBJBHUNDSC-JHJVBQTASA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000641755601 362681509 /nfs/dbraw/zinc/68/15/09/362681509.db2.gz NNUOXBJBHUNDSC-JHJVBQTASA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000641755599 362681533 /nfs/dbraw/zinc/68/15/33/362681533.db2.gz NNUOXBJBHUNDSC-AGIUHOORSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000641755599 362681534 /nfs/dbraw/zinc/68/15/34/362681534.db2.gz NNUOXBJBHUNDSC-AGIUHOORSA-N 2 2 247.386 2.825 20 0 BFADLP Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000354654043 179049313 /nfs/dbraw/zinc/04/93/13/179049313.db2.gz OFWUDEWLEYQNSU-GFCCVEGCSA-N 2 2 229.327 2.877 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1cccc(F)c1 ZINC000020126973 259389221 /nfs/dbraw/zinc/38/92/21/259389221.db2.gz LMIIFSFRLIVZRQ-LBPRGKRZSA-N 2 2 236.334 2.572 20 0 BFADLP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000042546133 179061635 /nfs/dbraw/zinc/06/16/35/179061635.db2.gz SBFYSPNNCARDHP-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000042546133 179061636 /nfs/dbraw/zinc/06/16/36/179061636.db2.gz SBFYSPNNCARDHP-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[NH+]3CCC2CC3)c1C ZINC000367671658 179077996 /nfs/dbraw/zinc/07/79/96/179077996.db2.gz VJTOVFAZDDWLJN-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP Cc1cccc(C[N@H+]2CC[NH+]3CCC2CC3)c1C ZINC000367671658 179077997 /nfs/dbraw/zinc/07/79/97/179077997.db2.gz VJTOVFAZDDWLJN-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP Cc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1C ZINC000047892452 179095862 /nfs/dbraw/zinc/09/58/62/179095862.db2.gz HSVDZHVNNTWBEM-ZDUSSCGKSA-N 2 2 243.354 2.678 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000122301277 179100349 /nfs/dbraw/zinc/10/03/49/179100349.db2.gz KEMHGWWQVMJQSV-UKRRQHHQSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000122301277 179100352 /nfs/dbraw/zinc/10/03/52/179100352.db2.gz KEMHGWWQVMJQSV-UKRRQHHQSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1cccc([N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000235661109 179116339 /nfs/dbraw/zinc/11/63/39/179116339.db2.gz ZMQOPEXPBAWYRJ-UONOGXRCSA-N 2 2 232.371 2.819 20 0 BFADLP Cc1cccc([N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000235661109 179116341 /nfs/dbraw/zinc/11/63/41/179116341.db2.gz ZMQOPEXPBAWYRJ-UONOGXRCSA-N 2 2 232.371 2.819 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000623015319 346542172 /nfs/dbraw/zinc/54/21/72/346542172.db2.gz YGUNXVIDMLCDMB-CMPLNLGQSA-N 2 2 240.297 2.566 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000623015320 346542360 /nfs/dbraw/zinc/54/23/60/346542360.db2.gz YGUNXVIDMLCDMB-JQWIXIFHSA-N 2 2 240.297 2.566 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000580158292 346575651 /nfs/dbraw/zinc/57/56/51/346575651.db2.gz QMBPPVNKHYIGDT-NWDGAFQWSA-N 2 2 235.375 2.612 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044686655 179183138 /nfs/dbraw/zinc/18/31/38/179183138.db2.gz LZJRBQVWAVGWFP-UKRRQHHQSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044686655 179183140 /nfs/dbraw/zinc/18/31/40/179183140.db2.gz LZJRBQVWAVGWFP-UKRRQHHQSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c1C ZINC000155657759 179196925 /nfs/dbraw/zinc/19/69/25/179196925.db2.gz UMSFNGYZLRZCFJ-AWEZNQCLSA-N 2 2 243.354 2.851 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044686657 179196930 /nfs/dbraw/zinc/19/69/30/179196930.db2.gz LZJRBQVWAVGWFP-DZGCQCFKSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044686657 179196932 /nfs/dbraw/zinc/19/69/32/179196932.db2.gz LZJRBQVWAVGWFP-DZGCQCFKSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC[NH+](C)C ZINC000286882119 179222508 /nfs/dbraw/zinc/22/25/08/179222508.db2.gz CMTQFOGGKPCYBM-GXTWGEPZSA-N 2 2 232.371 2.695 20 0 BFADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000020226770 347430594 /nfs/dbraw/zinc/43/05/94/347430594.db2.gz MPRZGTGSDSTTFS-QMMMGPOBSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000020226770 347430599 /nfs/dbraw/zinc/43/05/99/347430599.db2.gz MPRZGTGSDSTTFS-QMMMGPOBSA-N 2 2 247.169 2.772 20 0 BFADLP Cc1ccccc1C[N@@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000042436135 179270870 /nfs/dbraw/zinc/27/08/70/179270870.db2.gz PZZFXIYNBVESLJ-HNNXBMFYSA-N 2 2 234.387 2.800 20 0 BFADLP Cc1ccccc1C[N@H+](C)C[C@@H]([NH3+])CC(C)C ZINC000042436135 179270874 /nfs/dbraw/zinc/27/08/74/179270874.db2.gz PZZFXIYNBVESLJ-HNNXBMFYSA-N 2 2 234.387 2.800 20 0 BFADLP C[C@H]([NH2+][C@H](CC[NH3+])C(F)F)C1CCCCC1 ZINC000414983081 323152388 /nfs/dbraw/zinc/15/23/88/323152388.db2.gz BLJINVVOTKIPLW-GXSJLCMTSA-N 2 2 234.334 2.527 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020201706 259398162 /nfs/dbraw/zinc/39/81/62/259398162.db2.gz GTKSICMHMCTOIM-CHWSQXEVSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044684643 179322041 /nfs/dbraw/zinc/32/20/41/179322041.db2.gz JMWXAYIEBVSJGE-ZIAGYGMSSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044684643 179322044 /nfs/dbraw/zinc/32/20/44/179322044.db2.gz JMWXAYIEBVSJGE-ZIAGYGMSSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154601379 179337567 /nfs/dbraw/zinc/33/75/67/179337567.db2.gz SGWCFTBQLUFOKR-KBPBESRZSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154601379 179337571 /nfs/dbraw/zinc/33/75/71/179337571.db2.gz SGWCFTBQLUFOKR-KBPBESRZSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H]3CCC3(C)C)c[nH+]c12 ZINC000342199258 179355512 /nfs/dbraw/zinc/35/55/12/179355512.db2.gz DUALMIIQWJQUSD-ZDUSSCGKSA-N 2 2 243.354 2.921 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)C(C)(C)C ZINC000124002648 348625670 /nfs/dbraw/zinc/62/56/70/348625670.db2.gz XHVUDNKZSOGLLX-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000070683196 490232169 /nfs/dbraw/zinc/23/21/69/490232169.db2.gz WEKLAXFFFBILCY-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000070683196 490232172 /nfs/dbraw/zinc/23/21/72/490232172.db2.gz WEKLAXFFFBILCY-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131434611 191014941 /nfs/dbraw/zinc/01/49/41/191014941.db2.gz HRRBIUODOVYZQV-ZDUSSCGKSA-N 2 2 221.348 2.538 20 0 BFADLP CC[C@H]1CCCCC[N@H+]1CCn1cc[nH+]c1 ZINC000131434611 191014942 /nfs/dbraw/zinc/01/49/42/191014942.db2.gz HRRBIUODOVYZQV-ZDUSSCGKSA-N 2 2 221.348 2.538 20 0 BFADLP Cc1ccoc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623530639 362948406 /nfs/dbraw/zinc/94/84/06/362948406.db2.gz GGSKWDDBPHYCOB-LBPRGKRZSA-N 2 2 236.359 2.550 20 0 BFADLP Cc1ccoc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623530639 362948407 /nfs/dbraw/zinc/94/84/07/362948407.db2.gz GGSKWDDBPHYCOB-LBPRGKRZSA-N 2 2 236.359 2.550 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H](C)C(C)(C)C)[NH+](C)C ZINC000131890369 191017279 /nfs/dbraw/zinc/01/72/79/191017279.db2.gz GOKIRHJAFLYNIL-OLZOCXBDSA-N 2 2 228.424 2.987 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)C[N@@H+]1C1CC1 ZINC000132725106 191035533 /nfs/dbraw/zinc/03/55/33/191035533.db2.gz WHVAYQZQXGBUNY-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)C[N@H+]1C1CC1 ZINC000132725106 191035534 /nfs/dbraw/zinc/03/55/34/191035534.db2.gz WHVAYQZQXGBUNY-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]C(C)C ZINC000042225218 180104379 /nfs/dbraw/zinc/10/43/79/180104379.db2.gz XWIWJGJCYIZODE-UHFFFAOYSA-N 2 2 231.343 2.733 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000304443913 490361185 /nfs/dbraw/zinc/36/11/85/490361185.db2.gz VWYPRYFDRXSGTG-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000304443913 490361194 /nfs/dbraw/zinc/36/11/94/490361194.db2.gz VWYPRYFDRXSGTG-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CC=CCC1 ZINC000037166552 191069363 /nfs/dbraw/zinc/06/93/63/191069363.db2.gz PXLGGUWDMWJTOB-CABCVRRESA-N 2 2 238.419 2.909 20 0 BFADLP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@@H]1CC=CCC1 ZINC000037166553 191069511 /nfs/dbraw/zinc/06/95/11/191069511.db2.gz PXLGGUWDMWJTOB-HUUCEWRRSA-N 2 2 238.419 2.909 20 0 BFADLP CC(C)C[C@H](C[NH+](C)C)[NH2+]Cc1ccccc1 ZINC000037166916 191069539 /nfs/dbraw/zinc/06/95/39/191069539.db2.gz FPRHZBXMPVOGET-OAHLLOKOSA-N 2 2 234.387 2.753 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000252089816 538071150 /nfs/dbraw/zinc/07/11/50/538071150.db2.gz DKUGIEDRGLBLCM-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000252089816 538071154 /nfs/dbraw/zinc/07/11/54/538071154.db2.gz DKUGIEDRGLBLCM-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)cc[nH+]1 ZINC000266166154 180199401 /nfs/dbraw/zinc/19/94/01/180199401.db2.gz PMCARJUTSVULBY-UHFFFAOYSA-N 2 2 248.374 2.506 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000336495764 180254755 /nfs/dbraw/zinc/25/47/55/180254755.db2.gz VELSXQJIZPTHAH-DZGCQCFKSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000336495764 180254758 /nfs/dbraw/zinc/25/47/58/180254758.db2.gz VELSXQJIZPTHAH-DZGCQCFKSA-N 2 2 247.386 2.704 20 0 BFADLP CC(C)C1CCC([NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000054556302 350279730 /nfs/dbraw/zinc/27/97/30/350279730.db2.gz XHPKPFSYBCWVSJ-NRXISQOPSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C1CCC([NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000054556302 350279733 /nfs/dbraw/zinc/27/97/33/350279733.db2.gz XHPKPFSYBCWVSJ-NRXISQOPSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000427717444 191089798 /nfs/dbraw/zinc/08/97/98/191089798.db2.gz HABAIXUSWBJELE-HOCLYGCPSA-N 2 2 248.414 2.793 20 0 BFADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000427717442 191090019 /nfs/dbraw/zinc/09/00/19/191090019.db2.gz HABAIXUSWBJELE-GDBMZVCRSA-N 2 2 248.414 2.793 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427890637 191099943 /nfs/dbraw/zinc/09/99/43/191099943.db2.gz JMDLOWYMGGKMGD-MELADBBJSA-N 2 2 247.386 2.612 20 0 BFADLP C[NH2+]CCC[N@H+](C)Cc1ccc(Cl)cc1F ZINC000163176306 350504951 /nfs/dbraw/zinc/50/49/51/350504951.db2.gz FEHFBSNUNDNSSJ-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(Cl)cc1F ZINC000163176306 350504956 /nfs/dbraw/zinc/50/49/56/350504956.db2.gz FEHFBSNUNDNSSJ-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000070562276 350536106 /nfs/dbraw/zinc/53/61/06/350536106.db2.gz YDBMMRDYZIBAQR-UONOGXRCSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000070562273 350536335 /nfs/dbraw/zinc/53/63/35/350536335.db2.gz YDBMMRDYZIBAQR-KGLIPLIRSA-N 2 2 224.392 2.641 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000390797116 259415686 /nfs/dbraw/zinc/41/56/86/259415686.db2.gz SXFBFAGOLJVASC-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000390797116 259415687 /nfs/dbraw/zinc/41/56/87/259415687.db2.gz SXFBFAGOLJVASC-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]CCCCn1cc[nH+]c1 ZINC000129263148 490618003 /nfs/dbraw/zinc/61/80/03/490618003.db2.gz KDRWADGEYCFSNT-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000245780590 350827899 /nfs/dbraw/zinc/82/78/99/350827899.db2.gz CDKQLBZSMAJSPO-JSGCOSHPSA-N 2 2 248.370 2.731 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000245780590 350827900 /nfs/dbraw/zinc/82/79/00/350827900.db2.gz CDKQLBZSMAJSPO-JSGCOSHPSA-N 2 2 248.370 2.731 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CCCCC1 ZINC000037320260 358471388 /nfs/dbraw/zinc/47/13/88/358471388.db2.gz ZNIMZOVFPBBTCE-STQMWFEESA-N 2 2 235.375 2.830 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353599270 352500249 /nfs/dbraw/zinc/50/02/49/352500249.db2.gz WSDDAIDXPMUIHB-FRRDWIJNSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353599270 352500253 /nfs/dbraw/zinc/50/02/53/352500253.db2.gz WSDDAIDXPMUIHB-FRRDWIJNSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1CCCCC1 ZINC000037320261 358471777 /nfs/dbraw/zinc/47/17/77/358471777.db2.gz ZNIMZOVFPBBTCE-OLZOCXBDSA-N 2 2 235.375 2.830 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000043326415 352636511 /nfs/dbraw/zinc/63/65/11/352636511.db2.gz NJHXGUMKLCWUBQ-CABCVRRESA-N 2 2 232.371 2.788 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000043324594 352636548 /nfs/dbraw/zinc/63/65/48/352636548.db2.gz OPIXWDLHEZGHHE-ZWNOBZJWSA-N 2 2 238.762 2.743 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043324527 352636562 /nfs/dbraw/zinc/63/65/62/352636562.db2.gz SJYKVBYYHWCFRZ-ZWNOBZJWSA-N 2 2 238.762 2.743 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000043326513 352637444 /nfs/dbraw/zinc/63/74/44/352637444.db2.gz DRBDFYIAQPFTLX-AAEUAGOBSA-N 2 2 244.338 2.835 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000334217389 352817997 /nfs/dbraw/zinc/81/79/97/352817997.db2.gz WPOZNPMZRMKYQH-KOLCDFICSA-N 2 2 247.367 2.679 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000334217389 352818001 /nfs/dbraw/zinc/81/80/01/352818001.db2.gz WPOZNPMZRMKYQH-KOLCDFICSA-N 2 2 247.367 2.679 20 0 BFADLP C[NH2+]C[C@H](C)CNc1[nH+]ccc2ccc(F)cc21 ZINC000420210074 192176633 /nfs/dbraw/zinc/17/66/33/192176633.db2.gz SFRYLXABYJNHCL-JTQLQIEISA-N 2 2 247.317 2.641 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000268838758 188024090 /nfs/dbraw/zinc/02/40/90/188024090.db2.gz TXUKERWDEXAJDY-ZIAGYGMSSA-N 2 2 235.375 2.996 20 0 BFADLP CC(C)[C@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000053345124 188046639 /nfs/dbraw/zinc/04/66/39/188046639.db2.gz FVSWILDTHRHRNM-AWEZNQCLSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)[C@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000053345124 188046640 /nfs/dbraw/zinc/04/66/40/188046640.db2.gz FVSWILDTHRHRNM-AWEZNQCLSA-N 2 2 234.387 2.753 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccco2)C[C@@H]1C ZINC000353752322 353194510 /nfs/dbraw/zinc/19/45/10/353194510.db2.gz SDQUTOPAHGKXFW-QWHCGFSZSA-N 2 2 236.359 2.584 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccco2)C[C@@H]1C ZINC000353752322 353194512 /nfs/dbraw/zinc/19/45/12/353194512.db2.gz SDQUTOPAHGKXFW-QWHCGFSZSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccco2)C[C@@H]1C ZINC000353752322 353194514 /nfs/dbraw/zinc/19/45/14/353194514.db2.gz SDQUTOPAHGKXFW-QWHCGFSZSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccco2)C[C@@H]1C ZINC000353752322 353194516 /nfs/dbraw/zinc/19/45/16/353194516.db2.gz SDQUTOPAHGKXFW-QWHCGFSZSA-N 2 2 236.359 2.584 20 0 BFADLP CC(C)C[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000343259019 353254915 /nfs/dbraw/zinc/25/49/15/353254915.db2.gz LAHRWUUFMNBKAS-CYBMUJFWSA-N 2 2 223.364 2.640 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000343259019 353254920 /nfs/dbraw/zinc/25/49/20/353254920.db2.gz LAHRWUUFMNBKAS-CYBMUJFWSA-N 2 2 223.364 2.640 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000083949153 538112569 /nfs/dbraw/zinc/11/25/69/538112569.db2.gz LYAOFXDZNCAEDA-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000356928497 188238613 /nfs/dbraw/zinc/23/86/13/188238613.db2.gz VTDQBJPRGZKYNW-QLKUMGTLSA-N 2 2 232.371 2.630 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)[NH+](C)C ZINC000309286632 188301895 /nfs/dbraw/zinc/30/18/95/188301895.db2.gz GOKKRDGJRXNBDZ-AAVRWANBSA-N 2 2 226.408 2.597 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)CC2 ZINC000154604479 188332692 /nfs/dbraw/zinc/33/26/92/188332692.db2.gz FMAWFZIYBPZWSZ-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CC2 ZINC000154604479 188332693 /nfs/dbraw/zinc/33/26/93/188332693.db2.gz FMAWFZIYBPZWSZ-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC000154619688 188332837 /nfs/dbraw/zinc/33/28/37/188332837.db2.gz RKTTXHUQXUACAJ-BXUZGUMPSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC000154619688 188332840 /nfs/dbraw/zinc/33/28/40/188332840.db2.gz RKTTXHUQXUACAJ-BXUZGUMPSA-N 2 2 236.334 2.571 20 0 BFADLP CCC[C@H](CC)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000125485723 188367627 /nfs/dbraw/zinc/36/76/27/188367627.db2.gz DALPOWVDLJPZCZ-RYUDHWBXSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](CC)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000125485723 188367629 /nfs/dbraw/zinc/36/76/29/188367629.db2.gz DALPOWVDLJPZCZ-RYUDHWBXSA-N 2 2 212.381 2.637 20 0 BFADLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1cccs1 ZINC000270824526 188376175 /nfs/dbraw/zinc/37/61/75/188376175.db2.gz KEKSUBOZROFHTG-UHFFFAOYSA-N 2 2 249.383 2.855 20 0 BFADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1cccs1 ZINC000270824526 188376180 /nfs/dbraw/zinc/37/61/80/188376180.db2.gz KEKSUBOZROFHTG-UHFFFAOYSA-N 2 2 249.383 2.855 20 0 BFADLP CCC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000077412177 353591173 /nfs/dbraw/zinc/59/11/73/353591173.db2.gz PWWRYAHEZMQVPD-WCQYABFASA-N 2 2 221.348 2.858 20 0 BFADLP C[C@H]1c2ccccc2C[N@H+]1CCCn1cc[nH+]c1 ZINC000343313842 353624251 /nfs/dbraw/zinc/62/42/51/353624251.db2.gz KOBLKIZBGJJGIR-ZDUSSCGKSA-N 2 2 241.338 2.850 20 0 BFADLP C[C@H]1c2ccccc2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343313842 353624253 /nfs/dbraw/zinc/62/42/53/353624253.db2.gz KOBLKIZBGJJGIR-ZDUSSCGKSA-N 2 2 241.338 2.850 20 0 BFADLP CC(C)C[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343315482 353641780 /nfs/dbraw/zinc/64/17/80/353641780.db2.gz QQOQCFICLKEDHZ-AWEZNQCLSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343315482 353641783 /nfs/dbraw/zinc/64/17/83/353641783.db2.gz QQOQCFICLKEDHZ-AWEZNQCLSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343320641 353676846 /nfs/dbraw/zinc/67/68/46/353676846.db2.gz LWWQVKFIPIAIET-CYBMUJFWSA-N 2 2 221.348 2.538 20 0 BFADLP C[C@@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343320641 353676849 /nfs/dbraw/zinc/67/68/49/353676849.db2.gz LWWQVKFIPIAIET-CYBMUJFWSA-N 2 2 221.348 2.538 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019741697 353700035 /nfs/dbraw/zinc/70/00/35/353700035.db2.gz UTYAEVOAOKNRMR-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000019741697 353700038 /nfs/dbraw/zinc/70/00/38/353700038.db2.gz UTYAEVOAOKNRMR-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H]3CC3(C)C)c[nH+]c12 ZINC000343632719 353948820 /nfs/dbraw/zinc/94/88/20/353948820.db2.gz CNIKWZKURRBNCV-LBPRGKRZSA-N 2 2 229.327 2.531 20 0 BFADLP CC(C)(C)C1CC([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000334563652 354081395 /nfs/dbraw/zinc/08/13/95/354081395.db2.gz NZSUVDBVEOGWBK-OTTFEQOBSA-N 2 2 247.386 2.612 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344362221 354241862 /nfs/dbraw/zinc/24/18/62/354241862.db2.gz RTGFVEGJJBAPFY-DZGCQCFKSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344362221 354241864 /nfs/dbraw/zinc/24/18/64/354241864.db2.gz RTGFVEGJJBAPFY-DZGCQCFKSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344362227 354242560 /nfs/dbraw/zinc/24/25/60/354242560.db2.gz RTGFVEGJJBAPFY-ZFWWWQNUSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344362227 354242561 /nfs/dbraw/zinc/24/25/61/354242561.db2.gz RTGFVEGJJBAPFY-ZFWWWQNUSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344329603 354225617 /nfs/dbraw/zinc/22/56/17/354225617.db2.gz MWXFVARJOMGSQY-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344329603 354225621 /nfs/dbraw/zinc/22/56/21/354225621.db2.gz MWXFVARJOMGSQY-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1occc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000334610626 354293565 /nfs/dbraw/zinc/29/35/65/354293565.db2.gz ZGOZEPYVTGEPMQ-YIONKMFJSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1occc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000334610626 354293569 /nfs/dbraw/zinc/29/35/69/354293569.db2.gz ZGOZEPYVTGEPMQ-YIONKMFJSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1occc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000334610626 354293572 /nfs/dbraw/zinc/29/35/72/354293572.db2.gz ZGOZEPYVTGEPMQ-YIONKMFJSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1occc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000334610626 354293575 /nfs/dbraw/zinc/29/35/75/354293575.db2.gz ZGOZEPYVTGEPMQ-YIONKMFJSA-N 2 2 248.370 2.645 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000623634655 366199305 /nfs/dbraw/zinc/19/93/05/366199305.db2.gz PBRPCSIIEUQBGL-NSRYLSIASA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000623634655 366199310 /nfs/dbraw/zinc/19/93/10/366199310.db2.gz PBRPCSIIEUQBGL-NSRYLSIASA-N 2 2 248.345 2.523 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC13CCC3)CC2 ZINC000334735909 354536663 /nfs/dbraw/zinc/53/66/63/354536663.db2.gz WAZULKAGXUWIHG-OLZOCXBDSA-N 2 2 245.370 2.510 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000334796314 354550203 /nfs/dbraw/zinc/55/02/03/354550203.db2.gz ZPOJGORFQWLCNR-ZFWWWQNUSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000334796314 354550209 /nfs/dbraw/zinc/55/02/09/354550209.db2.gz ZPOJGORFQWLCNR-ZFWWWQNUSA-N 2 2 247.386 2.617 20 0 BFADLP CC(C)c1ccc(CC[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000345332354 354641498 /nfs/dbraw/zinc/64/14/98/354641498.db2.gz UMTMCDGNOWNQFL-AWEZNQCLSA-N 2 2 248.414 2.892 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353236876 354811641 /nfs/dbraw/zinc/81/16/41/354811641.db2.gz DEFVQDFLQZNFRU-UPJWGTAASA-N 2 2 247.386 2.683 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353236876 354811642 /nfs/dbraw/zinc/81/16/42/354811642.db2.gz DEFVQDFLQZNFRU-UPJWGTAASA-N 2 2 247.386 2.683 20 0 BFADLP CC[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)CC1 ZINC000346271526 354886405 /nfs/dbraw/zinc/88/64/05/354886405.db2.gz DVIMPNBSLRIWEY-AWEZNQCLSA-N 2 2 235.375 2.704 20 0 BFADLP CC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)CC1 ZINC000346271526 354886408 /nfs/dbraw/zinc/88/64/08/354886408.db2.gz DVIMPNBSLRIWEY-AWEZNQCLSA-N 2 2 235.375 2.704 20 0 BFADLP Cc1sccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000383679739 354896689 /nfs/dbraw/zinc/89/66/89/354896689.db2.gz QLOGZVXIALAGRY-UHFFFAOYSA-N 2 2 249.383 2.823 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000346550151 354984218 /nfs/dbraw/zinc/98/42/18/354984218.db2.gz CYHJTEOYEUPJQP-DYEKYZERSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000346550151 354984221 /nfs/dbraw/zinc/98/42/21/354984221.db2.gz CYHJTEOYEUPJQP-DYEKYZERSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)[C@@H](C)C1 ZINC000346797873 355107405 /nfs/dbraw/zinc/10/74/05/355107405.db2.gz LSPFGGTUAUUTLM-QKGCVVFFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)[C@@H](C)C1 ZINC000346797873 355107407 /nfs/dbraw/zinc/10/74/07/355107407.db2.gz LSPFGGTUAUUTLM-QKGCVVFFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)[C@H](C)C1 ZINC000346797871 355107438 /nfs/dbraw/zinc/10/74/38/355107438.db2.gz LSPFGGTUAUUTLM-NIFZNCRKSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)[C@H](C)C1 ZINC000346797871 355107441 /nfs/dbraw/zinc/10/74/41/355107441.db2.gz LSPFGGTUAUUTLM-NIFZNCRKSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346807104 355109990 /nfs/dbraw/zinc/10/99/90/355109990.db2.gz LRYHRKCEIOYACI-GZBFAFLISA-N 2 2 247.386 2.523 20 0 BFADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346807104 355109992 /nfs/dbraw/zinc/10/99/92/355109992.db2.gz LRYHRKCEIOYACI-GZBFAFLISA-N 2 2 247.386 2.523 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000346830796 355129714 /nfs/dbraw/zinc/12/97/14/355129714.db2.gz PDISFAHBOKMOFY-OAHLLOKOSA-N 2 2 246.398 2.821 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000346830796 355129715 /nfs/dbraw/zinc/12/97/15/355129715.db2.gz PDISFAHBOKMOFY-OAHLLOKOSA-N 2 2 246.398 2.821 20 0 BFADLP CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C(C)(C)C ZINC000414130687 191437471 /nfs/dbraw/zinc/43/74/71/191437471.db2.gz XJWQPMDPJKCRFQ-ZDUSSCGKSA-N 2 2 237.391 2.767 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000166294449 355355573 /nfs/dbraw/zinc/35/55/73/355355573.db2.gz KHZAQNBOHBYJMH-QWHCGFSZSA-N 2 2 226.408 2.728 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000166294449 355355577 /nfs/dbraw/zinc/35/55/77/355355577.db2.gz KHZAQNBOHBYJMH-QWHCGFSZSA-N 2 2 226.408 2.728 20 0 BFADLP C[C@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000335808949 355482832 /nfs/dbraw/zinc/48/28/32/355482832.db2.gz MOCNWYRHJNBEMA-NSHDSACASA-N 2 2 247.367 2.776 20 0 BFADLP C[C@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000335808949 355482835 /nfs/dbraw/zinc/48/28/35/355482835.db2.gz MOCNWYRHJNBEMA-NSHDSACASA-N 2 2 247.367 2.776 20 0 BFADLP C[C@H]1CC[N@H+](CC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000335817287 355507963 /nfs/dbraw/zinc/50/79/63/355507963.db2.gz REVLCLMCINODIZ-GXTWGEPZSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@H]1CC[N@@H+](CC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000335817287 355507966 /nfs/dbraw/zinc/50/79/66/355507966.db2.gz REVLCLMCINODIZ-GXTWGEPZSA-N 2 2 233.359 2.566 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CC[C@H](C3CC3)C2)[nH+]1 ZINC000335846666 355589738 /nfs/dbraw/zinc/58/97/38/355589738.db2.gz QNDBMUKZVYBVJT-ZDUSSCGKSA-N 2 2 241.338 2.566 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CC[C@H](C3CC3)C2)[nH+]1 ZINC000335846666 355589740 /nfs/dbraw/zinc/58/97/40/355589740.db2.gz QNDBMUKZVYBVJT-ZDUSSCGKSA-N 2 2 241.338 2.566 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]CC1CCCCCC1)C2 ZINC000336005110 134049124 /nfs/dbraw/zinc/04/91/24/134049124.db2.gz PQFQOKIGDNWYGB-CYBMUJFWSA-N 2 2 247.386 2.827 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]CC1CCCCCC1)CC2 ZINC000336005110 134049125 /nfs/dbraw/zinc/04/91/25/134049125.db2.gz PQFQOKIGDNWYGB-CYBMUJFWSA-N 2 2 247.386 2.827 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000389126924 355710427 /nfs/dbraw/zinc/71/04/27/355710427.db2.gz DGWOMCARDRJMBY-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000389126924 355710429 /nfs/dbraw/zinc/71/04/29/355710429.db2.gz DGWOMCARDRJMBY-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP CC[NH+](CC)CCC[N@@H+]1CCc2ccccc2C1 ZINC000041298401 355874214 /nfs/dbraw/zinc/87/42/14/355874214.db2.gz KOCPOMIHZPMGCY-UHFFFAOYSA-N 2 2 246.398 2.777 20 0 BFADLP CC[NH+](CC)CCC[N@H+]1CCc2ccccc2C1 ZINC000041298401 355874218 /nfs/dbraw/zinc/87/42/18/355874218.db2.gz KOCPOMIHZPMGCY-UHFFFAOYSA-N 2 2 246.398 2.777 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+]CCC2CC2)[C@H]1c1ccccc1 ZINC000352093130 134061772 /nfs/dbraw/zinc/06/17/72/134061772.db2.gz MTZWNKNOEUEHSI-JKSUJKDBSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+]CCC2CC2)[C@H]1c1ccccc1 ZINC000352093130 134061773 /nfs/dbraw/zinc/06/17/73/134061773.db2.gz MTZWNKNOEUEHSI-JKSUJKDBSA-N 2 2 244.382 2.822 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCC1(C)C)[N@H+](C)C1CC1 ZINC000167363535 355985449 /nfs/dbraw/zinc/98/54/49/355985449.db2.gz ULPYCIXYJFBMTN-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCC1(C)C)[N@@H+](C)C1CC1 ZINC000167363535 355985451 /nfs/dbraw/zinc/98/54/51/355985451.db2.gz ULPYCIXYJFBMTN-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000192391205 356183444 /nfs/dbraw/zinc/18/34/44/356183444.db2.gz LYGSLPKUHSCTQQ-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000192391205 356183445 /nfs/dbraw/zinc/18/34/45/356183445.db2.gz LYGSLPKUHSCTQQ-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000087473366 491088900 /nfs/dbraw/zinc/08/89/00/491088900.db2.gz KMQPXAKIAABFGE-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000087473366 491088902 /nfs/dbraw/zinc/08/89/02/491088902.db2.gz KMQPXAKIAABFGE-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC000420295649 192203934 /nfs/dbraw/zinc/20/39/34/192203934.db2.gz CJEHLYDHGJOTTL-NUEKZKHPSA-N 2 2 246.398 2.992 20 0 BFADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC000420295649 192203936 /nfs/dbraw/zinc/20/39/36/192203936.db2.gz CJEHLYDHGJOTTL-NUEKZKHPSA-N 2 2 246.398 2.992 20 0 BFADLP Cc1ccc(C[N@@H+](C[C@@H](C)[NH3+])C2CC2)cc1C ZINC000420298464 192204826 /nfs/dbraw/zinc/20/48/26/192204826.db2.gz HDVJWFKZIUIUER-CYBMUJFWSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@H+](C[C@@H](C)[NH3+])C2CC2)cc1C ZINC000420298464 192204828 /nfs/dbraw/zinc/20/48/28/192204828.db2.gz HDVJWFKZIUIUER-CYBMUJFWSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@@H+](C[C@H](C)[NH3+])C2CC2)cc1C ZINC000420298465 192205042 /nfs/dbraw/zinc/20/50/42/192205042.db2.gz HDVJWFKZIUIUER-ZDUSSCGKSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@H+](C[C@H](C)[NH3+])C2CC2)cc1C ZINC000420298465 192205045 /nfs/dbraw/zinc/20/50/45/192205045.db2.gz HDVJWFKZIUIUER-ZDUSSCGKSA-N 2 2 232.371 2.615 20 0 BFADLP [NH3+][C@H]1CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420273039 192196658 /nfs/dbraw/zinc/19/66/58/192196658.db2.gz MZVPRJBFYLGUJG-ZFWWWQNUSA-N 2 2 248.345 2.626 20 0 BFADLP [NH3+][C@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420273039 192196661 /nfs/dbraw/zinc/19/66/61/192196661.db2.gz MZVPRJBFYLGUJG-ZFWWWQNUSA-N 2 2 248.345 2.626 20 0 BFADLP CCc1ccc(C[N@H+](C[C@@H](C)[NH3+])C2CC2)cc1 ZINC000420295439 192202816 /nfs/dbraw/zinc/20/28/16/192202816.db2.gz AJLKURVSXKBIOG-GFCCVEGCSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1ccc(C[N@@H+](C[C@@H](C)[NH3+])C2CC2)cc1 ZINC000420295439 192202818 /nfs/dbraw/zinc/20/28/18/192202818.db2.gz AJLKURVSXKBIOG-GFCCVEGCSA-N 2 2 232.371 2.561 20 0 BFADLP CCC[N@H+](C[C@@H](C)[NH3+])CC1CCCCC1 ZINC000420327359 192230624 /nfs/dbraw/zinc/23/06/24/192230624.db2.gz YNAOMNWMFVGYNW-GFCCVEGCSA-N 2 2 212.381 2.626 20 0 BFADLP CCC[N@@H+](C[C@@H](C)[NH3+])CC1CCCCC1 ZINC000420327359 192230626 /nfs/dbraw/zinc/23/06/26/192230626.db2.gz YNAOMNWMFVGYNW-GFCCVEGCSA-N 2 2 212.381 2.626 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420357416 192219424 /nfs/dbraw/zinc/21/94/24/192219424.db2.gz DKCPRIBXBBFWQH-SQWLQELKSA-N 2 2 246.398 2.780 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1C ZINC000420357827 192219791 /nfs/dbraw/zinc/21/97/91/192219791.db2.gz DTGJYKRAKMWVEQ-JGGQBBKZSA-N 2 2 246.398 2.780 20 0 BFADLP CCc1cccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000420365467 192223647 /nfs/dbraw/zinc/22/36/47/192223647.db2.gz LDUZTWRGIIOGDO-XJKCOSOUSA-N 2 2 246.398 2.725 20 0 BFADLP CCc1cccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420365464 192223968 /nfs/dbraw/zinc/22/39/68/192223968.db2.gz LDUZTWRGIIOGDO-WOSRLPQWSA-N 2 2 246.398 2.725 20 0 BFADLP C[C@H]([NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000420365743 192224614 /nfs/dbraw/zinc/22/46/14/192224614.db2.gz LLEKSGABRNGBMC-RMRHIDDWSA-N 2 2 232.371 2.724 20 0 BFADLP CCC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1F ZINC000420412091 192239075 /nfs/dbraw/zinc/23/90/75/192239075.db2.gz SBLKKZKKPOFPAQ-ZANVPECISA-N 2 2 242.313 2.743 20 0 BFADLP CCc1ccccc1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420372752 192231331 /nfs/dbraw/zinc/23/13/31/192231331.db2.gz QOEIVKIRVYAOPP-XJKCOSOUSA-N 2 2 246.398 2.725 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H](C)c2cn[nH]c2)c(C)[nH+]1 ZINC000639582400 356502894 /nfs/dbraw/zinc/50/28/94/356502894.db2.gz AMZMNBXXRMDVCI-NSHDSACASA-N 2 2 244.342 2.581 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1C ZINC000336194604 134125421 /nfs/dbraw/zinc/12/54/21/134125421.db2.gz RUMHDHZDWPXVOX-UONOGXRCSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H]1C ZINC000336194604 134125422 /nfs/dbraw/zinc/12/54/22/134125422.db2.gz RUMHDHZDWPXVOX-UONOGXRCSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H]1C ZINC000336194604 134125423 /nfs/dbraw/zinc/12/54/23/134125423.db2.gz RUMHDHZDWPXVOX-UONOGXRCSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H]1C ZINC000336194604 134125424 /nfs/dbraw/zinc/12/54/24/134125424.db2.gz RUMHDHZDWPXVOX-UONOGXRCSA-N 2 2 224.392 2.734 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783206 202035119 /nfs/dbraw/zinc/03/51/19/202035119.db2.gz NITUYKHUTFWAJT-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783206 202035122 /nfs/dbraw/zinc/03/51/22/202035122.db2.gz NITUYKHUTFWAJT-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783208 202035735 /nfs/dbraw/zinc/03/57/35/202035735.db2.gz NITUYKHUTFWAJT-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783208 202035736 /nfs/dbraw/zinc/03/57/36/202035736.db2.gz NITUYKHUTFWAJT-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc(C)c(C[N@@H+](C)[C@@H]2CCCOC2)c(C)[nH+]1 ZINC000639639858 356552557 /nfs/dbraw/zinc/55/25/57/356552557.db2.gz XHDYWXACKDIRNP-CQSZACIVSA-N 2 2 248.370 2.618 20 0 BFADLP Cc1cc(C)c(C[N@H+](C)[C@@H]2CCCOC2)c(C)[nH+]1 ZINC000639639858 356552562 /nfs/dbraw/zinc/55/25/62/356552562.db2.gz XHDYWXACKDIRNP-CQSZACIVSA-N 2 2 248.370 2.618 20 0 BFADLP CC[N@H+](Cc1c(C)cc(C)[nH+]c1C)[C@H]1CCOC1 ZINC000639649889 356562334 /nfs/dbraw/zinc/56/23/34/356562334.db2.gz DEYHSYSYXKQZKS-AWEZNQCLSA-N 2 2 248.370 2.618 20 0 BFADLP CC[N@@H+](Cc1c(C)cc(C)[nH+]c1C)[C@H]1CCOC1 ZINC000639649889 356562338 /nfs/dbraw/zinc/56/23/38/356562338.db2.gz DEYHSYSYXKQZKS-AWEZNQCLSA-N 2 2 248.370 2.618 20 0 BFADLP CCC1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336103018 535322140 /nfs/dbraw/zinc/32/21/40/535322140.db2.gz DRJSPOIFCOEVAW-JXQTWKCFSA-N 2 2 247.386 2.756 20 0 BFADLP CC(C)c1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000623634958 366315815 /nfs/dbraw/zinc/31/58/15/366315815.db2.gz JZRYYJQWKQHDKB-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000623634958 366315819 /nfs/dbraw/zinc/31/58/19/366315819.db2.gz JZRYYJQWKQHDKB-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623635075 366318357 /nfs/dbraw/zinc/31/83/57/366318357.db2.gz SQCDIDITOWGHDX-BPLDGKMQSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623635075 366318361 /nfs/dbraw/zinc/31/83/61/366318361.db2.gz SQCDIDITOWGHDX-BPLDGKMQSA-N 2 2 236.403 2.663 20 0 BFADLP CCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000582252834 356687231 /nfs/dbraw/zinc/68/72/31/356687231.db2.gz TVZSEEHVQTWBTJ-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000450454884 202169073 /nfs/dbraw/zinc/16/90/73/202169073.db2.gz MWIWRGCBYRGXRB-QLFBSQMISA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000450454884 202169077 /nfs/dbraw/zinc/16/90/77/202169077.db2.gz MWIWRGCBYRGXRB-QLFBSQMISA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000450454884 202169081 /nfs/dbraw/zinc/16/90/81/202169081.db2.gz MWIWRGCBYRGXRB-QLFBSQMISA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000450454884 202169085 /nfs/dbraw/zinc/16/90/85/202169085.db2.gz MWIWRGCBYRGXRB-QLFBSQMISA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC(C)(C)C1 ZINC000450461041 202172541 /nfs/dbraw/zinc/17/25/41/202172541.db2.gz TZVGKAAOBMSKPY-AWEZNQCLSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC(C)(C)C1 ZINC000450461041 202172544 /nfs/dbraw/zinc/17/25/44/202172544.db2.gz TZVGKAAOBMSKPY-AWEZNQCLSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC(C)(C)C1 ZINC000450461041 202172547 /nfs/dbraw/zinc/17/25/47/202172547.db2.gz TZVGKAAOBMSKPY-AWEZNQCLSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC(C)(C)C1 ZINC000450461041 202172550 /nfs/dbraw/zinc/17/25/50/202172550.db2.gz TZVGKAAOBMSKPY-AWEZNQCLSA-N 2 2 238.419 2.981 20 0 BFADLP CCc1cccnc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000356910912 356809705 /nfs/dbraw/zinc/80/97/05/356809705.db2.gz ZHQCWZNDZBLIKR-STQMWFEESA-N 2 2 249.402 2.635 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccoc1 ZINC000582295298 357028573 /nfs/dbraw/zinc/02/85/73/357028573.db2.gz SJDHVZVGFQDPGN-GFCCVEGCSA-N 2 2 236.359 2.982 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccoc1 ZINC000582295299 357028590 /nfs/dbraw/zinc/02/85/90/357028590.db2.gz SJDHVZVGFQDPGN-LBPRGKRZSA-N 2 2 236.359 2.982 20 0 BFADLP CC[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000020203986 357001017 /nfs/dbraw/zinc/00/10/17/357001017.db2.gz SLBUAZUBOBTTEV-CQSZACIVSA-N 2 2 248.370 2.731 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CCCC2CCCC2)n1C ZINC000582371793 357115330 /nfs/dbraw/zinc/11/53/30/357115330.db2.gz MGSAKSOREAZUTM-UHFFFAOYSA-N 2 2 235.375 2.789 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000390767675 357116082 /nfs/dbraw/zinc/11/60/82/357116082.db2.gz SFYRTFWOFMZZSF-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000390767675 357116083 /nfs/dbraw/zinc/11/60/83/357116083.db2.gz SFYRTFWOFMZZSF-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP COC[C@H]1CCC[N@@H+]1Cc1c(C)cc(C)[nH+]c1C ZINC000639891021 357211316 /nfs/dbraw/zinc/21/13/16/357211316.db2.gz DYKOXJYCHVSOQA-CQSZACIVSA-N 2 2 248.370 2.618 20 0 BFADLP COC[C@H]1CCC[N@H+]1Cc1c(C)cc(C)[nH+]c1C ZINC000639891021 357211322 /nfs/dbraw/zinc/21/13/22/357211322.db2.gz DYKOXJYCHVSOQA-CQSZACIVSA-N 2 2 248.370 2.618 20 0 BFADLP Cn1c[nH+]cc1CNc1cc[nH+]c2ccsc21 ZINC000357602604 538832201 /nfs/dbraw/zinc/83/22/01/538832201.db2.gz GMVAUJQQDCFDKA-UHFFFAOYSA-N 2 2 244.323 2.642 20 0 BFADLP c1cn(CCCC[NH2+][C@H]2CCCC23CCC3)c[nH+]1 ZINC000394802054 357379765 /nfs/dbraw/zinc/37/97/65/357379765.db2.gz UMGRTEWFWJZAAJ-AWEZNQCLSA-N 2 2 247.386 2.976 20 0 BFADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000230661180 357546585 /nfs/dbraw/zinc/54/65/85/357546585.db2.gz HHRPAQXNCPWKQC-AAVRWANBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000230661180 357546589 /nfs/dbraw/zinc/54/65/89/357546589.db2.gz HHRPAQXNCPWKQC-AAVRWANBSA-N 2 2 236.403 2.637 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189041452 357602130 /nfs/dbraw/zinc/60/21/30/357602130.db2.gz YAXGTYDVOOLWGZ-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189041452 357602133 /nfs/dbraw/zinc/60/21/33/357602133.db2.gz YAXGTYDVOOLWGZ-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000232631491 357669503 /nfs/dbraw/zinc/66/95/03/357669503.db2.gz FTBSLXLYRMTKBZ-HIFRSBDPSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CC[N@H+](C)C(C)C)C1 ZINC000232631491 357669504 /nfs/dbraw/zinc/66/95/04/357669504.db2.gz FTBSLXLYRMTKBZ-HIFRSBDPSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000235285720 357851989 /nfs/dbraw/zinc/85/19/89/357851989.db2.gz UJUFDEQAAQAIAA-YUTCNCBUSA-N 2 2 224.392 2.519 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000235500418 357873286 /nfs/dbraw/zinc/87/32/86/357873286.db2.gz WIZUZYMUHQKRPI-YNEHKIRRSA-N 2 2 235.375 2.686 20 0 BFADLP CC[C@@](C)([NH2+]Cc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000639929126 357904404 /nfs/dbraw/zinc/90/44/04/357904404.db2.gz REWVQXLROSNPLZ-CQSZACIVSA-N 2 2 247.317 2.964 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@]2(C)CCCC[C@@H]2C)n1C ZINC000584540653 358049351 /nfs/dbraw/zinc/04/93/51/358049351.db2.gz GWTUGUMUSSUONX-SMDDNHRTSA-N 2 2 235.375 2.787 20 0 BFADLP CC(C)C[C@@H](C[NH2+]C(C1CC1)C1CC1)[NH+](C)C ZINC000036984103 358054655 /nfs/dbraw/zinc/05/46/55/358054655.db2.gz JAGNFPDAXHOTLQ-AWEZNQCLSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171744987 134260578 /nfs/dbraw/zinc/26/05/78/134260578.db2.gz KDWZGLLPZKEUMW-CQSZACIVSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171744987 134260579 /nfs/dbraw/zinc/26/05/79/134260579.db2.gz KDWZGLLPZKEUMW-CQSZACIVSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172178949 134262365 /nfs/dbraw/zinc/26/23/65/134262365.db2.gz MLHWRYBBSAKLLJ-CQSZACIVSA-N 2 2 224.392 2.737 20 0 BFADLP CCCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000172178949 134262366 /nfs/dbraw/zinc/26/23/66/134262366.db2.gz MLHWRYBBSAKLLJ-CQSZACIVSA-N 2 2 224.392 2.737 20 0 BFADLP C[C@H](C[NH2+]C1CCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000218820633 134265009 /nfs/dbraw/zinc/26/50/09/134265009.db2.gz GUDMXSDFWLSECT-QWHCGFSZSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H](C[NH2+]C1CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000218820633 134265010 /nfs/dbraw/zinc/26/50/10/134265010.db2.gz GUDMXSDFWLSECT-QWHCGFSZSA-N 2 2 224.392 2.782 20 0 BFADLP Cc1ccc[nH+]c1CCCNc1cc[nH+]cc1C ZINC000450725354 202246355 /nfs/dbraw/zinc/24/63/55/202246355.db2.gz QQYSOYZDTKMXJN-UHFFFAOYSA-N 2 2 241.338 2.560 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000389578956 358428495 /nfs/dbraw/zinc/42/84/95/358428495.db2.gz XQQFDPNOQGSGTM-XEZPLFJOSA-N 2 2 244.382 2.919 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000389578956 358428497 /nfs/dbraw/zinc/42/84/97/358428497.db2.gz XQQFDPNOQGSGTM-XEZPLFJOSA-N 2 2 244.382 2.919 20 0 BFADLP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C(C)C)C1 ZINC000125519550 358541292 /nfs/dbraw/zinc/54/12/92/358541292.db2.gz JHMHCVMZSYRFCL-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C(C)C)C1 ZINC000125519550 358541294 /nfs/dbraw/zinc/54/12/94/358541294.db2.gz JHMHCVMZSYRFCL-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044687906 358551755 /nfs/dbraw/zinc/55/17/55/358551755.db2.gz MAUIHPWQXZLTTN-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044687906 358551757 /nfs/dbraw/zinc/55/17/57/358551757.db2.gz MAUIHPWQXZLTTN-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043326487 358536480 /nfs/dbraw/zinc/53/64/80/358536480.db2.gz LKXNEHAALNKGNA-GJZGRUSLSA-N 2 2 232.371 2.869 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@H]2C2CCCCC2)c[nH+]1 ZINC000130703168 358641823 /nfs/dbraw/zinc/64/18/23/358641823.db2.gz LCKXHSVCLOUVRH-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@H]2C2CCCCC2)c[nH+]1 ZINC000130703168 358641825 /nfs/dbraw/zinc/64/18/25/358641825.db2.gz LCKXHSVCLOUVRH-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000053345018 358825040 /nfs/dbraw/zinc/82/50/40/358825040.db2.gz CPSFSDCODAOPFJ-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000053345018 358825046 /nfs/dbraw/zinc/82/50/46/358825046.db2.gz CPSFSDCODAOPFJ-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000069636022 359030357 /nfs/dbraw/zinc/03/03/57/359030357.db2.gz KJQQQGXVFCYQQL-LBPRGKRZSA-N 2 2 238.400 2.803 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070682598 359061910 /nfs/dbraw/zinc/06/19/10/359061910.db2.gz WPOSGIDWUCSXAO-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C ZINC000247041006 359190148 /nfs/dbraw/zinc/19/01/48/359190148.db2.gz WCEFREBRNHVDMO-YIYPIFLZSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1C ZINC000247041006 359190154 /nfs/dbraw/zinc/19/01/54/359190154.db2.gz WCEFREBRNHVDMO-YIYPIFLZSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000246762651 359162896 /nfs/dbraw/zinc/16/28/96/359162896.db2.gz QVEVNDDCSWUANO-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000246762651 359162898 /nfs/dbraw/zinc/16/28/98/359162898.db2.gz QVEVNDDCSWUANO-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C(C)(C)C ZINC000423430753 192766222 /nfs/dbraw/zinc/76/62/22/192766222.db2.gz QCWLZRGJIMUAEA-DOMZBBRYSA-N 2 2 246.398 2.898 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000423458431 192777792 /nfs/dbraw/zinc/77/77/92/192777792.db2.gz GXGNSNFILGABIT-CMPLNLGQSA-N 2 2 232.327 2.821 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423551671 192811418 /nfs/dbraw/zinc/81/14/18/192811418.db2.gz JJEMMQDWEWUKHC-KBPBESRZSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C[N@@H+]1C1CC1 ZINC000379590617 359556349 /nfs/dbraw/zinc/55/63/49/359556349.db2.gz VDRMRVNLIUCKPJ-OCCSQVGLSA-N 2 2 234.387 2.702 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)C[N@H+]1C1CC1 ZINC000379590617 359556352 /nfs/dbraw/zinc/55/63/52/359556352.db2.gz VDRMRVNLIUCKPJ-OCCSQVGLSA-N 2 2 234.387 2.702 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000094275314 360302081 /nfs/dbraw/zinc/30/20/81/360302081.db2.gz JTCAEXPVRRVLSX-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C[C@H]1CC=CCC1)C2 ZINC000093614686 360264428 /nfs/dbraw/zinc/26/44/28/360264428.db2.gz GDZJZGKZWDOBOF-SOUVJXGZSA-N 2 2 234.387 2.511 20 0 BFADLP C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C[C@H]1CC=CCC1)C2 ZINC000093614686 360264430 /nfs/dbraw/zinc/26/44/30/360264430.db2.gz GDZJZGKZWDOBOF-SOUVJXGZSA-N 2 2 234.387 2.511 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C[C@H]1CC=CCC1)C2 ZINC000093614686 360264431 /nfs/dbraw/zinc/26/44/31/360264431.db2.gz GDZJZGKZWDOBOF-SOUVJXGZSA-N 2 2 234.387 2.511 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC000093614686 360264432 /nfs/dbraw/zinc/26/44/32/360264432.db2.gz GDZJZGKZWDOBOF-SOUVJXGZSA-N 2 2 234.387 2.511 20 0 BFADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000097927831 360382414 /nfs/dbraw/zinc/38/24/14/360382414.db2.gz JFKGPTUZQGPHLU-AWEZNQCLSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097928281 360383671 /nfs/dbraw/zinc/38/36/71/360383671.db2.gz YBWAEYMSUGRGJI-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCC2)[C@@H]1C ZINC000097928649 360383852 /nfs/dbraw/zinc/38/38/52/360383852.db2.gz CDEUMAOVLYJJJL-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(C)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000042209198 200655189 /nfs/dbraw/zinc/65/51/89/200655189.db2.gz DFRXWAGTGHVILO-UHFFFAOYSA-N 2 2 243.354 2.680 20 0 BFADLP CC(C)c1[nH+]ccn1Cc1ccc(N(C)C)[nH+]c1 ZINC000629169479 360917074 /nfs/dbraw/zinc/91/70/74/360917074.db2.gz PLKBGXFVTRSTAC-UHFFFAOYSA-N 2 2 244.342 2.516 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c(C)s1 ZINC000629395467 361043411 /nfs/dbraw/zinc/04/34/11/361043411.db2.gz CZNKMXJEDVJGSD-RNCFNFMXSA-N 2 2 238.400 2.595 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C[NH2+]1 ZINC000629394846 361043735 /nfs/dbraw/zinc/04/37/35/361043735.db2.gz MONUQQQAFPUMFF-WCQYABFASA-N 2 2 244.338 2.663 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C[NH2+]1 ZINC000629415417 361061722 /nfs/dbraw/zinc/06/17/22/361061722.db2.gz QDUCYEKQSFEGBL-BLLLJJGKSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C[NH2+]1 ZINC000629415420 361061730 /nfs/dbraw/zinc/06/17/30/361061730.db2.gz QDUCYEKQSFEGBL-WBMJQRKESA-N 2 2 244.382 2.794 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1cccnc1)C(C)C ZINC000629527328 361129169 /nfs/dbraw/zinc/12/91/69/361129169.db2.gz RWFVRZLOGBYZFT-RRFJBIMHSA-N 2 2 247.386 2.509 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cccnc1 ZINC000629527399 361129759 /nfs/dbraw/zinc/12/97/59/361129759.db2.gz UVPZXKBHXWHZOH-RRFJBIMHSA-N 2 2 247.386 2.653 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000629525148 361125565 /nfs/dbraw/zinc/12/55/65/361125565.db2.gz YFYMWQBKLNUQTP-HRCADAONSA-N 2 2 244.382 2.794 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cc(C)oc1C ZINC000629525875 361126736 /nfs/dbraw/zinc/12/67/36/361126736.db2.gz FBSPKMSWCYODDJ-LEWSCRJBSA-N 2 2 236.359 2.688 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1sccc1C ZINC000629525951 361127131 /nfs/dbraw/zinc/12/71/31/361127131.db2.gz HHOKPXUJIGVCBM-GRYCIOLGSA-N 2 2 238.400 2.848 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccsc1 ZINC000629535683 361410248 /nfs/dbraw/zinc/41/02/48/361410248.db2.gz CTBHNHYWRPTZJP-WXHSDQCUSA-N 2 2 238.400 2.929 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccsc1 ZINC000629535663 361410428 /nfs/dbraw/zinc/41/04/28/361410428.db2.gz CTBHNHYWRPTZJP-DRZSPHRISA-N 2 2 238.400 2.929 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c2ccccc21 ZINC000629540996 361415740 /nfs/dbraw/zinc/41/57/40/361415740.db2.gz QJJYGZLCVRAYLH-RSUWNVLCSA-N 2 2 244.382 2.965 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629540875 361415217 /nfs/dbraw/zinc/41/52/17/361415217.db2.gz YDRUBJYQMSKYJK-ZENOOKHLSA-N 2 2 244.382 2.712 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccsc1 ZINC000629535681 361409797 /nfs/dbraw/zinc/40/97/97/361409797.db2.gz CTBHNHYWRPTZJP-UHTWSYAYSA-N 2 2 238.400 2.929 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@H](C)C2 ZINC000629544918 361424647 /nfs/dbraw/zinc/42/46/47/361424647.db2.gz NRALGDGKJOVGKG-NOXHYTERSA-N 2 2 244.382 2.568 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc2ccccc2o1 ZINC000629544758 361424739 /nfs/dbraw/zinc/42/47/39/361424739.db2.gz CHQADWPMVVCEKH-GMXVVIOVSA-N 2 2 244.338 2.834 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CCC2)o1 ZINC000629545856 361426960 /nfs/dbraw/zinc/42/69/60/361426960.db2.gz RVBRDHYUUIHYMO-NJZAAPMLSA-N 2 2 248.370 2.769 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000629546298 361427280 /nfs/dbraw/zinc/42/72/80/361427280.db2.gz RNZLEYVWKZJUKO-KCQAQPDRSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)c1 ZINC000629546375 361427857 /nfs/dbraw/zinc/42/78/57/361427857.db2.gz TYEGUFTXXLGMBP-KCQAQPDRSA-N 2 2 232.371 2.704 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000629549478 361441529 /nfs/dbraw/zinc/44/15/29/361441529.db2.gz WLLBKBWHPJWNBV-YXAMBPQSSA-N 2 2 244.382 2.965 20 0 BFADLP CCSc1cccc(C[N@H+](CC)CC[NH3+])c1 ZINC000629651547 361557460 /nfs/dbraw/zinc/55/74/60/361557460.db2.gz SSWYHKZCGNCDCW-UHFFFAOYSA-N 2 2 238.400 2.579 20 0 BFADLP CCSc1cccc(C[N@@H+](CC)CC[NH3+])c1 ZINC000629651547 361557462 /nfs/dbraw/zinc/55/74/62/361557462.db2.gz SSWYHKZCGNCDCW-UHFFFAOYSA-N 2 2 238.400 2.579 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)C)[N@@H+]1CCCC[C@@H]1C ZINC000163791273 361578437 /nfs/dbraw/zinc/57/84/37/361578437.db2.gz NCDNAAOGMBHSMF-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)C)[N@H+]1CCCC[C@@H]1C ZINC000163791273 361578440 /nfs/dbraw/zinc/57/84/40/361578440.db2.gz NCDNAAOGMBHSMF-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C1=CC[C@H](C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434796478 201241564 /nfs/dbraw/zinc/24/15/64/201241564.db2.gz UILKYJDOHNFATF-GOEBONIOSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@H](C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434796478 201241567 /nfs/dbraw/zinc/24/15/67/201241567.db2.gz UILKYJDOHNFATF-GOEBONIOSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434783806 201240574 /nfs/dbraw/zinc/24/05/74/201240574.db2.gz ILYGUGNAKLLMTB-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434783806 201240578 /nfs/dbraw/zinc/24/05/78/201240578.db2.gz ILYGUGNAKLLMTB-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cc(-c2cccc(C[NH+](C)C)c2)c[nH+]c1N ZINC000629706559 361641548 /nfs/dbraw/zinc/64/15/48/361641548.db2.gz LTBUDGWXWJULJD-UHFFFAOYSA-N 2 2 241.338 2.531 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000435369374 201265443 /nfs/dbraw/zinc/26/54/43/201265443.db2.gz DZWGOOMGOHIIEX-MRXNPFEDSA-N 2 2 246.398 2.646 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000435369374 201265446 /nfs/dbraw/zinc/26/54/46/201265446.db2.gz DZWGOOMGOHIIEX-MRXNPFEDSA-N 2 2 246.398 2.646 20 0 BFADLP CCSc1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000435393081 201268785 /nfs/dbraw/zinc/26/87/85/201268785.db2.gz YSVRIOCFTIRQJJ-LLVKDONJSA-N 2 2 238.400 2.578 20 0 BFADLP CCSc1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000435393081 201268788 /nfs/dbraw/zinc/26/87/88/201268788.db2.gz YSVRIOCFTIRQJJ-LLVKDONJSA-N 2 2 238.400 2.578 20 0 BFADLP [NH3+]C1CCC(Nc2ccc3ccccc3[nH+]2)CC1 ZINC000051694031 181342382 /nfs/dbraw/zinc/34/23/82/181342382.db2.gz ROOQSDIPYHEOBQ-UHFFFAOYSA-N 2 2 241.338 2.917 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154594881 201285207 /nfs/dbraw/zinc/28/52/07/201285207.db2.gz CVYHJPOTTNNGMZ-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154594881 201285211 /nfs/dbraw/zinc/28/52/11/201285211.db2.gz CVYHJPOTTNNGMZ-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1[nH]cc(-c2ccc(F)c(C[NH+](C)C)c2)[nH+]1 ZINC000629738608 361675446 /nfs/dbraw/zinc/67/54/46/361675446.db2.gz PVLJRXZPIRLELY-UHFFFAOYSA-N 2 2 233.290 2.586 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348076439 541303425 /nfs/dbraw/zinc/30/34/25/541303425.db2.gz CZOOJWCQRWYEDA-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccs1 ZINC000398992052 364666998 /nfs/dbraw/zinc/66/69/98/364666998.db2.gz MDLPCQBUFVUYIR-TUAOUCFPSA-N 2 2 238.400 2.929 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@H]1[NH3+] ZINC000251900576 364667427 /nfs/dbraw/zinc/66/74/27/364667427.db2.gz WIQJYEINZPZGIR-WCBMZHEXSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)CC[C@H]1[NH3+] ZINC000251900576 364667432 /nfs/dbraw/zinc/66/74/32/364667432.db2.gz WIQJYEINZPZGIR-WCBMZHEXSA-N 2 2 244.791 2.571 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000399001961 364692257 /nfs/dbraw/zinc/69/22/57/364692257.db2.gz SXICGEBQVUCODR-DLOVCJGASA-N 2 2 238.400 2.848 20 0 BFADLP Cc1ccc2cc[nH+]c(NC[C@H](C)[NH+](C)C)c2c1 ZINC000564903934 364699281 /nfs/dbraw/zinc/69/92/81/364699281.db2.gz DZLJQAQAPGKLOJ-LBPRGKRZSA-N 2 2 243.354 2.905 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000336898043 364852896 /nfs/dbraw/zinc/85/28/96/364852896.db2.gz QBLUJCCMRZEEQM-FZMZJTMJSA-N 2 2 236.334 2.571 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000336898043 364852904 /nfs/dbraw/zinc/85/29/04/364852904.db2.gz QBLUJCCMRZEEQM-FZMZJTMJSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000434754476 541390285 /nfs/dbraw/zinc/39/02/85/541390285.db2.gz GHWBYCOXKSYKKD-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CCC1)[N@H+]1CCC[C@H](C)C1 ZINC000434754476 541390286 /nfs/dbraw/zinc/39/02/86/541390286.db2.gz GHWBYCOXKSYKKD-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H](C)C2)n1C ZINC000573935080 364950425 /nfs/dbraw/zinc/95/04/25/364950425.db2.gz BNWOVEFPQVOJRQ-AAEUAGOBSA-N 2 2 235.375 2.644 20 0 BFADLP C[C@H](CNc1[nH+]ccc2ccccc21)[NH+](C)C ZINC000168658612 364980172 /nfs/dbraw/zinc/98/01/72/364980172.db2.gz BHLOTMDLYUQUKZ-LLVKDONJSA-N 2 2 229.327 2.597 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000574847278 365158441 /nfs/dbraw/zinc/15/84/41/365158441.db2.gz YWWZCYGRBUTISB-ZIAGYGMSSA-N 2 2 236.334 2.803 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1C2CCC1CC2 ZINC000576073619 365475352 /nfs/dbraw/zinc/47/53/52/365475352.db2.gz FPGNTFMUPZDFGB-UHFFFAOYSA-N 2 2 230.355 2.949 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182795835 366942387 /nfs/dbraw/zinc/94/23/87/366942387.db2.gz WORKRQVTEVJVSR-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182795835 366942393 /nfs/dbraw/zinc/94/23/93/366942393.db2.gz WORKRQVTEVJVSR-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@H+](CCCn1cc[nH+]c1)[C@@H](C)C(C)C ZINC000182705194 366933025 /nfs/dbraw/zinc/93/30/25/366933025.db2.gz AQNOZIQZCIEWMA-ZDUSSCGKSA-N 2 2 223.364 2.640 20 0 BFADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@@H](C)C(C)C ZINC000182705194 366933034 /nfs/dbraw/zinc/93/30/34/366933034.db2.gz AQNOZIQZCIEWMA-ZDUSSCGKSA-N 2 2 223.364 2.640 20 0 BFADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@H](C)C1 ZINC000183059596 366972835 /nfs/dbraw/zinc/97/28/35/366972835.db2.gz QQIBWWXWZNWMJI-UONOGXRCSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@H](C)C1 ZINC000183059596 366972842 /nfs/dbraw/zinc/97/28/42/366972842.db2.gz QQIBWWXWZNWMJI-UONOGXRCSA-N 2 2 235.375 2.641 20 0 BFADLP c1cn(CCC[N@H+](C2CC2)C2CCCC2)c[nH+]1 ZINC000183176791 366987920 /nfs/dbraw/zinc/98/79/20/366987920.db2.gz HYUYWDXXYQDZEQ-UHFFFAOYSA-N 2 2 233.359 2.680 20 0 BFADLP c1cn(CCC[N@@H+](C2CC2)C2CCCC2)c[nH+]1 ZINC000183176791 366987923 /nfs/dbraw/zinc/98/79/23/366987923.db2.gz HYUYWDXXYQDZEQ-UHFFFAOYSA-N 2 2 233.359 2.680 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000183182029 366989263 /nfs/dbraw/zinc/98/92/63/366989263.db2.gz LIFKUAYQXJIERB-ILXRZTDVSA-N 2 2 247.386 2.926 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000183182029 366989266 /nfs/dbraw/zinc/98/92/66/366989266.db2.gz LIFKUAYQXJIERB-ILXRZTDVSA-N 2 2 247.386 2.926 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000580803333 367169168 /nfs/dbraw/zinc/16/91/68/367169168.db2.gz GWPSUMDESYNDEU-AGIUHOORSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000580803333 367169172 /nfs/dbraw/zinc/16/91/72/367169172.db2.gz GWPSUMDESYNDEU-AGIUHOORSA-N 2 2 247.386 2.681 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000581245489 367306644 /nfs/dbraw/zinc/30/66/44/367306644.db2.gz CHKRWJOLQFHPMN-WQVCFCJDSA-N 2 2 244.382 2.712 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCCCC1 ZINC000381367271 367388804 /nfs/dbraw/zinc/38/88/04/367388804.db2.gz HDGJAWBJSSFTTO-GXTWGEPZSA-N 2 2 226.408 2.885 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)CC1 ZINC000381732278 367453231 /nfs/dbraw/zinc/45/32/31/367453231.db2.gz NPWHOKBDGMLKLO-CYBMUJFWSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000565849425 325964918 /nfs/dbraw/zinc/96/49/18/325964918.db2.gz MIPUPMPEQFLPCN-GJZGRUSLSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399150858 367658710 /nfs/dbraw/zinc/65/87/10/367658710.db2.gz ZDBIYRRQIITRDG-IPYPFGDCSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1F ZINC000384497708 367694244 /nfs/dbraw/zinc/69/42/44/367694244.db2.gz OFGQPHHHAQDPLY-LBPRGKRZSA-N 2 2 247.317 2.509 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(C)(C)C ZINC000384681498 367715086 /nfs/dbraw/zinc/71/50/86/367715086.db2.gz DTADDSOFGJQUTC-LBPRGKRZSA-N 2 2 214.397 2.743 20 0 BFADLP C[N@H+](Cc1cc(Cl)cs1)C1(C[NH3+])CCC1 ZINC000385272994 367816477 /nfs/dbraw/zinc/81/64/77/367816477.db2.gz AQCGCIRRLDVADC-UHFFFAOYSA-N 2 2 244.791 2.715 20 0 BFADLP C[N@@H+](Cc1cc(Cl)cs1)C1(C[NH3+])CCC1 ZINC000385272994 367816481 /nfs/dbraw/zinc/81/64/81/367816481.db2.gz AQCGCIRRLDVADC-UHFFFAOYSA-N 2 2 244.791 2.715 20 0 BFADLP C[N@H+](Cc1cccc(C2CC2)c1)C1(C[NH3+])CCC1 ZINC000385104774 367790786 /nfs/dbraw/zinc/79/07/86/367790786.db2.gz BSDTWWBLYRHBFI-UHFFFAOYSA-N 2 2 244.382 2.877 20 0 BFADLP C[N@@H+](Cc1cccc(C2CC2)c1)C1(C[NH3+])CCC1 ZINC000385104774 367790794 /nfs/dbraw/zinc/79/07/94/367790794.db2.gz BSDTWWBLYRHBFI-UHFFFAOYSA-N 2 2 244.382 2.877 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000385117822 367795874 /nfs/dbraw/zinc/79/58/74/367795874.db2.gz JUNXPHLNTFNPEL-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000385117822 367795879 /nfs/dbraw/zinc/79/58/79/367795879.db2.gz JUNXPHLNTFNPEL-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[NH+]1CCCCC1 ZINC000385124334 367796936 /nfs/dbraw/zinc/79/69/36/367796936.db2.gz KMDBXRKMNGHJBG-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(C)(C)C ZINC000385181726 367805370 /nfs/dbraw/zinc/80/53/70/367805370.db2.gz PGKOZAOSTLDMSZ-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC(C)(C)C ZINC000385181726 367805373 /nfs/dbraw/zinc/80/53/73/367805373.db2.gz PGKOZAOSTLDMSZ-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1csc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000386053040 367904562 /nfs/dbraw/zinc/90/45/62/367904562.db2.gz VUZPWWDVOQCZQX-DGCLKSJQSA-N 2 2 238.400 2.677 20 0 BFADLP Cc1cscc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386531580 367986947 /nfs/dbraw/zinc/98/69/47/367986947.db2.gz ARVJWUSLFMYLNW-WCQYABFASA-N 2 2 238.400 2.677 20 0 BFADLP Cc1ccsc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386560128 367991846 /nfs/dbraw/zinc/99/18/46/367991846.db2.gz IVWVLZMGSRLAOA-NEPJUHHUSA-N 2 2 238.400 2.677 20 0 BFADLP CC(C)C[NH2+][C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000406095655 368634980 /nfs/dbraw/zinc/63/49/80/368634980.db2.gz FRAVQCYQMGZDNS-INIZCTEOSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[NH2+][C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000406095655 368634987 /nfs/dbraw/zinc/63/49/87/368634987.db2.gz FRAVQCYQMGZDNS-INIZCTEOSA-N 2 2 246.398 2.897 20 0 BFADLP CCCC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000090442029 368981117 /nfs/dbraw/zinc/98/11/17/368981117.db2.gz INOBOJCZMZYRSY-OAHLLOKOSA-N 2 2 232.371 2.651 20 0 BFADLP CCCC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000090442029 368981123 /nfs/dbraw/zinc/98/11/23/368981123.db2.gz INOBOJCZMZYRSY-OAHLLOKOSA-N 2 2 232.371 2.651 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000156709494 326240608 /nfs/dbraw/zinc/24/06/08/326240608.db2.gz VCMJXTMQWKJVHF-DZGCQCFKSA-N 2 2 238.419 2.743 20 0 BFADLP CCC[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459404392 203275119 /nfs/dbraw/zinc/27/51/19/203275119.db2.gz RDZWZFGEDGXOMD-CYBMUJFWSA-N 2 2 235.375 2.617 20 0 BFADLP CCC[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459404392 203275122 /nfs/dbraw/zinc/27/51/22/203275122.db2.gz RDZWZFGEDGXOMD-CYBMUJFWSA-N 2 2 235.375 2.617 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC000156707394 326240769 /nfs/dbraw/zinc/24/07/69/326240769.db2.gz BIBOMCUWNJTERV-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC000156707394 326240771 /nfs/dbraw/zinc/24/07/71/326240771.db2.gz BIBOMCUWNJTERV-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H](C)[C@H](C)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459335788 203260337 /nfs/dbraw/zinc/26/03/37/203260337.db2.gz IQMONCRLDDMBTP-OLZOCXBDSA-N 2 2 249.402 2.862 20 0 BFADLP CC[C@@H](C)[C@H](C)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459335788 203260341 /nfs/dbraw/zinc/26/03/41/203260341.db2.gz IQMONCRLDDMBTP-OLZOCXBDSA-N 2 2 249.402 2.862 20 0 BFADLP CC[C@H](C)[C@H](C)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459335790 203261128 /nfs/dbraw/zinc/26/11/28/203261128.db2.gz IQMONCRLDDMBTP-STQMWFEESA-N 2 2 249.402 2.862 20 0 BFADLP CC[C@H](C)[C@H](C)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459335790 203261132 /nfs/dbraw/zinc/26/11/32/203261132.db2.gz IQMONCRLDDMBTP-STQMWFEESA-N 2 2 249.402 2.862 20 0 BFADLP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459339838 203261249 /nfs/dbraw/zinc/26/12/49/203261249.db2.gz ASTNMYLGAYDKLE-UKRRQHHQSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@@H](C)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459339838 203261251 /nfs/dbraw/zinc/26/12/51/203261251.db2.gz ASTNMYLGAYDKLE-UKRRQHHQSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@H](C)[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459343924 203262136 /nfs/dbraw/zinc/26/21/36/203262136.db2.gz QWRJKIXCZWUDKG-DZGCQCFKSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@H](C)[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459343924 203262141 /nfs/dbraw/zinc/26/21/41/203262141.db2.gz QWRJKIXCZWUDKG-DZGCQCFKSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)[N@H+](CCc1c[nH+]cn1C)C1CC(C)(C)C1 ZINC000459521495 203295743 /nfs/dbraw/zinc/29/57/43/203295743.db2.gz UJFQRDBQPUHCCU-UHFFFAOYSA-N 2 2 249.402 2.862 20 0 BFADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)C1CC(C)(C)C1 ZINC000459521495 203295746 /nfs/dbraw/zinc/29/57/46/203295746.db2.gz UJFQRDBQPUHCCU-UHFFFAOYSA-N 2 2 249.402 2.862 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCCCOC(C)(C)C ZINC000459559874 203302331 /nfs/dbraw/zinc/30/23/31/203302331.db2.gz MVKKNXCDHNLQAR-UHFFFAOYSA-N 2 2 244.423 2.512 20 0 BFADLP CCC1(C)CCC([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000459658903 203330324 /nfs/dbraw/zinc/33/03/24/203330324.db2.gz JKFRSRAGTAEDOS-UHFFFAOYSA-N 2 2 249.402 2.911 20 0 BFADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000459657636 203331405 /nfs/dbraw/zinc/33/14/05/203331405.db2.gz NWQDLOCWZOHQHI-GUIRCDHDSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000459657636 203331410 /nfs/dbraw/zinc/33/14/10/203331410.db2.gz NWQDLOCWZOHQHI-GUIRCDHDSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459668852 203332643 /nfs/dbraw/zinc/33/26/43/203332643.db2.gz UNFJDSIUFZRTDS-CYBMUJFWSA-N 2 2 237.391 2.767 20 0 BFADLP CCCc1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000620125027 369741052 /nfs/dbraw/zinc/74/10/52/369741052.db2.gz IHISQBGMEOGNNR-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000620125027 369741055 /nfs/dbraw/zinc/74/10/55/369741055.db2.gz IHISQBGMEOGNNR-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP Cc1cccn2c(C[NH2+]CC3CC(C)C3)c[nH+]c12 ZINC000621383496 370327018 /nfs/dbraw/zinc/32/70/18/370327018.db2.gz JKRFCQXPDMROPQ-UHFFFAOYSA-N 2 2 243.354 2.778 20 0 BFADLP C[C@H](c1ccccc1F)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779660 370528952 /nfs/dbraw/zinc/52/89/52/370528952.db2.gz HSCQSMIKKKZLHY-LALPHHSUSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1ccccc1F)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779660 370528957 /nfs/dbraw/zinc/52/89/57/370528957.db2.gz HSCQSMIKKKZLHY-LALPHHSUSA-N 2 2 248.345 2.700 20 0 BFADLP CC[C@H]([NH2+]CC[NH+](C)C)c1cc(C)ccc1C ZINC000623983778 371216618 /nfs/dbraw/zinc/21/66/18/371216618.db2.gz LSURFMMOWDHFKX-HNNXBMFYSA-N 2 2 234.387 2.906 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101156 371306449 /nfs/dbraw/zinc/30/64/49/371306449.db2.gz MSQULFSZUMJIAX-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101156 371306458 /nfs/dbraw/zinc/30/64/58/371306458.db2.gz MSQULFSZUMJIAX-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000624101297 371308155 /nfs/dbraw/zinc/30/81/55/371308155.db2.gz YVDRNQMNERSSCH-QLFBSQMISA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000624101297 371308158 /nfs/dbraw/zinc/30/81/58/371308158.db2.gz YVDRNQMNERSSCH-QLFBSQMISA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000624272060 371452631 /nfs/dbraw/zinc/45/26/31/371452631.db2.gz VFVJBJWKANTEAE-HEHGZKQESA-N 2 2 244.382 2.919 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC000624272060 371452635 /nfs/dbraw/zinc/45/26/35/371452635.db2.gz VFVJBJWKANTEAE-HEHGZKQESA-N 2 2 244.382 2.919 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000624270502 371452993 /nfs/dbraw/zinc/45/29/93/371452993.db2.gz YVDRNQMNERSSCH-RRFJBIMHSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000624270502 371452998 /nfs/dbraw/zinc/45/29/98/371452998.db2.gz YVDRNQMNERSSCH-RRFJBIMHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624271985 371453440 /nfs/dbraw/zinc/45/34/40/371453440.db2.gz QKRLCQDGBXVJPD-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624271985 371453444 /nfs/dbraw/zinc/45/34/44/371453444.db2.gz QKRLCQDGBXVJPD-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CC(C)(C)C ZINC000163938919 372078769 /nfs/dbraw/zinc/07/87/69/372078769.db2.gz CPELVKTTXZWMGT-BETUJISGSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CC(C)(C)C ZINC000163938919 372078773 /nfs/dbraw/zinc/07/87/73/372078773.db2.gz CPELVKTTXZWMGT-BETUJISGSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000307618931 372131798 /nfs/dbraw/zinc/13/17/98/372131798.db2.gz VJAHYUKTNQTVPT-HIFRSBDPSA-N 2 2 232.371 2.649 20 0 BFADLP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000307618931 372131802 /nfs/dbraw/zinc/13/18/02/372131802.db2.gz VJAHYUKTNQTVPT-HIFRSBDPSA-N 2 2 232.371 2.649 20 0 BFADLP CCC(C)(C)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000631222217 372244941 /nfs/dbraw/zinc/24/49/41/372244941.db2.gz UPESXLCSXJHHAC-UHFFFAOYSA-N 2 2 223.364 2.644 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000631736413 372538018 /nfs/dbraw/zinc/53/80/18/372538018.db2.gz JTUPTKKKKADBTK-GZBFAFLISA-N 2 2 232.371 2.596 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000631736413 372538025 /nfs/dbraw/zinc/53/80/25/372538025.db2.gz JTUPTKKKKADBTK-GZBFAFLISA-N 2 2 232.371 2.596 20 0 BFADLP CC(C)=CCC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835458 372616785 /nfs/dbraw/zinc/61/67/85/372616785.db2.gz VEGNMEIZZKYXPO-ZDUSSCGKSA-N 2 2 210.365 2.546 20 0 BFADLP CC(C)=CCC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835458 372616791 /nfs/dbraw/zinc/61/67/91/372616791.db2.gz VEGNMEIZZKYXPO-ZDUSSCGKSA-N 2 2 210.365 2.546 20 0 BFADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171828511 372786019 /nfs/dbraw/zinc/78/60/19/372786019.db2.gz JGIMGSRWDZZBAS-CQSZACIVSA-N 2 2 238.419 2.983 20 0 BFADLP CC(C)(C)CC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171828511 372786024 /nfs/dbraw/zinc/78/60/24/372786024.db2.gz JGIMGSRWDZZBAS-CQSZACIVSA-N 2 2 238.419 2.983 20 0 BFADLP CC[N@H+](CC[NH2+]C[C@H](C)c1ccccc1)C1CC1 ZINC000194320270 206088766 /nfs/dbraw/zinc/08/87/66/206088766.db2.gz NBWZJTAYZGLQMP-AWEZNQCLSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@@H+](CC[NH2+]C[C@H](C)c1ccccc1)C1CC1 ZINC000194320270 206088770 /nfs/dbraw/zinc/08/87/70/206088770.db2.gz NBWZJTAYZGLQMP-AWEZNQCLSA-N 2 2 246.398 2.864 20 0 BFADLP Cn1c[nH+]cc1CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000459374357 206125127 /nfs/dbraw/zinc/12/51/27/206125127.db2.gz LGDWXEWAEXJPTE-UHFFFAOYSA-N 2 2 249.402 2.721 20 0 BFADLP CCC[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346223900 169082012 /nfs/dbraw/zinc/08/20/12/169082012.db2.gz VAQPILBHGAUETL-UHFFFAOYSA-N 2 2 235.356 2.776 20 0 BFADLP CCC[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346223900 169082015 /nfs/dbraw/zinc/08/20/15/169082015.db2.gz VAQPILBHGAUETL-UHFFFAOYSA-N 2 2 235.356 2.776 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1ccc2ccccc2c1 ZINC000228718441 169259485 /nfs/dbraw/zinc/25/94/85/169259485.db2.gz REQKBIOQHPQEDY-UHFFFAOYSA-N 2 2 242.366 2.929 20 0 BFADLP c1[nH]c(C[NH2+]C2(c3ccccc3)CCC2)c[nH+]1 ZINC000171133559 183389313 /nfs/dbraw/zinc/38/93/13/183389313.db2.gz MRZRXARYKAOJOW-UHFFFAOYSA-N 2 2 227.311 2.579 20 0 BFADLP c1cn(C2CC[NH+](Cc3ccccc3)CC2)c[nH+]1 ZINC000111243389 183397132 /nfs/dbraw/zinc/39/71/32/183397132.db2.gz DIJDIFFPOFUMCF-UHFFFAOYSA-N 2 2 241.338 2.720 20 0 BFADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000036904522 183399385 /nfs/dbraw/zinc/39/93/85/183399385.db2.gz RWVRDKZTVUJRMR-MRXNPFEDSA-N 2 2 244.382 2.651 20 0 BFADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]CC3CC3)C2)cc1 ZINC000036904522 183399389 /nfs/dbraw/zinc/39/93/89/183399389.db2.gz RWVRDKZTVUJRMR-MRXNPFEDSA-N 2 2 244.382 2.651 20 0 BFADLP CCC[C@@H](C)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376730776 169360066 /nfs/dbraw/zinc/36/00/66/169360066.db2.gz ZGRWYQQNGWAZPZ-GFCCVEGCSA-N 2 2 235.375 2.745 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028694 169360178 /nfs/dbraw/zinc/36/01/78/169360178.db2.gz ODHHEYJPDLBYRG-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037153836 169371217 /nfs/dbraw/zinc/37/12/17/169371217.db2.gz GPECCZFAHFPRCW-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000222022745 134329143 /nfs/dbraw/zinc/32/91/43/134329143.db2.gz DHQOCCXTTLHPIS-QWHCGFSZSA-N 2 2 212.381 2.624 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000222022745 134329144 /nfs/dbraw/zinc/32/91/44/134329144.db2.gz DHQOCCXTTLHPIS-QWHCGFSZSA-N 2 2 212.381 2.624 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](C[C@H](C)CC2CCCCC2)C1 ZINC000469839144 532970401 /nfs/dbraw/zinc/97/04/01/532970401.db2.gz SBXBTOKGKHLWKU-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](C[C@H](C)CC2CCCCC2)C1 ZINC000469839144 532970404 /nfs/dbraw/zinc/97/04/04/532970404.db2.gz SBXBTOKGKHLWKU-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000036960146 383920347 /nfs/dbraw/zinc/92/03/47/383920347.db2.gz BHCBFDWXYCSRRI-FUDCBSFHSA-N 2 2 248.370 2.864 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000036960146 383920353 /nfs/dbraw/zinc/92/03/53/383920353.db2.gz BHCBFDWXYCSRRI-FUDCBSFHSA-N 2 2 248.370 2.864 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H](C)C1 ZINC000401770781 383981485 /nfs/dbraw/zinc/98/14/85/383981485.db2.gz JIIVRHFKTLYVTA-BNOWGMLFSA-N 2 2 232.371 2.644 20 0 BFADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000037140992 383944351 /nfs/dbraw/zinc/94/43/51/383944351.db2.gz UMTTZRVXVZRHFU-LLVKDONJSA-N 2 2 234.343 2.557 20 0 BFADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1F ZINC000037248902 383963625 /nfs/dbraw/zinc/96/36/25/383963625.db2.gz YGZIURNDEPMMHZ-LLVKDONJSA-N 2 2 236.334 2.571 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000069636826 384055581 /nfs/dbraw/zinc/05/55/81/384055581.db2.gz AXFHGNBOVZWUGL-LLVKDONJSA-N 2 2 235.356 2.604 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000020525487 384059542 /nfs/dbraw/zinc/05/95/42/384059542.db2.gz MEQVBULIYLNYEG-OAHLLOKOSA-N 2 2 246.398 2.950 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CCCC(C)(C)C)n1C ZINC000569501426 384132698 /nfs/dbraw/zinc/13/26/98/384132698.db2.gz DQAWDFHJJSTWQA-UHFFFAOYSA-N 2 2 223.364 2.644 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000560470194 384156082 /nfs/dbraw/zinc/15/60/82/384156082.db2.gz HPHIHYFCERXPSC-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000560470194 384156085 /nfs/dbraw/zinc/15/60/85/384156085.db2.gz HPHIHYFCERXPSC-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP Cc1cc(C)c(C[NH2+]CCn2cc[nH+]c2)c(C)c1 ZINC000041063294 384176687 /nfs/dbraw/zinc/17/66/87/384176687.db2.gz SSAMNNHRIZAPEQ-UHFFFAOYSA-N 2 2 243.354 2.598 20 0 BFADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041119186 384178402 /nfs/dbraw/zinc/17/84/02/384178402.db2.gz STVSGZBJUIXIPE-CQSZACIVSA-N 2 2 229.327 2.624 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313287843 384236600 /nfs/dbraw/zinc/23/66/00/384236600.db2.gz XWGAOUOEQGUADU-NSHDSACASA-N 2 2 249.383 2.683 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000289326391 384225878 /nfs/dbraw/zinc/22/58/78/384225878.db2.gz VFVJBJWKANTEAE-IOASZLSFSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc21 ZINC000289326391 384225886 /nfs/dbraw/zinc/22/58/86/384225886.db2.gz VFVJBJWKANTEAE-IOASZLSFSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000235516225 384259449 /nfs/dbraw/zinc/25/94/49/384259449.db2.gz DOBGFQTVUGOUQS-GXFFZTMASA-N 2 2 238.762 2.743 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000095068343 384330464 /nfs/dbraw/zinc/33/04/64/384330464.db2.gz OIKCKHOXSPKPCG-GHMZBOCLSA-N 2 2 224.373 2.541 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000075937999 384393442 /nfs/dbraw/zinc/39/34/42/384393442.db2.gz BAFIHEZSRHIXBM-HNNXBMFYSA-N 2 2 238.419 2.983 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000075937999 384393450 /nfs/dbraw/zinc/39/34/50/384393450.db2.gz BAFIHEZSRHIXBM-HNNXBMFYSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000448022844 384475022 /nfs/dbraw/zinc/47/50/22/384475022.db2.gz QDVZQAMMMSURLH-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000448022844 384475026 /nfs/dbraw/zinc/47/50/26/384475026.db2.gz QDVZQAMMMSURLH-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000149371519 384480994 /nfs/dbraw/zinc/48/09/94/384480994.db2.gz CCUMMBIGXKFYBV-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cc(C)c([C@H](C)[NH2+]CC[NH+](C)C)cc1C ZINC000020083641 384573382 /nfs/dbraw/zinc/57/33/82/384573382.db2.gz DZQDTXVGYMGGAK-AWEZNQCLSA-N 2 2 234.387 2.824 20 0 BFADLP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C)c1 ZINC000040500886 384579148 /nfs/dbraw/zinc/57/91/48/384579148.db2.gz YWRYUAHYVAIGJF-LSDHHAIUSA-N 2 2 248.414 2.856 20 0 BFADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccco1 ZINC000020128785 384582796 /nfs/dbraw/zinc/58/27/96/384582796.db2.gz VQUMJOOZWNJUPE-CYBMUJFWSA-N 2 2 236.359 2.806 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1C(C)(C)C1(C)C)[NH+](C)C ZINC000309756082 384585730 /nfs/dbraw/zinc/58/57/30/384585730.db2.gz LOBMHWJKDAHVAW-MNOVXSKESA-N 2 2 226.408 2.597 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@H]2C)c[nH+]1 ZINC000309785543 384609390 /nfs/dbraw/zinc/60/93/90/384609390.db2.gz NWZSQEMXRVVUII-BXUZGUMPSA-N 2 2 218.344 2.711 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000309804918 384633008 /nfs/dbraw/zinc/63/30/08/384633008.db2.gz RXCXKCFHULRUKU-VHRBIJSZSA-N 2 2 218.344 2.567 20 0 BFADLP CC/C=C/CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000184606232 384627091 /nfs/dbraw/zinc/62/70/91/384627091.db2.gz AAHKFSNSABYZJT-ONEGZZNKSA-N 2 2 233.359 2.876 20 0 BFADLP C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000162227253 384591679 /nfs/dbraw/zinc/59/16/79/384591679.db2.gz PVEWMGSKAKPXIO-UHFFFAOYSA-N 2 2 249.745 2.669 20 0 BFADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Cl)cc1 ZINC000162227253 384591684 /nfs/dbraw/zinc/59/16/84/384591684.db2.gz PVEWMGSKAKPXIO-UHFFFAOYSA-N 2 2 249.745 2.669 20 0 BFADLP CC[C@H]1CCC[C@H](C[NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000310039328 384598798 /nfs/dbraw/zinc/59/87/98/384598798.db2.gz WXRQXTYKGDRCKW-IHRRRGAJSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+]C3CC(C)C3)cn21 ZINC000647363652 384666803 /nfs/dbraw/zinc/66/68/03/384666803.db2.gz GFVDZPMUJBTRLI-UHFFFAOYSA-N 2 2 243.354 2.573 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[NH+](CC)CC ZINC000042579402 384641646 /nfs/dbraw/zinc/64/16/46/384641646.db2.gz AQSUKZBQWSGNQU-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000309823845 384643420 /nfs/dbraw/zinc/64/34/20/384643420.db2.gz GWXGZPROFNFGFL-NWDGAFQWSA-N 2 2 226.408 2.598 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000309823845 384643426 /nfs/dbraw/zinc/64/34/26/384643426.db2.gz GWXGZPROFNFGFL-NWDGAFQWSA-N 2 2 226.408 2.598 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000185141579 384685447 /nfs/dbraw/zinc/68/54/47/384685447.db2.gz STHYWODEDDDUAY-HUUCEWRRSA-N 2 2 247.386 2.607 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccnc1 ZINC000185141579 384685457 /nfs/dbraw/zinc/68/54/57/384685457.db2.gz STHYWODEDDDUAY-HUUCEWRRSA-N 2 2 247.386 2.607 20 0 BFADLP CCC(CC)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364919 384694591 /nfs/dbraw/zinc/69/45/91/384694591.db2.gz RVEVUXBZVPMINL-UHFFFAOYSA-N 2 2 245.370 2.963 20 0 BFADLP CC[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162894935 384701981 /nfs/dbraw/zinc/70/19/81/384701981.db2.gz YFMOUFQLBHGYAJ-GFCCVEGCSA-N 2 2 221.348 2.662 20 0 BFADLP C[NH+](C)CC[NH2+]C1CCC(c2ccccc2)CC1 ZINC000021953796 384710738 /nfs/dbraw/zinc/71/07/38/384710738.db2.gz WLTHFUUVIVQQAG-UHFFFAOYSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548869 384741131 /nfs/dbraw/zinc/74/11/31/384741131.db2.gz YXGSZUAONRHRCK-DMEJVMROSA-N 2 2 244.382 2.508 20 0 BFADLP Nc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000052722075 384745411 /nfs/dbraw/zinc/74/54/11/384745411.db2.gz CTUBTFOQMVKOIB-KBPBESRZSA-N 2 2 245.370 2.818 20 0 BFADLP Nc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000052722075 384745418 /nfs/dbraw/zinc/74/54/18/384745418.db2.gz CTUBTFOQMVKOIB-KBPBESRZSA-N 2 2 245.370 2.818 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000309962939 384751860 /nfs/dbraw/zinc/75/18/60/384751860.db2.gz MFDRIIISZSEIMA-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]([NH2+]CC1CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185683543 384758819 /nfs/dbraw/zinc/75/88/19/384758819.db2.gz UPMJLNJJFUJYRK-DOMZBBRYSA-N 2 2 232.371 2.677 20 0 BFADLP c1cc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cs1 ZINC000647553943 384767829 /nfs/dbraw/zinc/76/78/29/384767829.db2.gz NPIDSEYPAKJJIO-LBPRGKRZSA-N 2 2 236.384 2.512 20 0 BFADLP CC[N@H+](C)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000054110596 384820922 /nfs/dbraw/zinc/82/09/22/384820922.db2.gz SLKPSQYURVIPNM-AWEZNQCLSA-N 2 2 234.387 2.722 20 0 BFADLP CC[N@@H+](C)CC[NH2+]CC[C@H](C)c1ccccc1 ZINC000054110596 384820925 /nfs/dbraw/zinc/82/09/25/384820925.db2.gz SLKPSQYURVIPNM-AWEZNQCLSA-N 2 2 234.387 2.722 20 0 BFADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000053345132 384782080 /nfs/dbraw/zinc/78/20/80/384782080.db2.gz SMHVPXJFHNRQBF-ZDUSSCGKSA-N 2 2 232.371 2.507 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000053345132 384782085 /nfs/dbraw/zinc/78/20/85/384782085.db2.gz SMHVPXJFHNRQBF-ZDUSSCGKSA-N 2 2 232.371 2.507 20 0 BFADLP CCC1CC([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC000310019126 384787663 /nfs/dbraw/zinc/78/76/63/384787663.db2.gz MIPJYZGRMQUOLQ-IYXRBSQSSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@@H]1C ZINC000309746434 384791376 /nfs/dbraw/zinc/79/13/76/384791376.db2.gz FSNKEPPFLDJFSW-JSGCOSHPSA-N 2 2 218.344 2.711 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000363783165 384836190 /nfs/dbraw/zinc/83/61/90/384836190.db2.gz IZKPLGJOJKAASA-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000363783165 384836194 /nfs/dbraw/zinc/83/61/94/384836194.db2.gz IZKPLGJOJKAASA-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000175011511 384859520 /nfs/dbraw/zinc/85/95/20/384859520.db2.gz LDBPTZZUIWBCQC-CHWSQXEVSA-N 2 2 236.359 2.550 20 0 BFADLP CC(C)Cc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000258989109 384957525 /nfs/dbraw/zinc/95/75/25/384957525.db2.gz VPMWFLXRPHJCLG-MRXNPFEDSA-N 2 2 246.398 2.727 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)[NH+](C)C ZINC000309286633 384894635 /nfs/dbraw/zinc/89/46/35/384894635.db2.gz GOKKRDGJRXNBDZ-IGQOVBAYSA-N 2 2 226.408 2.597 20 0 BFADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC1(C)C ZINC000564472531 384895955 /nfs/dbraw/zinc/89/59/55/384895955.db2.gz YGTKVYNYJJPRJI-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC000161193033 384906487 /nfs/dbraw/zinc/90/64/87/384906487.db2.gz RLHFCYDMBHKFDH-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC000161193033 384906492 /nfs/dbraw/zinc/90/64/92/384906492.db2.gz RLHFCYDMBHKFDH-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000294500021 384906534 /nfs/dbraw/zinc/90/65/34/384906534.db2.gz ZKGDTBHGRPXJCS-OLZOCXBDSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000294500021 384906538 /nfs/dbraw/zinc/90/65/38/384906538.db2.gz ZKGDTBHGRPXJCS-OLZOCXBDSA-N 2 2 238.400 2.883 20 0 BFADLP CCCc1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000187096614 384907788 /nfs/dbraw/zinc/90/77/88/384907788.db2.gz VZNVWIBGVGZYST-UHFFFAOYSA-N 2 2 243.354 2.625 20 0 BFADLP CC[N@H+](CC[NH2+]C[C@H](C)CC(C)C)C1CC1 ZINC000300833093 384964898 /nfs/dbraw/zinc/96/48/98/384964898.db2.gz CGQZMBYOQRBART-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](CC[NH2+]C[C@H](C)CC(C)C)C1CC1 ZINC000300833093 384964903 /nfs/dbraw/zinc/96/49/03/384964903.db2.gz CGQZMBYOQRBART-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP CC1(C)CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000094308335 384977589 /nfs/dbraw/zinc/97/75/89/384977589.db2.gz CWSDEIVYENQVKL-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@H]1CCCC[C@@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000401621087 385050637 /nfs/dbraw/zinc/05/06/37/385050637.db2.gz RFMODPJWIRATLQ-UONOGXRCSA-N 2 2 249.402 2.769 20 0 BFADLP Cc1ccoc1C[NH2+]Cc1c[nH+]cn1C(C)C ZINC000310468718 385080834 /nfs/dbraw/zinc/08/08/34/385080834.db2.gz AQBOQAGJMDBXSG-UHFFFAOYSA-N 2 2 233.315 2.655 20 0 BFADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000423553050 385027259 /nfs/dbraw/zinc/02/72/59/385027259.db2.gz KCTHLBFONUJOKE-UKRRQHHQSA-N 2 2 248.345 2.545 20 0 BFADLP C(=C/c1ccccc1)\C[NH2+]CC[N@H+]1CC=CCC1 ZINC000279665354 385169608 /nfs/dbraw/zinc/16/96/08/385169608.db2.gz GYIVMDFIDHTJKX-JXMROGBWSA-N 2 2 242.366 2.551 20 0 BFADLP C(=C/c1ccccc1)\C[NH2+]CC[N@@H+]1CC=CCC1 ZINC000279665354 385169615 /nfs/dbraw/zinc/16/96/15/385169615.db2.gz GYIVMDFIDHTJKX-JXMROGBWSA-N 2 2 242.366 2.551 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000178080379 385180653 /nfs/dbraw/zinc/18/06/53/385180653.db2.gz YDTVCMIZNPVGPW-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000178080379 385180656 /nfs/dbraw/zinc/18/06/56/385180656.db2.gz YDTVCMIZNPVGPW-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000177256112 385209615 /nfs/dbraw/zinc/20/96/15/385209615.db2.gz RSUPHECTIPUPJK-LLVKDONJSA-N 2 2 243.354 2.884 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C2CCC2)C1 ZINC000449485748 385202646 /nfs/dbraw/zinc/20/26/46/385202646.db2.gz OOBFPSYRVJUHND-OCCSQVGLSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C2CCC2)C1 ZINC000449485748 385202653 /nfs/dbraw/zinc/20/26/53/385202653.db2.gz OOBFPSYRVJUHND-OCCSQVGLSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C1CC1 ZINC000177238450 385204989 /nfs/dbraw/zinc/20/49/89/385204989.db2.gz MCAZHLRUVBVIBC-BBRMVZONSA-N 2 2 246.398 2.547 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000019843411 385296949 /nfs/dbraw/zinc/29/69/49/385296949.db2.gz JGTUHFCSCANORI-SECBINFHSA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000019843411 385296959 /nfs/dbraw/zinc/29/69/59/385296959.db2.gz JGTUHFCSCANORI-SECBINFHSA-N 2 2 244.791 2.572 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000193131458 385385375 /nfs/dbraw/zinc/38/53/75/385385375.db2.gz HSIVGWOMKRDQMJ-YRGRVCCFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000193131458 385385380 /nfs/dbraw/zinc/38/53/80/385385380.db2.gz HSIVGWOMKRDQMJ-YRGRVCCFSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000364489651 385470819 /nfs/dbraw/zinc/47/08/19/385470819.db2.gz HFCUGINRUKWWCN-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000364489651 385470827 /nfs/dbraw/zinc/47/08/27/385470827.db2.gz HFCUGINRUKWWCN-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000171940747 385535279 /nfs/dbraw/zinc/53/52/79/385535279.db2.gz JLYPBPIMBAWFKO-CQSZACIVSA-N 2 2 249.402 2.806 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000171940747 385535280 /nfs/dbraw/zinc/53/52/80/385535280.db2.gz JLYPBPIMBAWFKO-CQSZACIVSA-N 2 2 249.402 2.806 20 0 BFADLP CC[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180708483 385540284 /nfs/dbraw/zinc/54/02/84/385540284.db2.gz MFAMCEHURDCIRP-LBPRGKRZSA-N 2 2 229.327 2.566 20 0 BFADLP CC[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180708483 385540290 /nfs/dbraw/zinc/54/02/90/385540290.db2.gz MFAMCEHURDCIRP-LBPRGKRZSA-N 2 2 229.327 2.566 20 0 BFADLP C1CC2(C1)CC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000337379905 385622055 /nfs/dbraw/zinc/62/20/55/385622055.db2.gz CVRHPKUVJBAJEL-DZGCQCFKSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC[C@H]2[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000337379905 385622063 /nfs/dbraw/zinc/62/20/63/385622063.db2.gz CVRHPKUVJBAJEL-DZGCQCFKSA-N 2 2 248.414 2.926 20 0 BFADLP CCC[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000337340164 385608972 /nfs/dbraw/zinc/60/89/72/385608972.db2.gz SJBSCSCKJVNTAG-UONOGXRCSA-N 2 2 224.392 2.735 20 0 BFADLP CCC[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000337340164 385608975 /nfs/dbraw/zinc/60/89/75/385608975.db2.gz SJBSCSCKJVNTAG-UONOGXRCSA-N 2 2 224.392 2.735 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCC12CCC2)[NH+](C)C ZINC000337385840 385637983 /nfs/dbraw/zinc/63/79/83/385637983.db2.gz HQFQMPVFOXWBGM-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CNc1ccc2ccccc2[nH+]1)C[NH+](C)C ZINC000291784860 385698332 /nfs/dbraw/zinc/69/83/32/385698332.db2.gz IIZVGEJMCSOHDR-LBPRGKRZSA-N 2 2 243.354 2.844 20 0 BFADLP CC[N@@H+](CCc1cccs1)CCn1cc[nH+]c1 ZINC000270809373 385748874 /nfs/dbraw/zinc/74/88/74/385748874.db2.gz HEVADTXSVZSUGB-UHFFFAOYSA-N 2 2 249.383 2.509 20 0 BFADLP CC[N@H+](CCc1cccs1)CCn1cc[nH+]c1 ZINC000270809373 385748875 /nfs/dbraw/zinc/74/88/75/385748875.db2.gz HEVADTXSVZSUGB-UHFFFAOYSA-N 2 2 249.383 2.509 20 0 BFADLP CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+](C)C ZINC000309673005 385786608 /nfs/dbraw/zinc/78/66/08/385786608.db2.gz KRXBNZWLGYCYJP-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H](C)CCC1CC1)C1CC1 ZINC000186308314 385755351 /nfs/dbraw/zinc/75/53/51/385755351.db2.gz AOSGPLZWQVOFRL-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H](C)CCC1CC1)C1CC1 ZINC000186308314 385755354 /nfs/dbraw/zinc/75/53/54/385755354.db2.gz AOSGPLZWQVOFRL-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[N@H+](C)CCn1cc[nH+]c1)c1ccccc1 ZINC000270916609 385760068 /nfs/dbraw/zinc/76/00/68/385760068.db2.gz UKKHMKJBGMADBX-CQSZACIVSA-N 2 2 243.354 2.619 20 0 BFADLP C[C@H](C[N@@H+](C)CCn1cc[nH+]c1)c1ccccc1 ZINC000270916609 385760071 /nfs/dbraw/zinc/76/00/71/385760071.db2.gz UKKHMKJBGMADBX-CQSZACIVSA-N 2 2 243.354 2.619 20 0 BFADLP CCC[C@H](CC)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000390766747 385721141 /nfs/dbraw/zinc/72/11/41/385721141.db2.gz RLLQBEQIHNPNCX-AWEZNQCLSA-N 2 2 224.392 2.807 20 0 BFADLP CCC[C@H](CC)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000390766747 385721145 /nfs/dbraw/zinc/72/11/45/385721145.db2.gz RLLQBEQIHNPNCX-AWEZNQCLSA-N 2 2 224.392 2.807 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]C2CCCCCC2)CCC[N@@H+]1C ZINC000336735903 385723189 /nfs/dbraw/zinc/72/31/89/385723189.db2.gz IIAUTNXCKBWMCT-OCCSQVGLSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]C2CCCCCC2)CCC[N@H+]1C ZINC000336735903 385723191 /nfs/dbraw/zinc/72/31/91/385723191.db2.gz IIAUTNXCKBWMCT-OCCSQVGLSA-N 2 2 224.392 2.782 20 0 BFADLP Cc1ccccc1C1([NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000647800441 385806679 /nfs/dbraw/zinc/80/66/79/385806679.db2.gz BCMYTJKVHLVXIQ-UKRRQHHQSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cscn1 ZINC000271495840 385834470 /nfs/dbraw/zinc/83/44/70/385834470.db2.gz LGVPYWYFXUGCHW-LLVKDONJSA-N 2 2 247.367 2.740 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414954439 385836737 /nfs/dbraw/zinc/83/67/37/385836737.db2.gz MWPWDIVAEOCVES-UKRRQHHQSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@H](CCC1CCCC1)[NH2+][C@@H](C)C[NH+](C)C ZINC000336739893 385788891 /nfs/dbraw/zinc/78/88/91/385788891.db2.gz LTFUSBXZOXGEIJ-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337986671 385868467 /nfs/dbraw/zinc/86/84/67/385868467.db2.gz POTLRZDMSFUJAF-KBPBESRZSA-N 2 2 244.398 2.836 20 0 BFADLP CCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284419555 385869249 /nfs/dbraw/zinc/86/92/49/385869249.db2.gz XUAWACXWUNITLV-CABCVRRESA-N 2 2 232.371 2.822 20 0 BFADLP CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284419555 385869252 /nfs/dbraw/zinc/86/92/52/385869252.db2.gz XUAWACXWUNITLV-CABCVRRESA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)[C@@H]1C[C@@H]1C ZINC000414125791 385975742 /nfs/dbraw/zinc/97/57/42/385975742.db2.gz QLRALKBIEXQEQG-XQLPTFJDSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)[C@@H]1C[C@@H]1C ZINC000414125791 385975748 /nfs/dbraw/zinc/97/57/48/385975748.db2.gz QLRALKBIEXQEQG-XQLPTFJDSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000414132749 385982036 /nfs/dbraw/zinc/98/20/36/385982036.db2.gz ZWWZAMCMSFCSSL-HZSPNIEDSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000414132749 385982042 /nfs/dbraw/zinc/98/20/42/385982042.db2.gz ZWWZAMCMSFCSSL-HZSPNIEDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000414058060 385935861 /nfs/dbraw/zinc/93/58/61/385935861.db2.gz GTQDSWFREQMNRZ-SEBNEYGDSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000414058060 385935866 /nfs/dbraw/zinc/93/58/66/385935866.db2.gz GTQDSWFREQMNRZ-SEBNEYGDSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000414058059 385936786 /nfs/dbraw/zinc/93/67/86/385936786.db2.gz GTQDSWFREQMNRZ-QTVXIADOSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000414058059 385936792 /nfs/dbraw/zinc/93/67/92/385936792.db2.gz GTQDSWFREQMNRZ-QTVXIADOSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1ccnc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000285574246 385944138 /nfs/dbraw/zinc/94/41/38/385944138.db2.gz ICVZZVFOUIQDQD-CQSZACIVSA-N 2 2 249.402 2.771 20 0 BFADLP Cc1ccnc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000285574246 385944145 /nfs/dbraw/zinc/94/41/45/385944145.db2.gz ICVZZVFOUIQDQD-CQSZACIVSA-N 2 2 249.402 2.771 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000414078211 385949384 /nfs/dbraw/zinc/94/93/84/385949384.db2.gz ZRQOTVNHVFRDEG-KJWHEZOQSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000414078211 385949387 /nfs/dbraw/zinc/94/93/87/385949387.db2.gz ZRQOTVNHVFRDEG-KJWHEZOQSA-N 2 2 238.419 2.741 20 0 BFADLP CC/C=C\CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342245453 385952663 /nfs/dbraw/zinc/95/26/63/385952663.db2.gz JGBOODAJIAWAFX-JZIMQPMSSA-N 2 2 246.354 2.891 20 0 BFADLP CC/C=C\CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342245453 385952670 /nfs/dbraw/zinc/95/26/70/385952670.db2.gz JGBOODAJIAWAFX-JZIMQPMSSA-N 2 2 246.354 2.891 20 0 BFADLP C[C@@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)CC[N@@H+]1C ZINC000335053665 385953501 /nfs/dbraw/zinc/95/35/01/385953501.db2.gz KCCJMUNZAARELS-RISCZKNCSA-N 2 2 245.370 2.549 20 0 BFADLP C[C@@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)CC[N@H+]1C ZINC000335053665 385953505 /nfs/dbraw/zinc/95/35/05/385953505.db2.gz KCCJMUNZAARELS-RISCZKNCSA-N 2 2 245.370 2.549 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1F ZINC000335059522 385961002 /nfs/dbraw/zinc/96/10/02/385961002.db2.gz BUMRFONNASMIGX-NEPJUHHUSA-N 2 2 236.334 2.618 20 0 BFADLP CC[C@@H](C)[N@H+](C)CCNc1cc(C)cc[nH+]1 ZINC000220329171 385963509 /nfs/dbraw/zinc/96/35/09/385963509.db2.gz AOXJLRTWRDSGMC-GFCCVEGCSA-N 2 2 221.348 2.532 20 0 BFADLP CC[C@@H](C)[N@@H+](C)CCNc1cc(C)cc[nH+]1 ZINC000220329171 385963515 /nfs/dbraw/zinc/96/35/15/385963515.db2.gz AOXJLRTWRDSGMC-GFCCVEGCSA-N 2 2 221.348 2.532 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414124258 385971114 /nfs/dbraw/zinc/97/11/14/385971114.db2.gz KMSBIBWRJMPBQF-NFAWXSAZSA-N 2 2 249.402 2.767 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)oc1C ZINC000414123781 385971678 /nfs/dbraw/zinc/97/16/78/385971678.db2.gz JSRIJYCYDJLDRM-NSHDSACASA-N 2 2 247.342 2.523 20 0 BFADLP C[C@@H](C1CCCCC1)[N@H+](C)CCn1cc[nH+]c1 ZINC000338339890 385971832 /nfs/dbraw/zinc/97/18/32/385971832.db2.gz HCCLTQFQABLDBK-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H](C1CCCCC1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000338339890 385971839 /nfs/dbraw/zinc/97/18/39/385971839.db2.gz HCCLTQFQABLDBK-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000345067645 386001223 /nfs/dbraw/zinc/00/12/23/386001223.db2.gz MWDOHSOFXLOABL-GUIRCDHDSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000345067645 386001230 /nfs/dbraw/zinc/00/12/30/386001230.db2.gz MWDOHSOFXLOABL-GUIRCDHDSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1C[C@H]1C ZINC000414112945 386005934 /nfs/dbraw/zinc/00/59/34/386005934.db2.gz AKISUOZBFNAGKI-OSRDXIQISA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@H]1C[C@H]1C ZINC000414112945 386005937 /nfs/dbraw/zinc/00/59/37/386005937.db2.gz AKISUOZBFNAGKI-OSRDXIQISA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccsc1Cl ZINC000336751757 386009839 /nfs/dbraw/zinc/00/98/39/386009839.db2.gz GRAOQFKHSKGYDM-VIFPVBQESA-N 2 2 246.807 2.831 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000189468851 386012092 /nfs/dbraw/zinc/01/20/92/386012092.db2.gz WXXXOZNUEHPFDZ-STQMWFEESA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000189468851 386012099 /nfs/dbraw/zinc/01/20/99/386012099.db2.gz WXXXOZNUEHPFDZ-STQMWFEESA-N 2 2 238.419 2.883 20 0 BFADLP CCC1CC([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1 ZINC000336727810 386032599 /nfs/dbraw/zinc/03/25/99/386032599.db2.gz GSRZGFWQRIQXBI-RUXDESIVSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414147965 385996980 /nfs/dbraw/zinc/99/69/80/385996980.db2.gz MWTHHLPEFNXRJS-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414147965 385996981 /nfs/dbraw/zinc/99/69/81/385996981.db2.gz MWTHHLPEFNXRJS-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414987393 386115896 /nfs/dbraw/zinc/11/58/96/386115896.db2.gz YXGSOBMVLIUHCI-CYBMUJFWSA-N 2 2 244.338 2.774 20 0 BFADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414987395 386115991 /nfs/dbraw/zinc/11/59/91/386115991.db2.gz YXGSOBMVLIUHCI-ZDUSSCGKSA-N 2 2 244.338 2.774 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1cc(C)c(C)cc1C ZINC000414885904 386066414 /nfs/dbraw/zinc/06/64/14/386066414.db2.gz PMOSNUYMWRPUOI-UHFFFAOYSA-N 2 2 234.387 2.701 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000414217101 386072456 /nfs/dbraw/zinc/07/24/56/386072456.db2.gz AOFWTXSOCARFCA-CFVMTHIKSA-N 2 2 232.371 2.677 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000414217101 386072464 /nfs/dbraw/zinc/07/24/64/386072464.db2.gz AOFWTXSOCARFCA-CFVMTHIKSA-N 2 2 232.371 2.677 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000345250378 386079492 /nfs/dbraw/zinc/07/94/92/386079492.db2.gz NEOSRUDMTSACKK-TZMCWYRMSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@H]1C[C@@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000345250374 386079785 /nfs/dbraw/zinc/07/97/85/386079785.db2.gz NEOSRUDMTSACKK-GXTWGEPZSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000287031144 386092624 /nfs/dbraw/zinc/09/26/24/386092624.db2.gz LUWCCZPJMSFBLE-IHRRRGAJSA-N 2 2 234.387 2.718 20 0 BFADLP Cc1occc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000414358345 386146159 /nfs/dbraw/zinc/14/61/59/386146159.db2.gz BUVZSBCXGURFDN-UHFFFAOYSA-N 2 2 245.326 2.575 20 0 BFADLP CC[C@H](F)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000440783073 386152297 /nfs/dbraw/zinc/15/22/97/386152297.db2.gz KNMVPBVLEGDWOB-RWMBFGLXSA-N 2 2 239.338 2.514 20 0 BFADLP CC[C@H](F)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000440783073 386152300 /nfs/dbraw/zinc/15/23/00/386152300.db2.gz KNMVPBVLEGDWOB-RWMBFGLXSA-N 2 2 239.338 2.514 20 0 BFADLP Cn1cccc1[C@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414684087 386167941 /nfs/dbraw/zinc/16/79/41/386167941.db2.gz UUDJHAIMJYXEIS-CQSZACIVSA-N 2 2 249.402 2.550 20 0 BFADLP Cn1cccc1[C@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414684087 386167942 /nfs/dbraw/zinc/16/79/42/386167942.db2.gz UUDJHAIMJYXEIS-CQSZACIVSA-N 2 2 249.402 2.550 20 0 BFADLP C[N@H+](CC[NH2+]C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000414682117 386168009 /nfs/dbraw/zinc/16/80/09/386168009.db2.gz QPNWZOBLMWRCPP-OAHLLOKOSA-N 2 2 246.398 2.994 20 0 BFADLP C[N@@H+](CC[NH2+]C(C)(C)C)[C@@H]1CCc2ccccc21 ZINC000414682117 386168013 /nfs/dbraw/zinc/16/80/13/386168013.db2.gz QPNWZOBLMWRCPP-OAHLLOKOSA-N 2 2 246.398 2.994 20 0 BFADLP C[N@H+](CC[NH2+]C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000414682116 386168053 /nfs/dbraw/zinc/16/80/53/386168053.db2.gz QPNWZOBLMWRCPP-HNNXBMFYSA-N 2 2 246.398 2.994 20 0 BFADLP C[N@@H+](CC[NH2+]C(C)(C)C)[C@H]1CCc2ccccc21 ZINC000414682116 386168057 /nfs/dbraw/zinc/16/80/57/386168057.db2.gz QPNWZOBLMWRCPP-HNNXBMFYSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000414686373 386174313 /nfs/dbraw/zinc/17/43/13/386174313.db2.gz AHALCMRITCABOQ-STQMWFEESA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000414686373 386174319 /nfs/dbraw/zinc/17/43/19/386174319.db2.gz AHALCMRITCABOQ-STQMWFEESA-N 2 2 226.408 2.870 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1Cl ZINC000414988390 386130027 /nfs/dbraw/zinc/13/00/27/386130027.db2.gz ZUOYCXITENGDDB-SECBINFHSA-N 2 2 247.169 2.820 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000414703826 386207295 /nfs/dbraw/zinc/20/72/95/386207295.db2.gz MIHDWEVZSMKFEG-DGCLKSJQSA-N 2 2 224.392 2.623 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000414703826 386207298 /nfs/dbraw/zinc/20/72/98/386207298.db2.gz MIHDWEVZSMKFEG-DGCLKSJQSA-N 2 2 224.392 2.623 20 0 BFADLP Cc1occc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000414378058 386212972 /nfs/dbraw/zinc/21/29/72/386212972.db2.gz XTWSSNZUDJDMDB-UHFFFAOYSA-N 2 2 236.359 2.550 20 0 BFADLP CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000125097392 386221271 /nfs/dbraw/zinc/22/12/71/386221271.db2.gz UUEQYUJXOVIOFL-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@H](CC)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000125097392 386221276 /nfs/dbraw/zinc/22/12/76/386221276.db2.gz UUEQYUJXOVIOFL-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@H]1Cc2ccccc2C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414718782 386244141 /nfs/dbraw/zinc/24/41/41/386244141.db2.gz ZPSIQVAWACIZIY-ZDUSSCGKSA-N 2 2 246.398 2.821 20 0 BFADLP C[C@H]1Cc2ccccc2C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414718782 386244147 /nfs/dbraw/zinc/24/41/47/386244147.db2.gz ZPSIQVAWACIZIY-ZDUSSCGKSA-N 2 2 246.398 2.821 20 0 BFADLP CCc1ccc[nH+]c1NC1CC[NH+](C2CC2)CC1 ZINC000297367159 386248344 /nfs/dbraw/zinc/24/83/44/386248344.db2.gz GEXNPTNQLKCHQK-UHFFFAOYSA-N 2 2 245.370 2.683 20 0 BFADLP Cc1cccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1C ZINC000347104092 386252347 /nfs/dbraw/zinc/25/23/47/386252347.db2.gz KZHBCKPLMYEVNR-INIZCTEOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1C ZINC000347104092 386252351 /nfs/dbraw/zinc/25/23/51/386252351.db2.gz KZHBCKPLMYEVNR-INIZCTEOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccco1 ZINC000289051569 386254958 /nfs/dbraw/zinc/25/49/58/386254958.db2.gz BKMYULRBNTZIGU-UHFFFAOYSA-N 2 2 230.311 2.705 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C[C@@H](C)C1 ZINC000414696955 386199822 /nfs/dbraw/zinc/19/98/22/386199822.db2.gz BTRSVAIZIPPIPE-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C[C@@H](C)C1 ZINC000414696955 386199825 /nfs/dbraw/zinc/19/98/25/386199825.db2.gz BTRSVAIZIPPIPE-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CCc1oc2ccccc2c1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000347214989 386287326 /nfs/dbraw/zinc/28/73/26/386287326.db2.gz QWMWMTNSXZDGJZ-NSHDSACASA-N 2 2 246.354 2.774 20 0 BFADLP CCc1oc2ccccc2c1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000347214989 386287327 /nfs/dbraw/zinc/28/73/27/386287327.db2.gz QWMWMTNSXZDGJZ-NSHDSACASA-N 2 2 246.354 2.774 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347300244 386303128 /nfs/dbraw/zinc/30/31/28/386303128.db2.gz ZQXFJZXGXVUARP-MJBXVCDLSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347300244 386303133 /nfs/dbraw/zinc/30/31/33/386303133.db2.gz ZQXFJZXGXVUARP-MJBXVCDLSA-N 2 2 224.392 2.591 20 0 BFADLP Cc1cc(C)cc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000347186042 386272636 /nfs/dbraw/zinc/27/26/36/386272636.db2.gz ZRIDLOCHBDUIBN-INIZCTEOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)cc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000347186042 386272641 /nfs/dbraw/zinc/27/26/41/386272641.db2.gz ZRIDLOCHBDUIBN-INIZCTEOSA-N 2 2 244.382 2.630 20 0 BFADLP CC[NH+](CC)CCC[N@H+](CC)Cc1cccnc1 ZINC000289564027 386329763 /nfs/dbraw/zinc/32/97/63/386329763.db2.gz YYDZTARXMONWFB-UHFFFAOYSA-N 2 2 249.402 2.635 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccnc1 ZINC000289564027 386329769 /nfs/dbraw/zinc/32/97/69/386329769.db2.gz YYDZTARXMONWFB-UHFFFAOYSA-N 2 2 249.402 2.635 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347334845 386332674 /nfs/dbraw/zinc/33/26/74/386332674.db2.gz JBRLZEVRIFEFFG-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000276488173 386332672 /nfs/dbraw/zinc/33/26/72/386332672.db2.gz PQBVKNPFUVEYGF-HZPDHXFCSA-N 2 2 246.398 2.648 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347334845 386332678 /nfs/dbraw/zinc/33/26/78/386332678.db2.gz JBRLZEVRIFEFFG-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000094079868 386445213 /nfs/dbraw/zinc/44/52/13/386445213.db2.gz NVSRFDRWGJQRKU-WBMJQRKESA-N 2 2 244.382 2.578 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000094079864 386445369 /nfs/dbraw/zinc/44/53/69/386445369.db2.gz NVSRFDRWGJQRKU-MLGOLLRUSA-N 2 2 244.382 2.578 20 0 BFADLP CC[N@H+](CCNc1cccc(C)[nH+]1)C(C)C ZINC000336775968 386391154 /nfs/dbraw/zinc/39/11/54/386391154.db2.gz DGENMCXHNKYERP-UHFFFAOYSA-N 2 2 221.348 2.532 20 0 BFADLP CC[N@@H+](CCNc1cccc(C)[nH+]1)C(C)C ZINC000336775968 386391156 /nfs/dbraw/zinc/39/11/56/386391156.db2.gz DGENMCXHNKYERP-UHFFFAOYSA-N 2 2 221.348 2.532 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)CC12CCC2 ZINC000414759111 386408026 /nfs/dbraw/zinc/40/80/26/386408026.db2.gz NSPUARABXASOAF-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)CC12CCC2 ZINC000414759111 386408031 /nfs/dbraw/zinc/40/80/31/386408031.db2.gz NSPUARABXASOAF-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]CC(C(C)C)C(C)C ZINC000310492085 386411625 /nfs/dbraw/zinc/41/16/25/386411625.db2.gz IUQQIXOEFUVISB-AWEZNQCLSA-N 2 2 240.435 2.989 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]CC(C(C)C)C(C)C ZINC000310492085 386411628 /nfs/dbraw/zinc/41/16/28/386411628.db2.gz IUQQIXOEFUVISB-AWEZNQCLSA-N 2 2 240.435 2.989 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417356702 386493704 /nfs/dbraw/zinc/49/37/04/386493704.db2.gz PVZZBXXJVCSZGS-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000415014744 386500215 /nfs/dbraw/zinc/50/02/15/386500215.db2.gz XHTLIOCLSARHSS-HTQZYQBOSA-N 2 2 247.169 2.819 20 0 BFADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccsc1Cl ZINC000415050952 386505366 /nfs/dbraw/zinc/50/53/66/386505366.db2.gz FBNAFWATVCQXTM-VIFPVBQESA-N 2 2 246.807 2.865 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000415049473 386507259 /nfs/dbraw/zinc/50/72/59/386507259.db2.gz YDEWRYBEPJLHES-XGACYXMMSA-N 2 2 248.345 2.569 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1C ZINC000415030514 386519210 /nfs/dbraw/zinc/51/92/10/386519210.db2.gz COFASLDSCWPWOH-CQSZACIVSA-N 2 2 232.371 2.534 20 0 BFADLP CCCc1[nH+]ccn1Cc1c[nH+]ccc1C ZINC000339687602 386520323 /nfs/dbraw/zinc/52/03/23/386520323.db2.gz KBNLGOGEHHYUHK-UHFFFAOYSA-N 2 2 215.300 2.587 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000415042272 386530291 /nfs/dbraw/zinc/53/02/91/386530291.db2.gz QLFSAFMRIJDFIA-LBPRGKRZSA-N 2 2 238.762 2.570 20 0 BFADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccccc1Cl ZINC000415053301 386535565 /nfs/dbraw/zinc/53/55/65/386535565.db2.gz MKXIRXOUYKGHPY-GFCCVEGCSA-N 2 2 240.778 2.803 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000063191373 386552735 /nfs/dbraw/zinc/55/27/35/386552735.db2.gz PPJKHOHNHYHWGR-RISCZKNCSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000063191373 386552738 /nfs/dbraw/zinc/55/27/38/386552738.db2.gz PPJKHOHNHYHWGR-RISCZKNCSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@H](C)c1ccccc1 ZINC000417361891 386559372 /nfs/dbraw/zinc/55/93/72/386559372.db2.gz ZKTXTVAIQYDLPL-UONOGXRCSA-N 2 2 246.398 2.862 20 0 BFADLP c1c2ccccc2oc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415073425 386561019 /nfs/dbraw/zinc/56/10/19/386561019.db2.gz YLERYJLZWZNEQL-ZDUSSCGKSA-N 2 2 244.338 2.665 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]CC(C)(C)C ZINC000415072363 386563214 /nfs/dbraw/zinc/56/32/14/386563214.db2.gz XYCAPICTSMNIDI-CQSZACIVSA-N 2 2 234.387 2.885 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000123517743 386567746 /nfs/dbraw/zinc/56/77/46/386567746.db2.gz ZCRSBPMKURTMKI-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000123517743 386567749 /nfs/dbraw/zinc/56/77/49/386567749.db2.gz ZCRSBPMKURTMKI-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Fc1ccc(/C=C\C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415073884 386572479 /nfs/dbraw/zinc/57/24/79/386572479.db2.gz ZCMZFRRRWPIMSE-ABCZVMIZSA-N 2 2 248.345 2.571 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000335497925 386622809 /nfs/dbraw/zinc/62/28/09/386622809.db2.gz APOZDUMAQPJNHL-PWSUYJOCSA-N 2 2 224.373 2.541 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000335498303 386622843 /nfs/dbraw/zinc/62/28/43/386622843.db2.gz IUZBDLLIGZEGOO-VXGBXAGGSA-N 2 2 238.400 2.849 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000335498302 386623374 /nfs/dbraw/zinc/62/33/74/386623374.db2.gz IUZBDLLIGZEGOO-RYUDHWBXSA-N 2 2 238.400 2.849 20 0 BFADLP C[N@H+](CC(C)(C)[NH3+])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000415107648 386618291 /nfs/dbraw/zinc/61/82/91/386618291.db2.gz JLJFCPIDBRGOIF-CABCVRRESA-N 2 2 246.398 2.992 20 0 BFADLP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CCC[C@@H]1c1ccccc1 ZINC000415107648 386618296 /nfs/dbraw/zinc/61/82/96/386618296.db2.gz JLJFCPIDBRGOIF-CABCVRRESA-N 2 2 246.398 2.992 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000414819229 386670862 /nfs/dbraw/zinc/67/08/62/386670862.db2.gz YDOVCBZOWKWDEB-LLVKDONJSA-N 2 2 242.313 2.572 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414826653 386686939 /nfs/dbraw/zinc/68/69/39/386686939.db2.gz FYTOVXJKYXNHBW-JSGCOSHPSA-N 2 2 220.360 2.712 20 0 BFADLP CC1(C)CCC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414826852 386688139 /nfs/dbraw/zinc/68/81/39/386688139.db2.gz GISBPHUCDVGRIR-KGLIPLIRSA-N 2 2 232.371 2.855 20 0 BFADLP CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337254040 386689460 /nfs/dbraw/zinc/68/94/60/386689460.db2.gz QGOWOISPTXTKPD-GXTWGEPZSA-N 2 2 234.343 2.723 20 0 BFADLP CCC[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337254040 386689467 /nfs/dbraw/zinc/68/94/67/386689467.db2.gz QGOWOISPTXTKPD-GXTWGEPZSA-N 2 2 234.343 2.723 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000268741623 386689845 /nfs/dbraw/zinc/68/98/45/386689845.db2.gz YMAOJPMDKDAMEQ-DVOMOZLQSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000268741623 386689850 /nfs/dbraw/zinc/68/98/50/386689850.db2.gz YMAOJPMDKDAMEQ-DVOMOZLQSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@H](c1ccc(F)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335486535 386716317 /nfs/dbraw/zinc/71/63/17/386716317.db2.gz HIOVAAWEKCTLQQ-GFCCVEGCSA-N 2 2 248.345 2.715 20 0 BFADLP [NH3+][C@@H](C[NH2+]CC1CCCCC1)c1ccccc1 ZINC000414832285 386716434 /nfs/dbraw/zinc/71/64/34/386716434.db2.gz OJAUONQQIJRDFU-HNNXBMFYSA-N 2 2 232.371 2.856 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000325076535 386722252 /nfs/dbraw/zinc/72/22/52/386722252.db2.gz XNYUYNDBCRYDDF-WHOFXGATSA-N 2 2 236.403 2.780 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000325076535 386722256 /nfs/dbraw/zinc/72/22/56/386722256.db2.gz XNYUYNDBCRYDDF-WHOFXGATSA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)s1 ZINC000166168434 386722324 /nfs/dbraw/zinc/72/23/24/386722324.db2.gz LJQIZMFSRRMJBH-JTQLQIEISA-N 2 2 238.400 2.579 20 0 BFADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)s1 ZINC000166168434 386722328 /nfs/dbraw/zinc/72/23/28/386722328.db2.gz LJQIZMFSRRMJBH-JTQLQIEISA-N 2 2 238.400 2.579 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000044557456 386722653 /nfs/dbraw/zinc/72/26/53/386722653.db2.gz JYPAZHKMWSSXIJ-RZIFZGNASA-N 2 2 230.355 2.513 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1 ZINC000044557456 386722662 /nfs/dbraw/zinc/72/26/62/386722662.db2.gz JYPAZHKMWSSXIJ-RZIFZGNASA-N 2 2 230.355 2.513 20 0 BFADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@H]1C1CC1)c1ccccc1 ZINC000414842820 386755311 /nfs/dbraw/zinc/75/53/11/386755311.db2.gz ZPIHDPPMCMPEMN-ARFHVFGLSA-N 2 2 244.382 2.855 20 0 BFADLP Cc1ccccc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414842985 386756642 /nfs/dbraw/zinc/75/66/42/386756642.db2.gz ZYSWKVBTMBKGEQ-INIZCTEOSA-N 2 2 240.350 2.785 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000414933819 386789698 /nfs/dbraw/zinc/78/96/98/386789698.db2.gz BCYFZHLNTYJHMP-GOEBONIOSA-N 2 2 246.398 2.842 20 0 BFADLP Cc1cc[nH+]c(NCc2ccn3cc[nH+]c3c2)c1 ZINC000357430120 386782079 /nfs/dbraw/zinc/78/20/79/386782079.db2.gz ZNDJVKRWDUCQFS-UHFFFAOYSA-N 2 2 238.294 2.650 20 0 BFADLP Cc1cc[nH+]c(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000301647268 386864248 /nfs/dbraw/zinc/86/42/48/386864248.db2.gz QBWJJYQAKNGVHH-KGLIPLIRSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cc[nH+]c(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000301647268 386864251 /nfs/dbraw/zinc/86/42/51/386864251.db2.gz QBWJJYQAKNGVHH-KGLIPLIRSA-N 2 2 247.386 2.922 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1sccc1Cl ZINC000334834027 386872555 /nfs/dbraw/zinc/87/25/55/386872555.db2.gz WQHSHVGPPMGYFJ-WPRPVWTQSA-N 2 2 244.791 2.632 20 0 BFADLP C[C@H]1CCCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165161548 386872892 /nfs/dbraw/zinc/87/28/92/386872892.db2.gz NMONSFSXZBUINS-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358390518 386947620 /nfs/dbraw/zinc/94/76/20/386947620.db2.gz DQTVQKGHCMVCQT-YDHLFZDLSA-N 2 2 232.371 2.596 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358390518 386947625 /nfs/dbraw/zinc/94/76/25/386947625.db2.gz DQTVQKGHCMVCQT-YDHLFZDLSA-N 2 2 232.371 2.596 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101202 386942178 /nfs/dbraw/zinc/94/21/78/386942178.db2.gz JWIPZXAEEOOIPA-NEPJUHHUSA-N 2 2 235.375 2.681 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101202 386942181 /nfs/dbraw/zinc/94/21/81/386942181.db2.gz JWIPZXAEEOOIPA-NEPJUHHUSA-N 2 2 235.375 2.681 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336745736 387008740 /nfs/dbraw/zinc/00/87/40/387008740.db2.gz QWLHWNRPRVNSKU-YRGRVCCFSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336745736 387008743 /nfs/dbraw/zinc/00/87/43/387008743.db2.gz QWLHWNRPRVNSKU-YRGRVCCFSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336745734 387008775 /nfs/dbraw/zinc/00/87/75/387008775.db2.gz QWLHWNRPRVNSKU-DYEKYZERSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336745734 387008778 /nfs/dbraw/zinc/00/87/78/387008778.db2.gz QWLHWNRPRVNSKU-DYEKYZERSA-N 2 2 224.392 2.637 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328162410 387004230 /nfs/dbraw/zinc/00/42/30/387004230.db2.gz IGKGNQUKJMGYMH-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC12CCCC2 ZINC000328162410 387004233 /nfs/dbraw/zinc/00/42/33/387004233.db2.gz IGKGNQUKJMGYMH-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358404069 386950769 /nfs/dbraw/zinc/95/07/69/386950769.db2.gz OMEVEOSMUATURR-BMFZPTHFSA-N 2 2 246.398 2.547 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358404069 386950772 /nfs/dbraw/zinc/95/07/72/386950772.db2.gz OMEVEOSMUATURR-BMFZPTHFSA-N 2 2 246.398 2.547 20 0 BFADLP CC(C)C(C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000191700576 387053915 /nfs/dbraw/zinc/05/39/15/387053915.db2.gz UJSOTUJZHRVLSL-ZDUSSCGKSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C(C[NH2+][C@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000191700576 387053919 /nfs/dbraw/zinc/05/39/19/387053919.db2.gz UJSOTUJZHRVLSL-ZDUSSCGKSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000527349890 387054595 /nfs/dbraw/zinc/05/45/95/387054595.db2.gz BHGAVFBRRIAZGL-YPMHNXCESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000527349890 387054597 /nfs/dbraw/zinc/05/45/97/387054597.db2.gz BHGAVFBRRIAZGL-YPMHNXCESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CC1)Cc1ccccc1 ZINC000418118720 387064018 /nfs/dbraw/zinc/06/40/18/387064018.db2.gz WNVDSYJAEDNLFV-CQSZACIVSA-N 2 2 246.398 2.549 20 0 BFADLP c1cc(O[C@@H]2CC[N@H+]([C@@H]3C=CCCC3)C2)cc[nH+]1 ZINC000334978597 387064533 /nfs/dbraw/zinc/06/45/33/387064533.db2.gz NFFOEFNPYGFHES-UKRRQHHQSA-N 2 2 244.338 2.643 20 0 BFADLP C[N@H+](Cc1csc2ccccc12)[C@H]1CC[NH2+]C1 ZINC000111234692 387071017 /nfs/dbraw/zinc/07/10/17/387071017.db2.gz YDSNNNBPLZCREX-LBPRGKRZSA-N 2 2 246.379 2.695 20 0 BFADLP C[N@@H+](Cc1csc2ccccc12)[C@H]1CC[NH2+]C1 ZINC000111234692 387071018 /nfs/dbraw/zinc/07/10/18/387071018.db2.gz YDSNNNBPLZCREX-LBPRGKRZSA-N 2 2 246.379 2.695 20 0 BFADLP Cc1cc(C)c(C[NH2+]CC[NH+]2CCCC2)c(C)c1 ZINC000020126741 387074216 /nfs/dbraw/zinc/07/42/16/387074216.db2.gz ZGRCVVZVCNHXOC-UHFFFAOYSA-N 2 2 246.398 2.797 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC23CC3)c[nH+]1 ZINC000418091512 387098990 /nfs/dbraw/zinc/09/89/90/387098990.db2.gz GOJIHTAJECRMHL-AWEZNQCLSA-N 2 2 230.355 2.712 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000423342271 387192314 /nfs/dbraw/zinc/19/23/14/387192314.db2.gz YVAJBNMRCZJCLQ-SFYZADRCSA-N 2 2 247.169 2.991 20 0 BFADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000336319222 387144021 /nfs/dbraw/zinc/14/40/21/387144021.db2.gz XYPDOFNSSPWBST-JSGCOSHPSA-N 2 2 247.386 2.756 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](CC)c1cccc(F)c1 ZINC000423308319 387144389 /nfs/dbraw/zinc/14/43/89/387144389.db2.gz JCGQUDNGIPBCAD-CQSZACIVSA-N 2 2 238.350 2.866 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(C)s1 ZINC000423309324 387146731 /nfs/dbraw/zinc/14/67/31/387146731.db2.gz KZZQKGWFIPUGJI-LLVKDONJSA-N 2 2 226.389 2.707 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000423319470 387162607 /nfs/dbraw/zinc/16/26/07/387162607.db2.gz ZYRAMUFJIUJZFO-CQSZACIVSA-N 2 2 234.387 2.954 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC23CCCC3)CCC[N@@H+]1C ZINC000353247564 387163637 /nfs/dbraw/zinc/16/36/37/387163637.db2.gz IIXHFRKIFAJASK-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC23CCCC3)CCC[N@H+]1C ZINC000353247564 387163642 /nfs/dbraw/zinc/16/36/42/387163642.db2.gz IIXHFRKIFAJASK-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1F ZINC000423328030 387171175 /nfs/dbraw/zinc/17/11/75/387171175.db2.gz NQJZINHHQJXAIB-CYBMUJFWSA-N 2 2 236.334 2.748 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)Cn1cc[nH+]c1 ZINC000193127866 387173952 /nfs/dbraw/zinc/17/39/52/387173952.db2.gz YFCZWKUSEANXRF-HZSPNIEDSA-N 2 2 249.402 2.934 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)[nH]1 ZINC000336350205 387179735 /nfs/dbraw/zinc/17/97/35/387179735.db2.gz AMVCFTJBPKDZFO-STQMWFEESA-N 2 2 231.343 2.698 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)[nH]1 ZINC000336350205 387179737 /nfs/dbraw/zinc/17/97/37/387179737.db2.gz AMVCFTJBPKDZFO-STQMWFEESA-N 2 2 231.343 2.698 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1F ZINC000423301966 387134532 /nfs/dbraw/zinc/13/45/32/387134532.db2.gz UTWMPOHODHIBFC-RYUDHWBXSA-N 2 2 238.350 2.994 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)o1 ZINC000423302608 387135539 /nfs/dbraw/zinc/13/55/39/387135539.db2.gz VVAQUMRSWMHVGP-NEPJUHHUSA-N 2 2 224.348 2.756 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cnccc1C ZINC000423304739 387140544 /nfs/dbraw/zinc/14/05/44/387140544.db2.gz ZIBZVKYQYHBEQK-CHWSQXEVSA-N 2 2 235.375 2.558 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000423354543 387205985 /nfs/dbraw/zinc/20/59/85/387205985.db2.gz CYBJIDGETFCSFX-DUVNUKRYSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423355475 387206787 /nfs/dbraw/zinc/20/67/87/387206787.db2.gz FPGIGOOWEVBMPW-YCPHGPKFSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H](C)C2 ZINC000423356208 387208860 /nfs/dbraw/zinc/20/88/60/387208860.db2.gz JOACOZKOOLSHAZ-XPKDYRNWSA-N 2 2 244.382 2.570 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000300417990 387210234 /nfs/dbraw/zinc/21/02/34/387210234.db2.gz CIDOOYDWYRYVHM-UMVBOHGHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C1CC1 ZINC000300417990 387210238 /nfs/dbraw/zinc/21/02/38/387210238.db2.gz CIDOOYDWYRYVHM-UMVBOHGHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000423358294 387210750 /nfs/dbraw/zinc/21/07/50/387210750.db2.gz JGNWTWDATIHAMK-DRZSPHRISA-N 2 2 238.400 2.787 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000423358677 387210788 /nfs/dbraw/zinc/21/07/88/387210788.db2.gz JRKWHLFWZIIEMJ-ZMLRMANQSA-N 2 2 238.400 2.705 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000423367180 387218386 /nfs/dbraw/zinc/21/83/86/387218386.db2.gz QWJDMZDUZAPZLQ-NOLJZWGESA-N 2 2 246.398 2.952 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000423368963 387221877 /nfs/dbraw/zinc/22/18/77/387221877.db2.gz BMGAUDOYVIXLNT-IUODEOHRSA-N 2 2 232.371 2.725 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000423370942 387223705 /nfs/dbraw/zinc/22/37/05/387223705.db2.gz FBKRNVMNMYKHGO-LALPHHSUSA-N 2 2 232.371 2.508 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423372002 387227143 /nfs/dbraw/zinc/22/71/43/387227143.db2.gz VRPOQPCCVZFJSA-HEHGZKQESA-N 2 2 246.398 2.898 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)c1nccc2ccccc21)[C@H](C)[NH3+] ZINC000423464009 387312702 /nfs/dbraw/zinc/31/27/02/387312702.db2.gz LRTGKICUOGETRW-TUAOUCFPSA-N 2 2 243.354 2.621 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423378915 387260179 /nfs/dbraw/zinc/26/01/79/387260179.db2.gz LHDZBHJSXJUPSZ-ZJUUUORDSA-N 2 2 242.313 2.613 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000423382833 387266347 /nfs/dbraw/zinc/26/63/47/387266347.db2.gz ORKDGQJNNRQDAS-OLZOCXBDSA-N 2 2 234.387 2.898 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H](C)[NH2+]CC)c1ccccn1 ZINC000423382802 387266470 /nfs/dbraw/zinc/26/64/70/387266470.db2.gz OPUWFAHDTMXUHH-CHWSQXEVSA-N 2 2 235.375 2.510 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000336443803 387272300 /nfs/dbraw/zinc/27/23/00/387272300.db2.gz FWMMBVNJEWWLRJ-UWVGGRQHSA-N 2 2 247.367 2.679 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000336443803 387272303 /nfs/dbraw/zinc/27/23/03/387272303.db2.gz FWMMBVNJEWWLRJ-UWVGGRQHSA-N 2 2 247.367 2.679 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000423388113 387274879 /nfs/dbraw/zinc/27/48/79/387274879.db2.gz TTWYSPGTCQEUJU-DOMZBBRYSA-N 2 2 232.371 2.570 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1sccc1C ZINC000423390986 387276864 /nfs/dbraw/zinc/27/68/64/387276864.db2.gz WRUDRUZLVBBDAV-MNOVXSKESA-N 2 2 226.389 2.705 20 0 BFADLP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccc(F)cc1F ZINC000423435961 387286026 /nfs/dbraw/zinc/28/60/26/387286026.db2.gz FCDGQPAVIHTQQW-KKFJDGPESA-N 2 2 242.313 2.741 20 0 BFADLP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000423437121 387288195 /nfs/dbraw/zinc/28/81/95/387288195.db2.gz GBFRDDAMXCHSKY-RWEMILLDSA-N 2 2 242.313 2.741 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC(C)(C)Cc2occc21)[C@H](C)[NH3+] ZINC000423441016 387291125 /nfs/dbraw/zinc/29/11/25/387291125.db2.gz IXNNAVBJYWRDKC-UMNHJUIQSA-N 2 2 236.359 2.618 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1(C)CC1 ZINC000423442580 387293554 /nfs/dbraw/zinc/29/35/54/387293554.db2.gz WUNLMTGZAOEIAJ-DOMZBBRYSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@H]1C[C@H]1C ZINC000321703075 387293942 /nfs/dbraw/zinc/29/39/42/387293942.db2.gz UDCWUJTWNMHCTH-YCPHGPKFSA-N 2 2 246.398 2.753 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@H]1C[C@H]1C ZINC000321703075 387293945 /nfs/dbraw/zinc/29/39/45/387293945.db2.gz UDCWUJTWNMHCTH-YCPHGPKFSA-N 2 2 246.398 2.753 20 0 BFADLP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1ccccc1F ZINC000423448557 387298215 /nfs/dbraw/zinc/29/82/15/387298215.db2.gz QLFMXWQZTBQTJX-BREBYQMCSA-N 2 2 224.323 2.602 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423452759 387299414 /nfs/dbraw/zinc/29/94/14/387299414.db2.gz WWDBOCUTYFPCAT-CIUDSAMLSA-N 2 2 244.741 2.865 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423450729 387299624 /nfs/dbraw/zinc/29/96/24/387299624.db2.gz UCKLVFGHKDZYCP-WOPDTQHZSA-N 2 2 243.354 2.621 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1Cl)[C@H](C)[NH3+] ZINC000423452763 387299666 /nfs/dbraw/zinc/29/96/66/387299666.db2.gz WWDBOCUTYFPCAT-YIZRAAEISA-N 2 2 244.741 2.865 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423459099 387307283 /nfs/dbraw/zinc/30/72/83/387307283.db2.gz HPSFBCVVEUUWNQ-MWLCHTKSSA-N 2 2 249.383 2.684 20 0 BFADLP CCC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000643501868 387354832 /nfs/dbraw/zinc/35/48/32/387354832.db2.gz RHDGYZBHSWCOKC-KGLIPLIRSA-N 2 2 247.386 2.655 20 0 BFADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501741 387354917 /nfs/dbraw/zinc/35/49/17/387354917.db2.gz PBTFYEDGQBFMMY-IAQYHMDHSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423545788 387370481 /nfs/dbraw/zinc/37/04/81/387370481.db2.gz DRUABDQARUHPEV-CZUORRHYSA-N 2 2 244.382 2.714 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000423559815 387374431 /nfs/dbraw/zinc/37/44/31/387374431.db2.gz PGFXYELLOJEECZ-QWHCGFSZSA-N 2 2 238.400 2.931 20 0 BFADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423555182 387375686 /nfs/dbraw/zinc/37/56/86/387375686.db2.gz LWNUWGVQAXKIPU-HIFRSBDPSA-N 2 2 248.345 2.545 20 0 BFADLP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423555183 387375910 /nfs/dbraw/zinc/37/59/10/387375910.db2.gz LWNUWGVQAXKIPU-UKRRQHHQSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000423486559 387331846 /nfs/dbraw/zinc/33/18/46/387331846.db2.gz ZOEBDGZIIFWZRL-OCCSQVGLSA-N 2 2 236.359 2.756 20 0 BFADLP Cc1ccnc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000423507783 387345065 /nfs/dbraw/zinc/34/50/65/387345065.db2.gz QKRDEGLHRNGEAV-DOMZBBRYSA-N 2 2 247.386 2.558 20 0 BFADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643500964 387347437 /nfs/dbraw/zinc/34/74/37/387347437.db2.gz LEMZPCKTLQVVGG-HIFRSBDPSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643500891 387347878 /nfs/dbraw/zinc/34/78/78/387347878.db2.gz GMSSZALLPCGCJC-GDBMZVCRSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000643468947 387424924 /nfs/dbraw/zinc/42/49/24/387424924.db2.gz PUKYBPVTPJONCA-MAZHCROVSA-N 2 2 244.382 2.712 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1CC1 ZINC000083054713 387397419 /nfs/dbraw/zinc/39/74/19/387397419.db2.gz YGKOOEZEFNRDHG-ZIAGYGMSSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)cc1 ZINC000643506335 387460700 /nfs/dbraw/zinc/46/07/00/387460700.db2.gz SFXMHAQXNHKMOE-CQSZACIVSA-N 2 2 236.334 2.618 20 0 BFADLP CC[N@H+](CC1CC[NH2+]CC1)c1cccc(C)c1 ZINC000011805347 387505754 /nfs/dbraw/zinc/50/57/54/387505754.db2.gz GXYRELKVKHRMPF-UHFFFAOYSA-N 2 2 232.371 2.821 20 0 BFADLP CC[N@@H+](CC1CC[NH2+]CC1)c1cccc(C)c1 ZINC000011805347 387505760 /nfs/dbraw/zinc/50/57/60/387505760.db2.gz GXYRELKVKHRMPF-UHFFFAOYSA-N 2 2 232.371 2.821 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000361652415 387518403 /nfs/dbraw/zinc/51/84/03/387518403.db2.gz FWMJZJMGLNGDJG-KBPBESRZSA-N 2 2 247.386 2.847 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)C1CC1 ZINC000300418966 387520691 /nfs/dbraw/zinc/52/06/91/387520691.db2.gz JPLUZJBQXBYOFV-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C)C1CC1 ZINC000300418966 387520696 /nfs/dbraw/zinc/52/06/96/387520696.db2.gz JPLUZJBQXBYOFV-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+](CCC1CC1)Cc1cccc2[nH+]ccn21 ZINC000355509195 387544577 /nfs/dbraw/zinc/54/45/77/387544577.db2.gz KYUUPQSGEDDFTR-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP CC[N@@H+](CCC1CC1)Cc1cccc2[nH+]ccn21 ZINC000355509195 387544582 /nfs/dbraw/zinc/54/45/82/387544582.db2.gz KYUUPQSGEDDFTR-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643505998 387463566 /nfs/dbraw/zinc/46/35/66/387463566.db2.gz HGKCDHFTDARTMZ-WBMJQRKESA-N 2 2 244.382 2.967 20 0 BFADLP CC(C)[C@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1 ZINC000643507286 387475013 /nfs/dbraw/zinc/47/50/13/387475013.db2.gz YCSGOBQYCGKMDK-HNNXBMFYSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000304405699 387475424 /nfs/dbraw/zinc/47/54/24/387475424.db2.gz OVUJAIXUUZWCCR-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000304405699 387475426 /nfs/dbraw/zinc/47/54/26/387475426.db2.gz OVUJAIXUUZWCCR-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)c1C ZINC000643507336 387477157 /nfs/dbraw/zinc/47/71/57/387477157.db2.gz ZUBZFPIFCQDZGF-CYBMUJFWSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(C2CC2)c1 ZINC000643507760 387480387 /nfs/dbraw/zinc/48/03/87/387480387.db2.gz OTTFTZRSYMSOKZ-GFCCVEGCSA-N 2 2 244.382 2.967 20 0 BFADLP CC(C)CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000122152095 387486804 /nfs/dbraw/zinc/48/68/04/387486804.db2.gz JBSZZTOEYHARIE-CHWSQXEVSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000122152095 387486809 /nfs/dbraw/zinc/48/68/09/387486809.db2.gz JBSZZTOEYHARIE-CHWSQXEVSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[C@H](C)C[NH2+]CC[NH+]1CCCCCC1 ZINC000040767555 387582083 /nfs/dbraw/zinc/58/20/83/387582083.db2.gz JVPZRQQXKRMRHQ-AWEZNQCLSA-N 2 2 226.408 2.888 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000362231934 387587268 /nfs/dbraw/zinc/58/72/68/387587268.db2.gz AGLYGZOGAWNUKY-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000362231934 387587270 /nfs/dbraw/zinc/58/72/70/387587270.db2.gz AGLYGZOGAWNUKY-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@H](C)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000362231934 387587274 /nfs/dbraw/zinc/58/72/74/387587274.db2.gz AGLYGZOGAWNUKY-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@H](C)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000362231934 387587276 /nfs/dbraw/zinc/58/72/76/387587276.db2.gz AGLYGZOGAWNUKY-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000422552925 387598651 /nfs/dbraw/zinc/59/86/51/387598651.db2.gz IQGLDSYRQUBAKY-LRDDRELGSA-N 2 2 244.382 2.652 20 0 BFADLP Cc1cc(Cn2c[nH+]c3c2CCCC3)cc[nH+]1 ZINC000527538161 387606295 /nfs/dbraw/zinc/60/62/95/387606295.db2.gz BTIGFTZFTIVIGS-UHFFFAOYSA-N 2 2 227.311 2.514 20 0 BFADLP c1cn(CCC[NH+]2CCC3(CCC3)CC2)c[nH+]1 ZINC000375737792 387578423 /nfs/dbraw/zinc/57/84/23/387578423.db2.gz GDGWIBPFLGRJHD-UHFFFAOYSA-N 2 2 233.359 2.539 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)C(C)(C)C ZINC000163521496 387694837 /nfs/dbraw/zinc/69/48/37/387694837.db2.gz CCNXQINOZKKPQM-GFCCVEGCSA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)C ZINC000163521496 387694840 /nfs/dbraw/zinc/69/48/40/387694840.db2.gz CCNXQINOZKKPQM-GFCCVEGCSA-N 2 2 214.397 2.743 20 0 BFADLP CCCCC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376557436 387650400 /nfs/dbraw/zinc/65/04/00/387650400.db2.gz JPZBJTDDJIWTJP-KGLIPLIRSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376557436 387650402 /nfs/dbraw/zinc/65/04/02/387650402.db2.gz JPZBJTDDJIWTJP-KGLIPLIRSA-N 2 2 224.392 2.735 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000527672129 387654154 /nfs/dbraw/zinc/65/41/54/387654154.db2.gz BYEQRELRZBIABG-QWRGUYRKSA-N 2 2 248.361 2.598 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000527672129 387654160 /nfs/dbraw/zinc/65/41/60/387654160.db2.gz BYEQRELRZBIABG-QWRGUYRKSA-N 2 2 248.361 2.598 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000527672127 387654782 /nfs/dbraw/zinc/65/47/82/387654782.db2.gz BYEQRELRZBIABG-GHMZBOCLSA-N 2 2 248.361 2.598 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000527672127 387654785 /nfs/dbraw/zinc/65/47/85/387654785.db2.gz BYEQRELRZBIABG-GHMZBOCLSA-N 2 2 248.361 2.598 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@H]1CCC[NH2+]1 ZINC000422765387 387664775 /nfs/dbraw/zinc/66/47/75/387664775.db2.gz PDMWVSDLWSNISO-COLVAYQJSA-N 2 2 248.345 2.543 20 0 BFADLP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000422769959 387667503 /nfs/dbraw/zinc/66/75/03/387667503.db2.gz VSNRYXCRLWRRTG-KBPBESRZSA-N 2 2 236.334 2.575 20 0 BFADLP C([NH2+]C1CCCC1)[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527752137 387691201 /nfs/dbraw/zinc/69/12/01/387691201.db2.gz MWPMJEULJPHNON-OAHLLOKOSA-N 2 2 236.403 2.926 20 0 BFADLP C([NH2+]C1CCCC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527752137 387691211 /nfs/dbraw/zinc/69/12/11/387691211.db2.gz MWPMJEULJPHNON-OAHLLOKOSA-N 2 2 236.403 2.926 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCC[C@H](C)C1 ZINC000452061740 387718216 /nfs/dbraw/zinc/71/82/16/387718216.db2.gz PYOQQTDDHKPMTM-IHRRRGAJSA-N 2 2 235.375 2.688 20 0 BFADLP C([NH2+]C1CCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527806321 387727728 /nfs/dbraw/zinc/72/77/28/387727728.db2.gz IXPHJUSUMZRITQ-CQSZACIVSA-N 2 2 222.376 2.536 20 0 BFADLP C([NH2+]C1CCCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527806321 387727731 /nfs/dbraw/zinc/72/77/31/387727731.db2.gz IXPHJUSUMZRITQ-CQSZACIVSA-N 2 2 222.376 2.536 20 0 BFADLP c1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527805157 387729161 /nfs/dbraw/zinc/72/91/61/387729161.db2.gz DDMYYHCBORQDOR-MRXNPFEDSA-N 2 2 244.382 2.793 20 0 BFADLP c1ccc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527805157 387729165 /nfs/dbraw/zinc/72/91/65/387729165.db2.gz DDMYYHCBORQDOR-MRXNPFEDSA-N 2 2 244.382 2.793 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527806340 387730343 /nfs/dbraw/zinc/73/03/43/387730343.db2.gz JHCNCBHGJANULI-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527806340 387730348 /nfs/dbraw/zinc/73/03/48/387730348.db2.gz JHCNCBHGJANULI-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000157192392 387766118 /nfs/dbraw/zinc/76/61/18/387766118.db2.gz JXVNNWUZHMKVQN-AVGNSLFASA-N 2 2 224.392 2.636 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000157192392 387766122 /nfs/dbraw/zinc/76/61/22/387766122.db2.gz JXVNNWUZHMKVQN-AVGNSLFASA-N 2 2 224.392 2.636 20 0 BFADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528342 387768328 /nfs/dbraw/zinc/76/83/28/387768328.db2.gz HGBMTKJPWOFPMR-WDEREUQCSA-N 2 2 238.400 2.796 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C1CCC(C(F)F)CC1 ZINC000442651107 387812183 /nfs/dbraw/zinc/81/21/83/387812183.db2.gz PROHUVXXQUQSJC-UHFFFAOYSA-N 2 2 248.361 2.740 20 0 BFADLP CC(C)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccs1 ZINC000422937350 387782466 /nfs/dbraw/zinc/78/24/66/387782466.db2.gz GCBKGXYJXBEUFT-NWDGAFQWSA-N 2 2 238.400 2.787 20 0 BFADLP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccs1 ZINC000422937351 387783462 /nfs/dbraw/zinc/78/34/62/387783462.db2.gz GCBKGXYJXBEUFT-RYUDHWBXSA-N 2 2 238.400 2.787 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(Cl)c1F ZINC000643526629 387757748 /nfs/dbraw/zinc/75/77/48/387757748.db2.gz CNHYGJNUIFGFTH-LDYMZIIASA-N 2 2 244.741 2.867 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1cccc(Cl)c1F ZINC000643526627 387758595 /nfs/dbraw/zinc/75/85/95/387758595.db2.gz CNHYGJNUIFGFTH-KCJUWKMLSA-N 2 2 244.741 2.867 20 0 BFADLP C[C@@H](C[NH2+]C1CC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000433162264 387873126 /nfs/dbraw/zinc/87/31/26/387873126.db2.gz UBYYVLBQUVENIL-ZDUSSCGKSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CCCC12CC2)[NH+](C)C ZINC000564102987 387832567 /nfs/dbraw/zinc/83/25/67/387832567.db2.gz WSYNVVNGEJCNBW-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+]C1CC(C)(C)C1)[NH+]1CCC(C)CC1 ZINC000433162263 387873356 /nfs/dbraw/zinc/87/33/56/387873356.db2.gz UBYYVLBQUVENIL-CYBMUJFWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000648432431 387843923 /nfs/dbraw/zinc/84/39/23/387843923.db2.gz JJNHRRPEBJFUMO-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000648432431 387843927 /nfs/dbraw/zinc/84/39/27/387843927.db2.gz JJNHRRPEBJFUMO-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000648432430 387844781 /nfs/dbraw/zinc/84/47/81/387844781.db2.gz JJNHRRPEBJFUMO-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000648432430 387844785 /nfs/dbraw/zinc/84/47/85/387844785.db2.gz JJNHRRPEBJFUMO-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CC([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000433147953 387871283 /nfs/dbraw/zinc/87/12/83/387871283.db2.gz POTOKLYPDXKYGL-UHFFFAOYSA-N 2 2 243.354 2.655 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000053201900 387815687 /nfs/dbraw/zinc/81/56/87/387815687.db2.gz VQWCPFAJSJYSSW-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000053201900 387815691 /nfs/dbraw/zinc/81/56/91/387815691.db2.gz VQWCPFAJSJYSSW-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])cc1 ZINC000442660089 387817320 /nfs/dbraw/zinc/81/73/20/387817320.db2.gz LUJOGIKVISBEDT-IUODEOHRSA-N 2 2 248.370 2.569 20 0 BFADLP CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H](C)[NH3+])cc1 ZINC000442660089 387817323 /nfs/dbraw/zinc/81/73/23/387817323.db2.gz LUJOGIKVISBEDT-IUODEOHRSA-N 2 2 248.370 2.569 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000194429128 387880898 /nfs/dbraw/zinc/88/08/98/387880898.db2.gz DDBGHBKAPLZCER-UONOGXRCSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000194429128 387880903 /nfs/dbraw/zinc/88/09/03/387880903.db2.gz DDBGHBKAPLZCER-UONOGXRCSA-N 2 2 246.398 2.862 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000300235401 387919379 /nfs/dbraw/zinc/91/93/79/387919379.db2.gz ADGSOVQBECRKAF-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000300235401 387919384 /nfs/dbraw/zinc/91/93/84/387919384.db2.gz ADGSOVQBECRKAF-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423137362 387914454 /nfs/dbraw/zinc/91/44/54/387914454.db2.gz WFHLXQKJPKGYBB-LSDHHAIUSA-N 2 2 248.345 2.673 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423144618 387920420 /nfs/dbraw/zinc/92/04/20/387920420.db2.gz HNRYBONWMFZMQD-IAQYHMDHSA-N 2 2 230.355 2.577 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CCC(C)C ZINC000289296544 387939637 /nfs/dbraw/zinc/93/96/37/387939637.db2.gz QHTQIDDZMASXGD-UHFFFAOYSA-N 2 2 220.360 2.958 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245572055 387961165 /nfs/dbraw/zinc/96/11/65/387961165.db2.gz GVZLYTHIPYGYCF-BFHYXJOUSA-N 2 2 235.375 2.812 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245572055 387961168 /nfs/dbraw/zinc/96/11/68/387961168.db2.gz GVZLYTHIPYGYCF-BFHYXJOUSA-N 2 2 235.375 2.812 20 0 BFADLP CC1CCC([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000045094443 387963289 /nfs/dbraw/zinc/96/32/89/387963289.db2.gz SFSRXBMTTLPPII-UHFFFAOYSA-N 2 2 235.375 2.832 20 0 BFADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423179427 387966848 /nfs/dbraw/zinc/96/68/48/387966848.db2.gz DEOYMNSEMUWPNM-AAEUAGOBSA-N 2 2 248.370 2.635 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1C ZINC000423187612 387971557 /nfs/dbraw/zinc/97/15/57/387971557.db2.gz KXRQPPPJMRLDLN-KBPBESRZSA-N 2 2 232.371 2.706 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@H](C1CC1)C1CCC1 ZINC000453077515 387979555 /nfs/dbraw/zinc/97/95/55/387979555.db2.gz RCQIHYZKPAWRBV-HNNXBMFYSA-N 2 2 236.403 2.641 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H](C1CC1)C1CCC1)C1CC1 ZINC000453084632 387979686 /nfs/dbraw/zinc/97/96/86/387979686.db2.gz FGXYQNBFSIIQKO-OAHLLOKOSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H](C1CC1)C1CCC1)C1CC1 ZINC000453084632 387979689 /nfs/dbraw/zinc/97/96/89/387979689.db2.gz FGXYQNBFSIIQKO-OAHLLOKOSA-N 2 2 236.403 2.639 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453083038 387980254 /nfs/dbraw/zinc/98/02/54/387980254.db2.gz LCCLRBNUXPNXPL-OAHLLOKOSA-N 2 2 236.403 2.641 20 0 BFADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000453076196 387980819 /nfs/dbraw/zinc/98/08/19/387980819.db2.gz VDRNLLQELDDEQL-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000453076196 387980824 /nfs/dbraw/zinc/98/08/24/387980824.db2.gz VDRNLLQELDDEQL-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423196282 387981336 /nfs/dbraw/zinc/98/13/36/387981336.db2.gz VCFYUGFRTDZMGV-RYUDHWBXSA-N 2 2 224.373 2.541 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000423196622 387981435 /nfs/dbraw/zinc/98/14/35/387981435.db2.gz VSYPAFWFEXQEFL-MNOVXSKESA-N 2 2 238.400 2.713 20 0 BFADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423189550 387972764 /nfs/dbraw/zinc/97/27/64/387972764.db2.gz MVRFGIDFNNGVJB-DZGCQCFKSA-N 2 2 248.345 2.545 20 0 BFADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423189555 387973317 /nfs/dbraw/zinc/97/33/17/387973317.db2.gz MVRFGIDFNNGVJB-ZFWWWQNUSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423191271 387975495 /nfs/dbraw/zinc/97/54/95/387975495.db2.gz OWDQKJBRIQPAKH-ZIAGYGMSSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@H]([NH2+]CC[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000423190481 387975686 /nfs/dbraw/zinc/97/56/86/387975686.db2.gz RTZVJBJGTBHLRI-ZETCQYMHSA-N 2 2 233.142 2.603 20 0 BFADLP C[C@@H]([NH2+]CC[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000423190444 387976624 /nfs/dbraw/zinc/97/66/24/387976624.db2.gz RTZVJBJGTBHLRI-SSDOTTSWSA-N 2 2 233.142 2.603 20 0 BFADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000423190080 387976818 /nfs/dbraw/zinc/97/68/18/387976818.db2.gz NJUFGXCBVGCEJQ-ZFWWWQNUSA-N 2 2 248.345 2.545 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453061312 387977168 /nfs/dbraw/zinc/97/71/68/387977168.db2.gz SPFIBCVIZVVYAK-OAHLLOKOSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453063019 387977289 /nfs/dbraw/zinc/97/72/89/387977289.db2.gz GLVDCRHTMQUFIW-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453063019 387977292 /nfs/dbraw/zinc/97/72/92/387977292.db2.gz GLVDCRHTMQUFIW-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423192158 387978330 /nfs/dbraw/zinc/97/83/30/387978330.db2.gz PQVKCHGZPVUTDK-WWGRRREGSA-N 2 2 244.382 2.967 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000423206192 387991991 /nfs/dbraw/zinc/99/19/91/387991991.db2.gz COAVPMCTJFRDTI-CVEARBPZSA-N 2 2 244.382 2.788 20 0 BFADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424368677 387992145 /nfs/dbraw/zinc/99/21/45/387992145.db2.gz ACPXBMUAYZFKLF-MRVWCRGKSA-N 2 2 247.386 2.565 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000453088661 387982919 /nfs/dbraw/zinc/98/29/19/387982919.db2.gz OIBNGDKFZGASMF-HUUCEWRRSA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000453088661 387982922 /nfs/dbraw/zinc/98/29/22/387982922.db2.gz OIBNGDKFZGASMF-HUUCEWRRSA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245806041 387983916 /nfs/dbraw/zinc/98/39/16/387983916.db2.gz BNHHTUWRFQCYJL-KGLIPLIRSA-N 2 2 249.402 2.721 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245806041 387983921 /nfs/dbraw/zinc/98/39/21/387983921.db2.gz BNHHTUWRFQCYJL-KGLIPLIRSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@@H](CCCC[NH3+])[NH2+]c1ccc2c(c1)CCN2 ZINC000423220801 388002454 /nfs/dbraw/zinc/00/24/54/388002454.db2.gz VUJLHOIXCMNWLD-NSHDSACASA-N 2 2 233.359 2.584 20 0 BFADLP CCCc1ccc([C@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423223101 388003693 /nfs/dbraw/zinc/00/36/93/388003693.db2.gz DUJPUCFIOKPUHA-LBPRGKRZSA-N 2 2 220.360 2.509 20 0 BFADLP CCCc1ccc([C@@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423223100 388003890 /nfs/dbraw/zinc/00/38/90/388003890.db2.gz DUJPUCFIOKPUHA-GFCCVEGCSA-N 2 2 220.360 2.509 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000423222967 388004017 /nfs/dbraw/zinc/00/40/17/388004017.db2.gz DJOCDBOWIGUDQW-HNNXBMFYSA-N 2 2 232.371 2.727 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccncc1 ZINC000453192097 388006763 /nfs/dbraw/zinc/00/67/63/388006763.db2.gz IRHIUTNVQBMMCK-AEGPPILISA-N 2 2 247.386 2.605 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccncc1 ZINC000453192097 388006765 /nfs/dbraw/zinc/00/67/65/388006765.db2.gz IRHIUTNVQBMMCK-AEGPPILISA-N 2 2 247.386 2.605 20 0 BFADLP C[NH2+]CC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000423225618 388007147 /nfs/dbraw/zinc/00/71/47/388007147.db2.gz NMOIRAOEBQBCKB-CQSZACIVSA-N 2 2 234.387 2.973 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000453196765 388008638 /nfs/dbraw/zinc/00/86/38/388008638.db2.gz FPGYPWREQHUCQR-UONOGXRCSA-N 2 2 247.386 2.756 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000246107861 388010769 /nfs/dbraw/zinc/01/07/69/388010769.db2.gz JPRPYXUSHJRTLC-MGPQQGTHSA-N 2 2 235.375 2.688 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000453144654 387996177 /nfs/dbraw/zinc/99/61/77/387996177.db2.gz KOMYJVJYNFTZLF-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000453144654 387996179 /nfs/dbraw/zinc/99/61/79/387996179.db2.gz KOMYJVJYNFTZLF-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000423239959 388024402 /nfs/dbraw/zinc/02/44/02/388024402.db2.gz GLEBWQUKIWSRKF-GFCCVEGCSA-N 2 2 238.350 2.703 20 0 BFADLP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423243620 388025448 /nfs/dbraw/zinc/02/54/48/388025448.db2.gz WOTZTUMPNMACMH-SWLSCSKDSA-N 2 2 244.382 2.751 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C(C)(C)C ZINC000156636885 388012707 /nfs/dbraw/zinc/01/27/07/388012707.db2.gz PKACJYPSRDZOPD-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C(C)(C)C ZINC000156636885 388012712 /nfs/dbraw/zinc/01/27/12/388012712.db2.gz PKACJYPSRDZOPD-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H](C2CC2)C2CCC2)CCC1 ZINC000453216264 388013024 /nfs/dbraw/zinc/01/30/24/388013024.db2.gz JIJYUTPTYVRMMI-CQSZACIVSA-N 2 2 236.403 2.639 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](c1ccc(C)o1)C1CCCC1 ZINC000423227855 388013034 /nfs/dbraw/zinc/01/30/34/388013034.db2.gz XHRLIUCYGUGJLI-CQSZACIVSA-N 2 2 236.359 2.628 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1(C)CC1 ZINC000156637148 388013740 /nfs/dbraw/zinc/01/37/40/388013740.db2.gz CBMQZVONYOIKSN-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1(C)CC1 ZINC000156637148 388013743 /nfs/dbraw/zinc/01/37/43/388013743.db2.gz CBMQZVONYOIKSN-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1csc(Cl)c1 ZINC000423232227 388016864 /nfs/dbraw/zinc/01/68/64/388016864.db2.gz HWNMDJTTWDSUTH-PSASIEDQSA-N 2 2 244.791 2.804 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1C ZINC000423231878 388016967 /nfs/dbraw/zinc/01/69/67/388016967.db2.gz HGRZUMYPGJTYAU-DZGCQCFKSA-N 2 2 232.371 2.706 20 0 BFADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423233836 388019434 /nfs/dbraw/zinc/01/94/34/388019434.db2.gz KMDLPRATBYASNC-UKRRQHHQSA-N 2 2 248.345 2.545 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccco1 ZINC000423236509 388019981 /nfs/dbraw/zinc/01/99/81/388019981.db2.gz HJUQGJAPJBPHKK-DGCLKSJQSA-N 2 2 230.311 2.630 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000423236789 388020816 /nfs/dbraw/zinc/02/08/16/388020816.db2.gz CSBCTVLRGLGZEK-ZDUSSCGKSA-N 2 2 246.398 2.826 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000423235790 388021502 /nfs/dbraw/zinc/02/15/02/388021502.db2.gz BGPPGNMJEJMURQ-CYBMUJFWSA-N 2 2 220.360 2.564 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000423238979 388022419 /nfs/dbraw/zinc/02/24/19/388022419.db2.gz RMCDYAIBLJJBFZ-UONOGXRCSA-N 2 2 236.334 2.618 20 0 BFADLP [NH3+][C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000423239154 388022610 /nfs/dbraw/zinc/02/26/10/388022610.db2.gz AVMRQJUCMDQZCX-XHSDSOJGSA-N 2 2 244.382 2.855 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000423238227 388022784 /nfs/dbraw/zinc/02/27/84/388022784.db2.gz QXUSPXLXQMSTSF-GFCCVEGCSA-N 2 2 232.371 2.824 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000423251834 388033266 /nfs/dbraw/zinc/03/32/66/388033266.db2.gz XCTPQBVGYNMNIF-IUODEOHRSA-N 2 2 232.371 2.824 20 0 BFADLP C[NH2+]CC[NH2+][C@H](c1ccc(C)cc1)C1CCC1 ZINC000423251293 388033615 /nfs/dbraw/zinc/03/36/15/388033615.db2.gz VTNHWKMBGJSHCN-HNNXBMFYSA-N 2 2 232.371 2.645 20 0 BFADLP [NH3+][C@H](C[NH2+][C@@H](C1CC1)C1CCC1)c1ccccc1 ZINC000423251201 388033648 /nfs/dbraw/zinc/03/36/48/388033648.db2.gz ROVQWTZDSQKHGZ-HZPDHXFCSA-N 2 2 244.382 2.855 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000423253465 388034843 /nfs/dbraw/zinc/03/48/43/388034843.db2.gz ZDNZQHHBRJONGS-ZDUSSCGKSA-N 2 2 238.762 2.526 20 0 BFADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@H]1CC1(C)C ZINC000423252657 388035022 /nfs/dbraw/zinc/03/50/22/388035022.db2.gz XZPDPOSRMRLXCS-YUTCNCBUSA-N 2 2 232.371 2.711 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)oc1C ZINC000423259536 388039168 /nfs/dbraw/zinc/03/91/68/388039168.db2.gz FFJXYTLOZCCSEN-DGCLKSJQSA-N 2 2 238.375 2.920 20 0 BFADLP C[C@H](CC1CC1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000446843293 388042440 /nfs/dbraw/zinc/04/24/40/388042440.db2.gz MAYMFJFTCJWLBN-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CC1CC1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000446843293 388042443 /nfs/dbraw/zinc/04/24/43/388042443.db2.gz MAYMFJFTCJWLBN-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000082859330 388043155 /nfs/dbraw/zinc/04/31/55/388043155.db2.gz MJTMOSUBSQVDHW-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000082859330 388043157 /nfs/dbraw/zinc/04/31/57/388043157.db2.gz MJTMOSUBSQVDHW-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000423242328 388026928 /nfs/dbraw/zinc/02/69/28/388026928.db2.gz JFBSTCCINRSRQB-ZDUSSCGKSA-N 2 2 238.762 2.526 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccccc1SC ZINC000423245516 388028674 /nfs/dbraw/zinc/02/86/74/388028674.db2.gz YMRANIFQMZMKAY-NSHDSACASA-N 2 2 238.400 2.669 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000423246539 388030275 /nfs/dbraw/zinc/03/02/75/388030275.db2.gz NSXAFHFZZHZZKA-LLVKDONJSA-N 2 2 232.327 2.693 20 0 BFADLP [NH3+][C@@H](C[NH2+][C@@H]1CCCC12CCC2)c1ccccc1 ZINC000423250305 388031139 /nfs/dbraw/zinc/03/11/39/388031139.db2.gz QCAMBYOYBZYDNY-LSDHHAIUSA-N 2 2 244.382 2.999 20 0 BFADLP [NH3+][C@H](C[NH2+][C@@H]1CCCC12CCC2)c1ccccc1 ZINC000423250303 388031808 /nfs/dbraw/zinc/03/18/08/388031808.db2.gz QCAMBYOYBZYDNY-HUUCEWRRSA-N 2 2 244.382 2.999 20 0 BFADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423280471 388061900 /nfs/dbraw/zinc/06/19/00/388061900.db2.gz SQITXTXHBLHCJH-GXFFZTMASA-N 2 2 244.338 2.821 20 0 BFADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1Cl ZINC000423281168 388063777 /nfs/dbraw/zinc/06/37/77/388063777.db2.gz APRPUOKBPURWLF-MRVPVSSYSA-N 2 2 244.741 2.867 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423285909 388069142 /nfs/dbraw/zinc/06/91/42/388069142.db2.gz ZTIUKLFTVKEFLC-JOYOIKCWSA-N 2 2 242.313 2.599 20 0 BFADLP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1F ZINC000423286331 388071679 /nfs/dbraw/zinc/07/16/79/388071679.db2.gz GPHZIDSAQNQGAR-LBPRGKRZSA-N 2 2 224.323 2.604 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453402122 388073488 /nfs/dbraw/zinc/07/34/88/388073488.db2.gz PQAYSBKYUSLGML-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453402122 388073489 /nfs/dbraw/zinc/07/34/89/388073489.db2.gz PQAYSBKYUSLGML-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CC([NH2+]CC[NH+]2CCCCC2)C[C@H](C)C1 ZINC000084469128 388077334 /nfs/dbraw/zinc/07/73/34/388077334.db2.gz BWMKPWJIINVLPP-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(C)ccn1 ZINC000423296696 388078310 /nfs/dbraw/zinc/07/83/10/388078310.db2.gz HKGYXIAKJOOYLY-CHWSQXEVSA-N 2 2 235.375 2.558 20 0 BFADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000423295917 388078751 /nfs/dbraw/zinc/07/87/51/388078751.db2.gz XTYUGXTWBUALLL-GFCCVEGCSA-N 2 2 235.375 2.558 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000447604103 388081956 /nfs/dbraw/zinc/08/19/56/388081956.db2.gz YPJHTASQGZGSBI-GJZGRUSLSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000447604103 388081958 /nfs/dbraw/zinc/08/19/58/388081958.db2.gz YPJHTASQGZGSBI-GJZGRUSLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000085088873 388083521 /nfs/dbraw/zinc/08/35/21/388083521.db2.gz ISXNPZUEJVQWLL-HZSPNIEDSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000083055382 388044748 /nfs/dbraw/zinc/04/47/48/388044748.db2.gz WSGXCKIRWDCMQP-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449257811 388163669 /nfs/dbraw/zinc/16/36/69/388163669.db2.gz KHQOXPQENYDIPH-RYUDHWBXSA-N 2 2 235.375 2.612 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@H+](CCn2cc[nH+]c2C)C1 ZINC000449271140 388165699 /nfs/dbraw/zinc/16/56/99/388165699.db2.gz NUQPHORXZMRRGV-GXTWGEPZSA-N 2 2 235.375 2.702 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000449271140 388165701 /nfs/dbraw/zinc/16/57/01/388165701.db2.gz NUQPHORXZMRRGV-GXTWGEPZSA-N 2 2 235.375 2.702 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000449333901 388174924 /nfs/dbraw/zinc/17/49/24/388174924.db2.gz IDHHAYMCCHQVNL-CZXHOFHRSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000449333901 388174927 /nfs/dbraw/zinc/17/49/27/388174927.db2.gz IDHHAYMCCHQVNL-CZXHOFHRSA-N 2 2 247.386 2.681 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000449335979 388175209 /nfs/dbraw/zinc/17/52/09/388175209.db2.gz MICOUZUCJMDRPQ-QWHCGFSZSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000449335979 388175212 /nfs/dbraw/zinc/17/52/12/388175212.db2.gz MICOUZUCJMDRPQ-QWHCGFSZSA-N 2 2 247.386 2.825 20 0 BFADLP Cc1cccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCC2)c1 ZINC000646022490 388126118 /nfs/dbraw/zinc/12/61/18/388126118.db2.gz JJFHGENVGFYIEC-UHFFFAOYSA-N 2 2 241.338 2.887 20 0 BFADLP CC/C=C\C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449460346 388211027 /nfs/dbraw/zinc/21/10/27/388211027.db2.gz RMJHLSNSXLTOOS-PLNGDYQASA-N 2 2 229.327 2.699 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)[C@H](C)c1ccccc1 ZINC000449557719 388231545 /nfs/dbraw/zinc/23/15/45/388231545.db2.gz SLKXCEZRJWIGKM-MELADBBJSA-N 2 2 234.387 2.718 20 0 BFADLP C[C@@H](CCc1ccccc1)C[NH2+]C[C@H](C)[NH+](C)C ZINC000449558670 388231562 /nfs/dbraw/zinc/23/15/62/388231562.db2.gz YXDWLTRDUVOFOT-GJZGRUSLSA-N 2 2 248.414 2.795 20 0 BFADLP CCC1(CC)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459423183 388243452 /nfs/dbraw/zinc/24/34/52/388243452.db2.gz GOIWNOQYVHYUET-UHFFFAOYSA-N 2 2 249.402 2.865 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000459421317 388243879 /nfs/dbraw/zinc/24/38/79/388243879.db2.gz YRQNHGRKSBPCKV-ZFWWWQNUSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000459421317 388243882 /nfs/dbraw/zinc/24/38/82/388243882.db2.gz YRQNHGRKSBPCKV-ZFWWWQNUSA-N 2 2 249.402 2.863 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000459443305 388245013 /nfs/dbraw/zinc/24/50/13/388245013.db2.gz MQNKLZUMDMLLTE-CYBMUJFWSA-N 2 2 249.402 2.721 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000459443305 388245016 /nfs/dbraw/zinc/24/50/16/388245016.db2.gz MQNKLZUMDMLLTE-CYBMUJFWSA-N 2 2 249.402 2.721 20 0 BFADLP Cc1ccc(C)c(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1 ZINC000524718432 388376695 /nfs/dbraw/zinc/37/66/95/388376695.db2.gz DQJYNSSJNVFXOS-CQSZACIVSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1ccc(C)c(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000524718432 388376698 /nfs/dbraw/zinc/37/66/98/388376698.db2.gz DQJYNSSJNVFXOS-CQSZACIVSA-N 2 2 246.398 2.735 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCC1 ZINC000322618449 388441435 /nfs/dbraw/zinc/44/14/35/388441435.db2.gz FFARXOCCEFSJEA-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC000322618449 388441436 /nfs/dbraw/zinc/44/14/36/388441436.db2.gz FFARXOCCEFSJEA-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000575999846 388478651 /nfs/dbraw/zinc/47/86/51/388478651.db2.gz MXVFMUAHAIRTIY-KGLIPLIRSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000575999846 388478654 /nfs/dbraw/zinc/47/86/54/388478654.db2.gz MXVFMUAHAIRTIY-KGLIPLIRSA-N 2 2 249.402 2.721 20 0 BFADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000573104356 388420171 /nfs/dbraw/zinc/42/01/71/388420171.db2.gz PAPNEXXSIFPRJD-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000573104356 388420175 /nfs/dbraw/zinc/42/01/75/388420175.db2.gz PAPNEXXSIFPRJD-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1ccc(NC2CC[NH+](C3CC3)CC2)c(C)[nH+]1 ZINC000297617789 388431037 /nfs/dbraw/zinc/43/10/37/388431037.db2.gz LDRLHKOURVIELT-UHFFFAOYSA-N 2 2 245.370 2.737 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CCC1 ZINC000322500977 388436500 /nfs/dbraw/zinc/43/65/00/388436500.db2.gz CGXGWMNFDGCIRO-BXUZGUMPSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CCC1 ZINC000322500977 388436503 /nfs/dbraw/zinc/43/65/03/388436503.db2.gz CGXGWMNFDGCIRO-BXUZGUMPSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](CC)C1CC1 ZINC000167199202 388438996 /nfs/dbraw/zinc/43/89/96/388438996.db2.gz HXFQOBCBYYBKMT-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](CC)C1CC1 ZINC000167199202 388439000 /nfs/dbraw/zinc/43/90/00/388439000.db2.gz HXFQOBCBYYBKMT-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C/C(Cl)=C\C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528507803 388537262 /nfs/dbraw/zinc/53/72/62/388537262.db2.gz UXAKKHNXPGKYAZ-TYIDFTHSSA-N 2 2 242.794 2.686 20 0 BFADLP C/C(Cl)=C\C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528507803 388537265 /nfs/dbraw/zinc/53/72/65/388537265.db2.gz UXAKKHNXPGKYAZ-TYIDFTHSSA-N 2 2 242.794 2.686 20 0 BFADLP C/C(Cl)=C\C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000528507803 388537269 /nfs/dbraw/zinc/53/72/69/388537269.db2.gz UXAKKHNXPGKYAZ-TYIDFTHSSA-N 2 2 242.794 2.686 20 0 BFADLP C/C(Cl)=C\C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000528507803 388537272 /nfs/dbraw/zinc/53/72/72/388537272.db2.gz UXAKKHNXPGKYAZ-TYIDFTHSSA-N 2 2 242.794 2.686 20 0 BFADLP Cc1ccc(CO[C@@H](C)Cc2[nH]cc[nH+]2)c(C)[nH+]1 ZINC000548474436 388542276 /nfs/dbraw/zinc/54/22/76/388542276.db2.gz YNELUYBEKWESBD-NSHDSACASA-N 2 2 245.326 2.569 20 0 BFADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397592145 388482329 /nfs/dbraw/zinc/48/23/29/388482329.db2.gz KDOIFYUYLYOJHD-QWHCGFSZSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397758701 388497124 /nfs/dbraw/zinc/49/71/24/388497124.db2.gz HGPMSMBFADSPPH-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397758700 388497205 /nfs/dbraw/zinc/49/72/05/388497205.db2.gz HGPMSMBFADSPPH-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397801539 388500134 /nfs/dbraw/zinc/50/01/34/388500134.db2.gz LSTYZQHFUWTGIX-JSGCOSHPSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397801541 388500348 /nfs/dbraw/zinc/50/03/48/388500348.db2.gz LSTYZQHFUWTGIX-OCCSQVGLSA-N 2 2 236.403 2.663 20 0 BFADLP CCCC[C@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000397991561 388514220 /nfs/dbraw/zinc/51/42/20/388514220.db2.gz XGTBAYKGEQUQDU-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP C/C(Cl)=C\C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528427172 388523208 /nfs/dbraw/zinc/52/32/08/388523208.db2.gz VJMADSBYRNPTPW-WTDSWWLTSA-N 2 2 239.750 2.732 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000516988580 388530604 /nfs/dbraw/zinc/53/06/04/388530604.db2.gz ZWKWESCWWNGFGL-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000516988580 388530605 /nfs/dbraw/zinc/53/06/05/388530605.db2.gz ZWKWESCWWNGFGL-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000517042081 388535704 /nfs/dbraw/zinc/53/57/04/388535704.db2.gz LDDVABXNVGYPAK-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000517042081 388535708 /nfs/dbraw/zinc/53/57/08/388535708.db2.gz LDDVABXNVGYPAK-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000517042080 388536135 /nfs/dbraw/zinc/53/61/35/388536135.db2.gz LDDVABXNVGYPAK-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000517042080 388536136 /nfs/dbraw/zinc/53/61/36/388536136.db2.gz LDDVABXNVGYPAK-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP C/C(Cl)=C\C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000528512536 388537079 /nfs/dbraw/zinc/53/70/79/388537079.db2.gz LZZSGXFMFXQVKX-VFJIKVCNSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000528512536 388537081 /nfs/dbraw/zinc/53/70/81/388537081.db2.gz LZZSGXFMFXQVKX-VFJIKVCNSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000528512536 388537084 /nfs/dbraw/zinc/53/70/84/388537084.db2.gz LZZSGXFMFXQVKX-VFJIKVCNSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000528512536 388537085 /nfs/dbraw/zinc/53/70/85/388537085.db2.gz LZZSGXFMFXQVKX-VFJIKVCNSA-N 2 2 242.794 2.547 20 0 BFADLP CCC[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000187663866 388610516 /nfs/dbraw/zinc/61/05/16/388610516.db2.gz RJKUOYXAYWYUDR-LBPRGKRZSA-N 2 2 221.348 2.709 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c[nH+]1 ZINC000548884853 388568075 /nfs/dbraw/zinc/56/80/75/388568075.db2.gz KIMZGLULJKETCF-HUUCEWRRSA-N 2 2 247.386 2.832 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884679 388568178 /nfs/dbraw/zinc/56/81/78/388568178.db2.gz BTNZGZQVVZPQKX-GBJTYRQASA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884679 388568179 /nfs/dbraw/zinc/56/81/79/388568179.db2.gz BTNZGZQVVZPQKX-GBJTYRQASA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H](C)c1ccccc1 ZINC000154533250 388626711 /nfs/dbraw/zinc/62/67/11/388626711.db2.gz UUQGKUUQITUMAM-LZWOXQAQSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H](C)c1ccccc1 ZINC000154533250 388626715 /nfs/dbraw/zinc/62/67/15/388626715.db2.gz UUQGKUUQITUMAM-LZWOXQAQSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154533476 388626754 /nfs/dbraw/zinc/62/67/54/388626754.db2.gz UUQGKUUQITUMAM-DZKIICNBSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154533476 388626756 /nfs/dbraw/zinc/62/67/56/388626756.db2.gz UUQGKUUQITUMAM-DZKIICNBSA-N 2 2 246.398 2.862 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000222677307 388642792 /nfs/dbraw/zinc/64/27/92/388642792.db2.gz FHNNHCAGDGWEEE-QNWHQSFQSA-N 2 2 224.392 2.636 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000222677307 388642793 /nfs/dbraw/zinc/64/27/93/388642793.db2.gz FHNNHCAGDGWEEE-QNWHQSFQSA-N 2 2 224.392 2.636 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000328513826 388644635 /nfs/dbraw/zinc/64/46/35/388644635.db2.gz OTTVQXXTJOLVLQ-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000328513826 388644637 /nfs/dbraw/zinc/64/46/37/388644637.db2.gz OTTVQXXTJOLVLQ-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@H]([N@H+](C)CCCn1cc[nH+]c1)C(C)(C)C ZINC000538350616 388685155 /nfs/dbraw/zinc/68/51/55/388685155.db2.gz MLVINRMXXIUVTB-LBPRGKRZSA-N 2 2 223.364 2.640 20 0 BFADLP C[C@H]([N@@H+](C)CCCn1cc[nH+]c1)C(C)(C)C ZINC000538350616 388685157 /nfs/dbraw/zinc/68/51/57/388685157.db2.gz MLVINRMXXIUVTB-LBPRGKRZSA-N 2 2 223.364 2.640 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000247103862 388658406 /nfs/dbraw/zinc/65/84/06/388658406.db2.gz QCZUUBRQYAEAFG-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000247103862 388658409 /nfs/dbraw/zinc/65/84/09/388658409.db2.gz QCZUUBRQYAEAFG-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000552043651 388663879 /nfs/dbraw/zinc/66/38/79/388663879.db2.gz WXJUODJVXGSBLD-KBPBESRZSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000554086592 388799980 /nfs/dbraw/zinc/79/99/80/388799980.db2.gz XXDFBPZWSNZQCI-DARAHFNDSA-N 2 2 246.398 2.718 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000252713020 388773755 /nfs/dbraw/zinc/77/37/55/388773755.db2.gz OBRBSFJBOVQLII-OUCADQQQSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000252713020 388773757 /nfs/dbraw/zinc/77/37/57/388773757.db2.gz OBRBSFJBOVQLII-OUCADQQQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C)CC1 ZINC000554536635 388821409 /nfs/dbraw/zinc/82/14/09/388821409.db2.gz HAVXMQJOLGKAGW-HNQLUHSGSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C)CC1 ZINC000554536635 388821410 /nfs/dbraw/zinc/82/14/10/388821410.db2.gz HAVXMQJOLGKAGW-HNQLUHSGSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000230992809 388834184 /nfs/dbraw/zinc/83/41/84/388834184.db2.gz AJABRQXPMWSJNN-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccoc2)CC1 ZINC000094867737 388874768 /nfs/dbraw/zinc/87/47/68/388874768.db2.gz XLCLKFGGCVQPGF-GFCCVEGCSA-N 2 2 236.359 2.805 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC[C@@H]2C)n1C ZINC000565371923 388940413 /nfs/dbraw/zinc/94/04/13/388940413.db2.gz LNFUQIHMIJFPHJ-WCQYABFASA-N 2 2 235.375 2.644 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@H]1C ZINC000565551007 388954326 /nfs/dbraw/zinc/95/43/26/388954326.db2.gz ULDRXZBEPJEZBD-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)[C@H]1C ZINC000494995416 533646590 /nfs/dbraw/zinc/64/65/90/533646590.db2.gz JRDILUKBYMQVSG-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)[C@H]1C ZINC000494995416 533646598 /nfs/dbraw/zinc/64/65/98/533646598.db2.gz JRDILUKBYMQVSG-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cc[nH+]cc1N1CC[NH+](CCC(C)C)CC1 ZINC000340602072 132222506 /nfs/dbraw/zinc/22/25/06/132222506.db2.gz ZSCDAFZXZUAFJM-UHFFFAOYSA-N 2 2 247.386 2.558 20 0 BFADLP Cc1cc(C)cc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000347186043 133811076 /nfs/dbraw/zinc/81/10/76/133811076.db2.gz ZRIDLOCHBDUIBN-MRXNPFEDSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)cc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000347186043 133811077 /nfs/dbraw/zinc/81/10/77/133811077.db2.gz ZRIDLOCHBDUIBN-MRXNPFEDSA-N 2 2 244.382 2.630 20 0 BFADLP C[C@H]1C[C@H](C)[NH+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000336071136 134071749 /nfs/dbraw/zinc/07/17/49/134071749.db2.gz BBHZBFYMTYFCFZ-QWRGUYRKSA-N 2 2 247.367 2.917 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000336180145 134119306 /nfs/dbraw/zinc/11/93/06/134119306.db2.gz YVCZXROFUYMHIK-UHFFFAOYSA-N 2 2 247.386 2.848 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCCC2(CCCC2)C1 ZINC000336180145 134119307 /nfs/dbraw/zinc/11/93/07/134119307.db2.gz YVCZXROFUYMHIK-UHFFFAOYSA-N 2 2 247.386 2.848 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H]1C ZINC000336194602 134125378 /nfs/dbraw/zinc/12/53/78/134125378.db2.gz RUMHDHZDWPXVOX-KBPBESRZSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H]1C ZINC000336194602 134125379 /nfs/dbraw/zinc/12/53/79/134125379.db2.gz RUMHDHZDWPXVOX-KBPBESRZSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@H]1C ZINC000336194602 134125380 /nfs/dbraw/zinc/12/53/80/134125380.db2.gz RUMHDHZDWPXVOX-KBPBESRZSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@H]1C ZINC000336194602 134125381 /nfs/dbraw/zinc/12/53/81/134125381.db2.gz RUMHDHZDWPXVOX-KBPBESRZSA-N 2 2 224.392 2.734 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCCc2ccccc21 ZINC000168726666 134247309 /nfs/dbraw/zinc/24/73/09/134247309.db2.gz UAFKXSQBFXQREU-DOMZBBRYSA-N 2 2 232.371 2.604 20 0 BFADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000178507712 134307467 /nfs/dbraw/zinc/30/74/67/134307467.db2.gz WNQVCKASSKJMBV-AWEZNQCLSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000178507712 134307468 /nfs/dbraw/zinc/30/74/68/134307468.db2.gz WNQVCKASSKJMBV-AWEZNQCLSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CCC1 ZINC000178507725 134307550 /nfs/dbraw/zinc/30/75/50/134307550.db2.gz WNQVCKASSKJMBV-CQSZACIVSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CCC1 ZINC000178507725 134307551 /nfs/dbraw/zinc/30/75/51/134307551.db2.gz WNQVCKASSKJMBV-CQSZACIVSA-N 2 2 246.398 2.897 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000221783120 134326257 /nfs/dbraw/zinc/32/62/57/134326257.db2.gz RZIRFKIKMWMNHI-WCFLWFBJSA-N 2 2 236.359 2.721 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000221783120 134326258 /nfs/dbraw/zinc/32/62/58/134326258.db2.gz RZIRFKIKMWMNHI-WCFLWFBJSA-N 2 2 236.359 2.721 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000226770258 134370890 /nfs/dbraw/zinc/37/08/90/134370890.db2.gz ISDUZGFIFHCGNE-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000226770258 134370891 /nfs/dbraw/zinc/37/08/91/134370891.db2.gz ISDUZGFIFHCGNE-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc(F)c(C[NH2+][C@H](C)CC[NH+](C)C)c1 ZINC000227285945 134379781 /nfs/dbraw/zinc/37/97/81/134379781.db2.gz BBEZXFMTVCTFDF-GFCCVEGCSA-N 2 2 238.350 2.564 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227601738 134387893 /nfs/dbraw/zinc/38/78/93/134387893.db2.gz UKGCIJPAOZGRHU-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)[NH+](C)C ZINC000061839068 134393201 /nfs/dbraw/zinc/39/32/01/134393201.db2.gz AKXDIVGFWGDWMF-ZDUSSCGKSA-N 2 2 228.424 2.989 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]([NH3+])CC(C)C)c1nccs1 ZINC000070733378 135011717 /nfs/dbraw/zinc/01/17/17/135011717.db2.gz GUWKSGVBKINNKH-QWRGUYRKSA-N 2 2 241.404 2.557 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000251606252 135072505 /nfs/dbraw/zinc/07/25/05/135072505.db2.gz BXBUBDGZWBXUKP-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000251606252 135072506 /nfs/dbraw/zinc/07/25/06/135072506.db2.gz BXBUBDGZWBXUKP-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252086725 135082924 /nfs/dbraw/zinc/08/29/24/135082924.db2.gz GOZVUGRBJGHRDR-RFQIPJPRSA-N 2 2 235.375 2.686 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H](C)[NH+](C)C ZINC000252458306 135089998 /nfs/dbraw/zinc/08/99/98/135089998.db2.gz YOJXBLQDCVFGOI-RWMBFGLXSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)[C@H]1C[NH3+] ZINC000252463981 135090937 /nfs/dbraw/zinc/09/09/37/135090937.db2.gz TYONOIQAFLMFIA-DGNXDGCUSA-N 2 2 244.382 2.759 20 0 BFADLP C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)[C@H]1C[NH3+] ZINC000252463981 135090939 /nfs/dbraw/zinc/09/09/39/135090939.db2.gz TYONOIQAFLMFIA-DGNXDGCUSA-N 2 2 244.382 2.759 20 0 BFADLP CC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000252643736 135093479 /nfs/dbraw/zinc/09/34/79/135093479.db2.gz GFYNRSURRBQGDM-YCPHGPKFSA-N 2 2 246.398 2.895 20 0 BFADLP CC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000252643736 135093481 /nfs/dbraw/zinc/09/34/81/135093481.db2.gz GFYNRSURRBQGDM-YCPHGPKFSA-N 2 2 246.398 2.895 20 0 BFADLP C(C1CCCCC1)[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000252667836 135096052 /nfs/dbraw/zinc/09/60/52/135096052.db2.gz OSTMFNKJHXDFCH-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCCC1)[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000252667836 135096054 /nfs/dbraw/zinc/09/60/54/135096054.db2.gz OSTMFNKJHXDFCH-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCCC1)[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252667836 135096056 /nfs/dbraw/zinc/09/60/56/135096056.db2.gz OSTMFNKJHXDFCH-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCCC1)[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000252667836 135096058 /nfs/dbraw/zinc/09/60/58/135096058.db2.gz OSTMFNKJHXDFCH-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]CCC1CCCCC1 ZINC000087473406 135142842 /nfs/dbraw/zinc/14/28/42/135142842.db2.gz BSMDBKLIJCLKBO-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]CCC1CCCCC1 ZINC000087473406 135142844 /nfs/dbraw/zinc/14/28/44/135142844.db2.gz BSMDBKLIJCLKBO-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@@H+](Cc1ccc(Cl)s1)C[C@H](C)[NH3+] ZINC000261532044 135161520 /nfs/dbraw/zinc/16/15/20/135161520.db2.gz IWPSGXDIHJXIII-QMMMGPOBSA-N 2 2 232.780 2.571 20 0 BFADLP CC[N@H+](Cc1ccc(Cl)s1)C[C@H](C)[NH3+] ZINC000261532044 135161521 /nfs/dbraw/zinc/16/15/21/135161521.db2.gz IWPSGXDIHJXIII-QMMMGPOBSA-N 2 2 232.780 2.571 20 0 BFADLP CC[N@@H+](Cc1ccc(Cl)s1)C[C@@H](C)[NH3+] ZINC000261532043 135162040 /nfs/dbraw/zinc/16/20/40/135162040.db2.gz IWPSGXDIHJXIII-MRVPVSSYSA-N 2 2 232.780 2.571 20 0 BFADLP CC[N@H+](Cc1ccc(Cl)s1)C[C@@H](C)[NH3+] ZINC000261532043 135162042 /nfs/dbraw/zinc/16/20/42/135162042.db2.gz IWPSGXDIHJXIII-MRVPVSSYSA-N 2 2 232.780 2.571 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087769467 135167470 /nfs/dbraw/zinc/16/74/70/135167470.db2.gz WYCQWLHHJPRKBL-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087769467 135167471 /nfs/dbraw/zinc/16/74/71/135167471.db2.gz WYCQWLHHJPRKBL-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000261538706 135176346 /nfs/dbraw/zinc/17/63/46/135176346.db2.gz YZQSKPUNNXNWHW-NSHDSACASA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000261538706 135176347 /nfs/dbraw/zinc/17/63/47/135176347.db2.gz YZQSKPUNNXNWHW-NSHDSACASA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000261555835 135196046 /nfs/dbraw/zinc/19/60/46/135196046.db2.gz QCSKHBYGZBFDPS-MNOVXSKESA-N 2 2 232.327 2.773 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000261555835 135196047 /nfs/dbraw/zinc/19/60/47/135196047.db2.gz QCSKHBYGZBFDPS-MNOVXSKESA-N 2 2 232.327 2.773 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000261560465 135200839 /nfs/dbraw/zinc/20/08/39/135200839.db2.gz UQPQXISGDKZFKC-DCAQKATOSA-N 2 2 232.327 2.819 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000261560467 135201542 /nfs/dbraw/zinc/20/15/42/135201542.db2.gz UQPQXISGDKZFKC-MXWKQRLJSA-N 2 2 232.327 2.819 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000261564701 135206781 /nfs/dbraw/zinc/20/67/81/135206781.db2.gz HJZIJWFXMLROAS-IUODEOHRSA-N 2 2 246.398 2.906 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000261564701 135206782 /nfs/dbraw/zinc/20/67/82/135206782.db2.gz HJZIJWFXMLROAS-IUODEOHRSA-N 2 2 246.398 2.906 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261591811 135232708 /nfs/dbraw/zinc/23/27/08/135232708.db2.gz YARGTBPNFJYVKL-QMTHXVAHSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000261591811 135232709 /nfs/dbraw/zinc/23/27/09/135232709.db2.gz YARGTBPNFJYVKL-QMTHXVAHSA-N 2 2 244.338 2.663 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000262035900 135274516 /nfs/dbraw/zinc/27/45/16/135274516.db2.gz XTFNSBNXUBUKLH-UHFFFAOYSA-N 2 2 232.371 2.517 20 0 BFADLP CC(C)([NH3+])C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC000262035900 135274518 /nfs/dbraw/zinc/27/45/18/135274518.db2.gz XTFNSBNXUBUKLH-UHFFFAOYSA-N 2 2 232.371 2.517 20 0 BFADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC1(C)C ZINC000342697954 135306357 /nfs/dbraw/zinc/30/63/57/135306357.db2.gz LOHZYNJVUIXZMC-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC1(C)C ZINC000342697954 135306359 /nfs/dbraw/zinc/30/63/59/135306359.db2.gz LOHZYNJVUIXZMC-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CC([NH2+]CC[N@H+](C)Cc2ccccc2)C1 ZINC000342740487 135310729 /nfs/dbraw/zinc/31/07/29/135310729.db2.gz UZLXPQNPGHZBQN-UHFFFAOYSA-N 2 2 246.398 2.897 20 0 BFADLP CCC1CC([NH2+]CC[N@@H+](C)Cc2ccccc2)C1 ZINC000342740487 135310730 /nfs/dbraw/zinc/31/07/30/135310730.db2.gz UZLXPQNPGHZBQN-UHFFFAOYSA-N 2 2 246.398 2.897 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000342714360 135313962 /nfs/dbraw/zinc/31/39/62/135313962.db2.gz UTWPRDCGOOMNAM-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000342714360 135313963 /nfs/dbraw/zinc/31/39/63/135313963.db2.gz UTWPRDCGOOMNAM-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP CCC1CC([NH2+]C[C@H]2CCCn3cc[nH+]c32)C1 ZINC000342731759 135316269 /nfs/dbraw/zinc/31/62/69/135316269.db2.gz LKYWFTKVODNJKO-OTTFEQOBSA-N 2 2 233.359 2.539 20 0 BFADLP CC(C)[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342910914 135334317 /nfs/dbraw/zinc/33/43/17/135334317.db2.gz KWYDQQHHWHEKGZ-ZDUSSCGKSA-N 2 2 243.354 2.812 20 0 BFADLP CC(C)[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342910914 135334319 /nfs/dbraw/zinc/33/43/19/135334319.db2.gz KWYDQQHHWHEKGZ-ZDUSSCGKSA-N 2 2 243.354 2.812 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000343072591 135356517 /nfs/dbraw/zinc/35/65/17/135356517.db2.gz QGPIUBFTPNPNMG-HIFRSBDPSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC000343072591 135356518 /nfs/dbraw/zinc/35/65/18/135356518.db2.gz QGPIUBFTPNPNMG-HIFRSBDPSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079977265 135365260 /nfs/dbraw/zinc/36/52/60/135365260.db2.gz UMQYMOSSTAKSSP-STQMWFEESA-N 2 2 235.375 2.830 20 0 BFADLP CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000080655753 135382934 /nfs/dbraw/zinc/38/29/34/135382934.db2.gz YOLLQVWXRLIXOU-KGLIPLIRSA-N 2 2 224.392 2.734 20 0 BFADLP CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000080655753 135382935 /nfs/dbraw/zinc/38/29/35/135382935.db2.gz YOLLQVWXRLIXOU-KGLIPLIRSA-N 2 2 224.392 2.734 20 0 BFADLP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000080655753 135382937 /nfs/dbraw/zinc/38/29/37/135382937.db2.gz YOLLQVWXRLIXOU-KGLIPLIRSA-N 2 2 224.392 2.734 20 0 BFADLP CCCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000080655753 135382938 /nfs/dbraw/zinc/38/29/38/135382938.db2.gz YOLLQVWXRLIXOU-KGLIPLIRSA-N 2 2 224.392 2.734 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCc1c[nH+]cn1C ZINC000347744586 136010978 /nfs/dbraw/zinc/01/09/78/136010978.db2.gz GSSWQTAAUOGQMP-NFAWXSAZSA-N 2 2 247.386 2.616 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCc1c[nH+]cn1C ZINC000347744586 136010979 /nfs/dbraw/zinc/01/09/79/136010979.db2.gz GSSWQTAAUOGQMP-NFAWXSAZSA-N 2 2 247.386 2.616 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+](C)Cc1ccc[nH]1 ZINC000347885170 136015025 /nfs/dbraw/zinc/01/50/25/136015025.db2.gz SFBWNOANXBBWTP-UHFFFAOYSA-N 2 2 243.354 2.783 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+](C)Cc1ccc[nH]1 ZINC000347885170 136015026 /nfs/dbraw/zinc/01/50/26/136015026.db2.gz SFBWNOANXBBWTP-UHFFFAOYSA-N 2 2 243.354 2.783 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000348075025 136034218 /nfs/dbraw/zinc/03/42/18/136034218.db2.gz FFADWYVQEDLPAK-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000335325936 136051872 /nfs/dbraw/zinc/05/18/72/136051872.db2.gz KRGFAYFZUAUNPQ-LBPRGKRZSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000335325936 136051873 /nfs/dbraw/zinc/05/18/73/136051873.db2.gz KRGFAYFZUAUNPQ-LBPRGKRZSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000348269815 136058070 /nfs/dbraw/zinc/05/80/70/136058070.db2.gz GIAOXMDOEUNMKT-LUYZLQTOSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000348269817 136058473 /nfs/dbraw/zinc/05/84/73/136058473.db2.gz GIAOXMDOEUNMKT-VDERGJSUSA-N 2 2 246.398 2.718 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000348276711 136059517 /nfs/dbraw/zinc/05/95/17/136059517.db2.gz DXVYQJICCVQNSC-YNEHKIRRSA-N 2 2 247.386 2.612 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000348297540 136063109 /nfs/dbraw/zinc/06/31/09/136063109.db2.gz ZLGKCBNJLOACIS-KBMXLJTQSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000348302124 136064710 /nfs/dbraw/zinc/06/47/10/136064710.db2.gz LUWCCZPJMSFBLE-HZSPNIEDSA-N 2 2 234.387 2.718 20 0 BFADLP CCC[C@@H](Cc1ccccc1)[NH2+]CC[NH+](C)C ZINC000348413018 136077290 /nfs/dbraw/zinc/07/72/90/136077290.db2.gz OTRMMKGKPROAQA-HNNXBMFYSA-N 2 2 234.387 2.549 20 0 BFADLP [NH3+]CC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000335565708 136107497 /nfs/dbraw/zinc/10/74/97/136107497.db2.gz QTVFWFWHJWRGKG-LLVKDONJSA-N 2 2 245.153 2.529 20 0 BFADLP CC(C)C1CCC([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000054556233 322856637 /nfs/dbraw/zinc/85/66/37/322856637.db2.gz ROCUFWHUCDWPSL-HSBZDZAISA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]([NH3+])C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000081143910 322860787 /nfs/dbraw/zinc/86/07/87/322860787.db2.gz QPLSLFRNODDSFE-CYBMUJFWSA-N 2 2 240.350 2.713 20 0 BFADLP CC[C@H]1CC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000309937020 397872502 /nfs/dbraw/zinc/87/25/02/397872502.db2.gz AGQGIPVMTPPFTN-JSGCOSHPSA-N 2 2 218.344 2.711 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC000449554824 397954981 /nfs/dbraw/zinc/95/49/81/397954981.db2.gz DRDHLDXJDRCCLN-AVGNSLFASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)[NH+](C)C ZINC000449555867 397956080 /nfs/dbraw/zinc/95/60/80/397956080.db2.gz JVBXZVLOEQADJD-BPUTZDHNSA-N 2 2 246.398 2.862 20 0 BFADLP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000647884339 397924358 /nfs/dbraw/zinc/92/43/58/397924358.db2.gz DOULXGJIZBQJIU-OCCSQVGLSA-N 2 2 248.370 2.569 20 0 BFADLP COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H](C)[NH3+] ZINC000647884339 397924360 /nfs/dbraw/zinc/92/43/60/397924360.db2.gz DOULXGJIZBQJIU-OCCSQVGLSA-N 2 2 248.370 2.569 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000355905376 397925849 /nfs/dbraw/zinc/92/58/49/397925849.db2.gz LGUKPAAQNPJSEQ-ZFWWWQNUSA-N 2 2 248.370 2.969 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000355905376 397925852 /nfs/dbraw/zinc/92/58/52/397925852.db2.gz LGUKPAAQNPJSEQ-ZFWWWQNUSA-N 2 2 248.370 2.969 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000355905374 397925880 /nfs/dbraw/zinc/92/58/80/397925880.db2.gz LGUKPAAQNPJSEQ-HIFRSBDPSA-N 2 2 248.370 2.969 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000355905374 397925884 /nfs/dbraw/zinc/92/58/84/397925884.db2.gz LGUKPAAQNPJSEQ-HIFRSBDPSA-N 2 2 248.370 2.969 20 0 BFADLP CCC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000271731675 397972101 /nfs/dbraw/zinc/97/21/01/397972101.db2.gz NHIKSWWPGDEACY-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC3(C)C)n2c1 ZINC000290036738 398087229 /nfs/dbraw/zinc/08/72/29/398087229.db2.gz FNTMWBIFNHRTAB-CYBMUJFWSA-N 2 2 243.354 2.921 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000648450062 398052203 /nfs/dbraw/zinc/05/22/03/398052203.db2.gz QDSITXGLJPYGAI-HUUCEWRRSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000648450062 398052210 /nfs/dbraw/zinc/05/22/10/398052210.db2.gz QDSITXGLJPYGAI-HUUCEWRRSA-N 2 2 248.414 2.783 20 0 BFADLP CC(C)c1ccc(CC[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000057956114 398105545 /nfs/dbraw/zinc/10/55/45/398105545.db2.gz PILLJUSWQZHAQM-MRXNPFEDSA-N 2 2 246.398 2.776 20 0 BFADLP CC(C)c1ccc(CC[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000057956114 398105549 /nfs/dbraw/zinc/10/55/49/398105549.db2.gz PILLJUSWQZHAQM-MRXNPFEDSA-N 2 2 246.398 2.776 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+]CC1([NH+](C)C)CC1 ZINC000397918115 398124607 /nfs/dbraw/zinc/12/46/07/398124607.db2.gz JKTSNJWZOQERGT-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[NH2+]C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000075825519 167111818 /nfs/dbraw/zinc/11/18/18/167111818.db2.gz JYBRCIWYONFQCO-LBPRGKRZSA-N 2 2 238.400 2.883 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000383070874 487582757 /nfs/dbraw/zinc/58/27/57/487582757.db2.gz PWFBIFONHIMCNR-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000383070874 487582762 /nfs/dbraw/zinc/58/27/62/487582762.db2.gz PWFBIFONHIMCNR-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cscc1Cl ZINC000393830066 487587509 /nfs/dbraw/zinc/58/75/09/487587509.db2.gz VEDZDAOMUOIZFE-SCZZXKLOSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cscc1Cl ZINC000393830066 487587512 /nfs/dbraw/zinc/58/75/12/487587512.db2.gz VEDZDAOMUOIZFE-SCZZXKLOSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@](C[NH3+])([NH2+]Cc1ccsc1Cl)C1CC1 ZINC000662247661 409543500 /nfs/dbraw/zinc/54/35/00/409543500.db2.gz IJSGZGFHUFHXCW-NSHDSACASA-N 2 2 244.791 2.619 20 0 BFADLP CCc1cc[nH+]cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651979299 410111847 /nfs/dbraw/zinc/11/18/47/410111847.db2.gz IIQKYWOJNHHATM-KGLIPLIRSA-N 2 2 245.370 2.683 20 0 BFADLP CCc1cc[nH+]cc1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651979299 410111849 /nfs/dbraw/zinc/11/18/49/410111849.db2.gz IIQKYWOJNHHATM-KGLIPLIRSA-N 2 2 245.370 2.683 20 0 BFADLP CC[C@H](C)C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262489 410280292 /nfs/dbraw/zinc/28/02/92/410280292.db2.gz ADJJNXMNVDJOKM-LBPRGKRZSA-N 2 2 245.370 2.821 20 0 BFADLP Cn1c[nH+]cc1C[N@@H+]1CCCC2(CCCC2)CC1 ZINC000661230238 410377992 /nfs/dbraw/zinc/37/79/92/410377992.db2.gz XWXWYYWPPKYYCU-UHFFFAOYSA-N 2 2 247.386 2.966 20 0 BFADLP Cn1c[nH+]cc1C[N@H+]1CCCC2(CCCC2)CC1 ZINC000661230238 410377996 /nfs/dbraw/zinc/37/79/96/410377996.db2.gz XWXWYYWPPKYYCU-UHFFFAOYSA-N 2 2 247.386 2.966 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000328148166 487617009 /nfs/dbraw/zinc/61/70/09/487617009.db2.gz CTBTXWHRVCUWNR-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000328148166 487617018 /nfs/dbraw/zinc/61/70/18/487617018.db2.gz CTBTXWHRVCUWNR-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@H]2C2CCC2)n1C ZINC000668278719 487617692 /nfs/dbraw/zinc/61/76/92/487617692.db2.gz LHTOGORYCLYTLT-HNNXBMFYSA-N 2 2 247.386 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@H]2C2CCC2)n1C ZINC000668278719 487617697 /nfs/dbraw/zinc/61/76/97/487617697.db2.gz LHTOGORYCLYTLT-HNNXBMFYSA-N 2 2 247.386 2.883 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000665296239 410808581 /nfs/dbraw/zinc/80/85/81/410808581.db2.gz PDWYIDDIRFFLKH-RKDXNWHRSA-N 2 2 244.741 2.738 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000665296730 410813901 /nfs/dbraw/zinc/81/39/01/410813901.db2.gz XDZAYXPMIHHHAL-RNCFNFMXSA-N 2 2 238.762 2.525 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000665297420 410814516 /nfs/dbraw/zinc/81/45/16/410814516.db2.gz FQOGXXRSGAAPIZ-HTQZYQBOSA-N 2 2 232.780 2.660 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000042222632 166905551 /nfs/dbraw/zinc/90/55/51/166905551.db2.gz HXYXXARPOFUGEM-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000651225508 410871643 /nfs/dbraw/zinc/87/16/43/410871643.db2.gz DYNKEIDCUBVZKP-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000651225508 410871646 /nfs/dbraw/zinc/87/16/46/410871646.db2.gz DYNKEIDCUBVZKP-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000053650026 167007959 /nfs/dbraw/zinc/00/79/59/167007959.db2.gz LPYHXOAMPJJYPG-MRXNPFEDSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000053650026 167007961 /nfs/dbraw/zinc/00/79/61/167007961.db2.gz LPYHXOAMPJJYPG-MRXNPFEDSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000309861907 167012100 /nfs/dbraw/zinc/01/21/00/167012100.db2.gz DMFYSXHZOFNOPR-GOEBONIOSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309861907 167012104 /nfs/dbraw/zinc/01/21/04/167012104.db2.gz DMFYSXHZOFNOPR-GOEBONIOSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000309861909 167014835 /nfs/dbraw/zinc/01/48/35/167014835.db2.gz DMFYSXHZOFNOPR-HOCLYGCPSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000309861909 167014836 /nfs/dbraw/zinc/01/48/36/167014836.db2.gz DMFYSXHZOFNOPR-HOCLYGCPSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000177116896 167095904 /nfs/dbraw/zinc/09/59/04/167095904.db2.gz DVRKVSTVISEUBQ-CYBMUJFWSA-N 2 2 247.386 2.605 20 0 BFADLP CC(C)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000020096506 167115504 /nfs/dbraw/zinc/11/55/04/167115504.db2.gz XIFLABAIXFZXCF-OAHLLOKOSA-N 2 2 232.371 2.822 20 0 BFADLP CC(C)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000126327073 167130729 /nfs/dbraw/zinc/13/07/29/167130729.db2.gz RQNISRASKPMNPS-ZDUSSCGKSA-N 2 2 220.360 2.505 20 0 BFADLP CC(C)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000126327073 167130732 /nfs/dbraw/zinc/13/07/32/167130732.db2.gz RQNISRASKPMNPS-ZDUSSCGKSA-N 2 2 220.360 2.505 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000336689983 167381338 /nfs/dbraw/zinc/38/13/38/167381338.db2.gz WEZGQYMVLXNRQC-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336689983 167381341 /nfs/dbraw/zinc/38/13/41/167381341.db2.gz WEZGQYMVLXNRQC-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000309681332 167381696 /nfs/dbraw/zinc/38/16/96/167381696.db2.gz NHSXXXFLDDWSDN-OCCSQVGLSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000309681332 167381699 /nfs/dbraw/zinc/38/16/99/167381699.db2.gz NHSXXXFLDDWSDN-OCCSQVGLSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000128849995 167383731 /nfs/dbraw/zinc/38/37/31/167383731.db2.gz LYUPSSPBLFABKU-ZBFHGGJFSA-N 2 2 248.414 2.793 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCC1 ZINC000659992189 411159875 /nfs/dbraw/zinc/15/98/75/411159875.db2.gz BKQGTGKMRTZQFA-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCC1 ZINC000659992189 411159877 /nfs/dbraw/zinc/15/98/77/411159877.db2.gz BKQGTGKMRTZQFA-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCC1 ZINC000659992189 411159881 /nfs/dbraw/zinc/15/98/81/411159881.db2.gz BKQGTGKMRTZQFA-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCC1 ZINC000659992189 411159885 /nfs/dbraw/zinc/15/98/85/411159885.db2.gz BKQGTGKMRTZQFA-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)(C)C(F)F ZINC000657899696 411160306 /nfs/dbraw/zinc/16/03/06/411160306.db2.gz KVSYYWDOLVCOGX-WDEREUQCSA-N 2 2 248.361 2.598 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)(C)C(F)F ZINC000657899696 411160308 /nfs/dbraw/zinc/16/03/08/411160308.db2.gz KVSYYWDOLVCOGX-WDEREUQCSA-N 2 2 248.361 2.598 20 0 BFADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccoc1 ZINC000652222258 411175923 /nfs/dbraw/zinc/17/59/23/411175923.db2.gz ISXOSGACSFKLHB-ZDUSSCGKSA-N 2 2 238.375 2.908 20 0 BFADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccoc1 ZINC000652222258 411175925 /nfs/dbraw/zinc/17/59/25/411175925.db2.gz ISXOSGACSFKLHB-ZDUSSCGKSA-N 2 2 238.375 2.908 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658096058 411243702 /nfs/dbraw/zinc/24/37/02/411243702.db2.gz NIYBJRKNWGSTKO-IGQOVBAYSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658096058 411243703 /nfs/dbraw/zinc/24/37/03/411243703.db2.gz NIYBJRKNWGSTKO-IGQOVBAYSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1C[C@@H]1C ZINC000658097760 411244815 /nfs/dbraw/zinc/24/48/15/411244815.db2.gz ZRDKCKCLKQVQMH-DGAVXFQQSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1C[C@@H]1C ZINC000658097760 411244817 /nfs/dbraw/zinc/24/48/17/411244817.db2.gz ZRDKCKCLKQVQMH-DGAVXFQQSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCC(F)(F)CC1 ZINC000653871335 411202788 /nfs/dbraw/zinc/20/27/88/411202788.db2.gz CXTQSEPEVCDBRT-SECBINFHSA-N 2 2 243.301 2.713 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000656225155 411215004 /nfs/dbraw/zinc/21/50/04/411215004.db2.gz DUTUGEKJPDVNPZ-UONOGXRCSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000656225155 411215007 /nfs/dbraw/zinc/21/50/07/411215007.db2.gz DUTUGEKJPDVNPZ-UONOGXRCSA-N 2 2 245.370 2.819 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccoc1 ZINC000658053925 411221484 /nfs/dbraw/zinc/22/14/84/411221484.db2.gz BYVXNWMSUZAZLY-WCQYABFASA-N 2 2 236.359 2.803 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccoc1 ZINC000658053925 411221488 /nfs/dbraw/zinc/22/14/88/411221488.db2.gz BYVXNWMSUZAZLY-WCQYABFASA-N 2 2 236.359 2.803 20 0 BFADLP CCC(CC)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658056894 411222535 /nfs/dbraw/zinc/22/25/35/411222535.db2.gz MMWTUTVEKGJUBW-GFCCVEGCSA-N 2 2 212.381 2.637 20 0 BFADLP CCC(CC)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658056894 411222537 /nfs/dbraw/zinc/22/25/37/411222537.db2.gz MMWTUTVEKGJUBW-GFCCVEGCSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059211 411224734 /nfs/dbraw/zinc/22/47/34/411224734.db2.gz WAUYSSDOMHBTAR-RYUDHWBXSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059211 411224737 /nfs/dbraw/zinc/22/47/37/411224737.db2.gz WAUYSSDOMHBTAR-RYUDHWBXSA-N 2 2 212.381 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000658058131 411225265 /nfs/dbraw/zinc/22/52/65/411225265.db2.gz CXIJSQBEBRIOGS-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000658058131 411225268 /nfs/dbraw/zinc/22/52/68/411225268.db2.gz CXIJSQBEBRIOGS-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCC1 ZINC000656277428 411227410 /nfs/dbraw/zinc/22/74/10/411227410.db2.gz MZUBFZFFJWELRQ-AEGPPILISA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCC1 ZINC000656277428 411227411 /nfs/dbraw/zinc/22/74/11/411227411.db2.gz MZUBFZFFJWELRQ-AEGPPILISA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000658062994 411228962 /nfs/dbraw/zinc/22/89/62/411228962.db2.gz UOICGEJCDRDKPN-REWJHTLYSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000658062994 411228964 /nfs/dbraw/zinc/22/89/64/411228964.db2.gz UOICGEJCDRDKPN-REWJHTLYSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CC(C)(C)C1 ZINC000658064379 411229049 /nfs/dbraw/zinc/22/90/49/411229049.db2.gz ZOPHPOIFBMWHCK-GFCCVEGCSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CC(C)(C)C1 ZINC000658064379 411229054 /nfs/dbraw/zinc/22/90/54/411229054.db2.gz ZOPHPOIFBMWHCK-GFCCVEGCSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC000658064382 411229106 /nfs/dbraw/zinc/22/91/06/411229106.db2.gz ZOPHPOIFBMWHCK-LBPRGKRZSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC000658064382 411229109 /nfs/dbraw/zinc/22/91/09/411229109.db2.gz ZOPHPOIFBMWHCK-LBPRGKRZSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000658089632 411240481 /nfs/dbraw/zinc/24/04/81/411240481.db2.gz AMJWBPSSYXLLRH-ZDUSSCGKSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000658089632 411240484 /nfs/dbraw/zinc/24/04/84/411240484.db2.gz AMJWBPSSYXLLRH-ZDUSSCGKSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CCC1 ZINC000658090412 411240862 /nfs/dbraw/zinc/24/08/62/411240862.db2.gz HGRCTCSIQKWFHH-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CCC1 ZINC000658090412 411240867 /nfs/dbraw/zinc/24/08/67/411240867.db2.gz HGRCTCSIQKWFHH-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP CC/C=C/CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365631447 167844502 /nfs/dbraw/zinc/84/45/02/167844502.db2.gz RAZWZSZBDAJZIZ-NNTXTVRGSA-N 2 2 247.386 2.956 20 0 BFADLP CC/C=C/CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365631447 167844503 /nfs/dbraw/zinc/84/45/03/167844503.db2.gz RAZWZSZBDAJZIZ-NNTXTVRGSA-N 2 2 247.386 2.956 20 0 BFADLP CC(C)CC1([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000658320720 411332519 /nfs/dbraw/zinc/33/25/19/411332519.db2.gz FMAFBLDCAGGACW-STQMWFEESA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)CC1([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000658320720 411332522 /nfs/dbraw/zinc/33/25/22/411332522.db2.gz FMAFBLDCAGGACW-STQMWFEESA-N 2 2 236.403 2.780 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)c2ccncc2)C1 ZINC000658286123 411322103 /nfs/dbraw/zinc/32/21/03/411322103.db2.gz OWKRARNXDOCDOA-LSDHHAIUSA-N 2 2 247.386 2.607 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)c2ccncc2)C1 ZINC000658286123 411322105 /nfs/dbraw/zinc/32/21/05/411322105.db2.gz OWKRARNXDOCDOA-LSDHHAIUSA-N 2 2 247.386 2.607 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000658284415 411322802 /nfs/dbraw/zinc/32/28/02/411322802.db2.gz GCUMVLMUDCGTAF-RRFJBIMHSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000658284415 411322805 /nfs/dbraw/zinc/32/28/05/411322805.db2.gz GCUMVLMUDCGTAF-RRFJBIMHSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C(C)C)C1 ZINC000658285665 411323216 /nfs/dbraw/zinc/32/32/16/411323216.db2.gz MDWBTBCIQSTHQJ-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C(C)C)C1 ZINC000658285665 411323217 /nfs/dbraw/zinc/32/32/17/411323217.db2.gz MDWBTBCIQSTHQJ-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000133136636 167940852 /nfs/dbraw/zinc/94/08/52/167940852.db2.gz SHKYDUFXIURSFZ-UONOGXRCSA-N 2 2 232.371 2.855 20 0 BFADLP CCc1ccc(C)[nH+]c1NCc1c[nH+]cn1CC ZINC000656778698 411357758 /nfs/dbraw/zinc/35/77/58/411357758.db2.gz IJTOLXMMJWJFLF-UHFFFAOYSA-N 2 2 244.342 2.781 20 0 BFADLP CCc1cccc(F)c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656786519 411365915 /nfs/dbraw/zinc/36/59/15/411365915.db2.gz ZYCYEWFIFQRMAP-UHFFFAOYSA-N 2 2 238.350 2.557 20 0 BFADLP CCc1cccc(F)c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656786519 411365917 /nfs/dbraw/zinc/36/59/17/411365917.db2.gz ZYCYEWFIFQRMAP-UHFFFAOYSA-N 2 2 238.350 2.557 20 0 BFADLP CC(C)c1ccc2c(c1)C[N@@H+](CC(C)(C)[NH3+])CC2 ZINC000656787369 411366638 /nfs/dbraw/zinc/36/66/38/411366638.db2.gz JEWNPQIWEYHEEI-UHFFFAOYSA-N 2 2 246.398 2.905 20 0 BFADLP CC(C)c1ccc2c(c1)C[N@H+](CC(C)(C)[NH3+])CC2 ZINC000656787369 411366640 /nfs/dbraw/zinc/36/66/40/411366640.db2.gz JEWNPQIWEYHEEI-UHFFFAOYSA-N 2 2 246.398 2.905 20 0 BFADLP CC(C)CC1([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000658321797 411333794 /nfs/dbraw/zinc/33/37/94/411333794.db2.gz WTVGANAQBYAURY-OCCSQVGLSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)CC1([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000658321797 411333798 /nfs/dbraw/zinc/33/37/98/411333798.db2.gz WTVGANAQBYAURY-OCCSQVGLSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](C[N@@H+]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000660583638 411337645 /nfs/dbraw/zinc/33/76/45/411337645.db2.gz LJNZNQMKLFEWGG-ZDUSSCGKSA-N 2 2 247.386 2.915 20 0 BFADLP C[C@@H](C[N@H+]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000660583638 411337646 /nfs/dbraw/zinc/33/76/46/411337646.db2.gz LJNZNQMKLFEWGG-ZDUSSCGKSA-N 2 2 247.386 2.915 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC(C)(C)CC2)c1 ZINC000313264758 411372253 /nfs/dbraw/zinc/37/22/53/411372253.db2.gz OCAOEOLQBHWZKK-CYBMUJFWSA-N 2 2 249.402 2.911 20 0 BFADLP CC1(C[NH2+]C[C@@H]2[NH2+]CCc3ccccc32)CCC1 ZINC000232879253 168042029 /nfs/dbraw/zinc/04/20/29/168042029.db2.gz BUDYXUSEBIFOGY-HNNXBMFYSA-N 2 2 244.382 2.653 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291604947 168101871 /nfs/dbraw/zinc/10/18/71/168101871.db2.gz QQZYBEPOFPLQNZ-HIFRSBDPSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000291604947 168101874 /nfs/dbraw/zinc/10/18/74/168101874.db2.gz QQZYBEPOFPLQNZ-HIFRSBDPSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)C[NH+](C)C ZINC000309848851 168103777 /nfs/dbraw/zinc/10/37/77/168103777.db2.gz HZMRSMZFQPYOAI-MELADBBJSA-N 2 2 224.392 2.519 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H](C)[NH+](C)C ZINC000336746572 168104803 /nfs/dbraw/zinc/10/48/03/168104803.db2.gz RMJKUDRURPLWMU-IHRRRGAJSA-N 2 2 224.392 2.519 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000358221973 168112752 /nfs/dbraw/zinc/11/27/52/168112752.db2.gz GRFJXRSGSGCEKX-CQSZACIVSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000358221973 168112756 /nfs/dbraw/zinc/11/27/56/168112756.db2.gz GRFJXRSGSGCEKX-CQSZACIVSA-N 2 2 236.403 2.807 20 0 BFADLP Cc1cccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)c1 ZINC000358165060 168113520 /nfs/dbraw/zinc/11/35/20/168113520.db2.gz NYYACKXIMINXJK-UHFFFAOYSA-N 2 2 244.382 2.737 20 0 BFADLP Cc1cccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)c1 ZINC000358165060 168113521 /nfs/dbraw/zinc/11/35/21/168113521.db2.gz NYYACKXIMINXJK-UHFFFAOYSA-N 2 2 244.382 2.737 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291662754 168124122 /nfs/dbraw/zinc/12/41/22/168124122.db2.gz VMRCJMLFUDLQBQ-TZMCWYRMSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291662754 168124125 /nfs/dbraw/zinc/12/41/25/168124125.db2.gz VMRCJMLFUDLQBQ-TZMCWYRMSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000235666290 168125830 /nfs/dbraw/zinc/12/58/30/168125830.db2.gz SMWYZZUNNDSPER-HIFRSBDPSA-N 2 2 247.386 2.855 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000300691321 168129245 /nfs/dbraw/zinc/12/92/45/168129245.db2.gz SQCDIDITOWGHDX-NWANDNLSSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000300691321 168129246 /nfs/dbraw/zinc/12/92/46/168129246.db2.gz SQCDIDITOWGHDX-NWANDNLSSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291662714 168130022 /nfs/dbraw/zinc/13/00/22/168130022.db2.gz VMRCJMLFUDLQBQ-GXTWGEPZSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291662714 168130025 /nfs/dbraw/zinc/13/00/25/168130025.db2.gz VMRCJMLFUDLQBQ-GXTWGEPZSA-N 2 2 245.370 2.691 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCC(C)CC1 ZINC000053343134 168163355 /nfs/dbraw/zinc/16/33/55/168163355.db2.gz ZTNAOBCYRAZQMO-ROKHWSDSSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCC(C)CC1 ZINC000053343134 168163356 /nfs/dbraw/zinc/16/33/56/168163356.db2.gz ZTNAOBCYRAZQMO-ROKHWSDSSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000045650310 168165616 /nfs/dbraw/zinc/16/56/16/168165616.db2.gz UIYWDDIKSKLLOD-RUXDESIVSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000045650310 168165617 /nfs/dbraw/zinc/16/56/17/168165617.db2.gz UIYWDDIKSKLLOD-RUXDESIVSA-N 2 2 224.392 2.637 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000040771123 168180695 /nfs/dbraw/zinc/18/06/95/168180695.db2.gz KXJGYSCLLRPZFI-LSDHHAIUSA-N 2 2 238.419 2.887 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337375623 168180783 /nfs/dbraw/zinc/18/07/83/168180783.db2.gz AFFMSDVXCYKLRJ-CQSZACIVSA-N 2 2 236.403 2.641 20 0 BFADLP CC1CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000183470960 168184461 /nfs/dbraw/zinc/18/44/61/168184461.db2.gz LQGROAQYBBPTNV-UHFFFAOYSA-N 2 2 229.327 2.566 20 0 BFADLP CCC(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000128508148 168298934 /nfs/dbraw/zinc/29/89/34/168298934.db2.gz SURUVHIEDZHRJN-UHFFFAOYSA-N 2 2 217.316 2.613 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1C ZINC000657285570 411444824 /nfs/dbraw/zinc/44/48/24/411444824.db2.gz JKWROFPYLAVVEH-YRGRVCCFSA-N 2 2 247.386 2.744 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657289370 411450585 /nfs/dbraw/zinc/45/05/85/411450585.db2.gz GGXZWROHAMMYBQ-GFCCVEGCSA-N 2 2 241.338 2.680 20 0 BFADLP C(C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1)C1CCC1 ZINC000659871697 411483817 /nfs/dbraw/zinc/48/38/17/411483817.db2.gz WJNANNSEKJQANR-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP C(C[N@H+]1CCC[C@H]1C[NH+]1CCCC1)C1CCC1 ZINC000659871697 411483819 /nfs/dbraw/zinc/48/38/19/411483819.db2.gz WJNANNSEKJQANR-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP CC(C)(C)CCC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657371504 411484399 /nfs/dbraw/zinc/48/43/99/411484399.db2.gz WTZZDFRKPWGOAV-UHFFFAOYSA-N 2 2 235.375 2.745 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657372460 411484521 /nfs/dbraw/zinc/48/45/21/411484521.db2.gz FGQFELHDLNETHF-CHWSQXEVSA-N 2 2 247.386 2.888 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657372461 411484997 /nfs/dbraw/zinc/48/49/97/411484997.db2.gz FGQFELHDLNETHF-OLZOCXBDSA-N 2 2 247.386 2.888 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)n1C ZINC000657372812 411485993 /nfs/dbraw/zinc/48/59/93/411485993.db2.gz XWBHGUCYBVSSGF-PJXYFTJBSA-N 2 2 235.375 2.643 20 0 BFADLP CC(C)CC(C)(C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657390746 411491605 /nfs/dbraw/zinc/49/16/05/411491605.db2.gz DTPLBZSDIHWEMP-UHFFFAOYSA-N 2 2 249.402 2.991 20 0 BFADLP c1cc(O[C@@H]2CC[N@@H+](CCC3CCC3)C2)cc[nH+]1 ZINC000660435623 411502868 /nfs/dbraw/zinc/50/28/68/411502868.db2.gz NLXVDHXZHGSECR-OAHLLOKOSA-N 2 2 246.354 2.725 20 0 BFADLP c1cc(O[C@@H]2CC[N@H+](CCC3CCC3)C2)cc[nH+]1 ZINC000660435623 411502871 /nfs/dbraw/zinc/50/28/71/411502871.db2.gz NLXVDHXZHGSECR-OAHLLOKOSA-N 2 2 246.354 2.725 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]CC1CCCCCC1)CCC2 ZINC000657481862 411527089 /nfs/dbraw/zinc/52/70/89/411527089.db2.gz YYHAKPZEDKKPAC-UHFFFAOYSA-N 2 2 247.386 2.889 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC(C)C)CC2)C1 ZINC000358387387 170037447 /nfs/dbraw/zinc/03/74/47/170037447.db2.gz BMEVPAJXOLKKRX-UONOGXRCSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC(C)C)CC2)C1 ZINC000358387387 170037449 /nfs/dbraw/zinc/03/74/49/170037449.db2.gz BMEVPAJXOLKKRX-UONOGXRCSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000657524714 411542021 /nfs/dbraw/zinc/54/20/21/411542021.db2.gz QGAXBVLAGKINBG-CQSZACIVSA-N 2 2 232.371 2.649 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000657524714 411542022 /nfs/dbraw/zinc/54/20/22/411542022.db2.gz QGAXBVLAGKINBG-CQSZACIVSA-N 2 2 232.371 2.649 20 0 BFADLP CCC(CC)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657524774 411542238 /nfs/dbraw/zinc/54/22/38/411542238.db2.gz RESWDINGVSIVIS-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657524774 411542239 /nfs/dbraw/zinc/54/22/39/411542239.db2.gz RESWDINGVSIVIS-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657525505 411543424 /nfs/dbraw/zinc/54/34/24/411543424.db2.gz YAZRAJQZKXMYFT-HNNXBMFYSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1cccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657525505 411543426 /nfs/dbraw/zinc/54/34/26/411543426.db2.gz YAZRAJQZKXMYFT-HNNXBMFYSA-N 2 2 246.398 2.957 20 0 BFADLP c1[nH]cc(C2CC[NH+](CCC3CCC3)CC2)[nH+]1 ZINC000660094322 411536478 /nfs/dbraw/zinc/53/64/78/411536478.db2.gz JLYSRZADNDRSKI-UHFFFAOYSA-N 2 2 233.359 2.779 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849127 411536850 /nfs/dbraw/zinc/53/68/50/411536850.db2.gz NFMPPNQMYMVDKQ-MELADBBJSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849127 411536851 /nfs/dbraw/zinc/53/68/51/411536851.db2.gz NFMPPNQMYMVDKQ-MELADBBJSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849126 411536877 /nfs/dbraw/zinc/53/68/77/411536877.db2.gz NFMPPNQMYMVDKQ-IHRRRGAJSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849126 411536878 /nfs/dbraw/zinc/53/68/78/411536878.db2.gz NFMPPNQMYMVDKQ-IHRRRGAJSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848903 411536928 /nfs/dbraw/zinc/53/69/28/411536928.db2.gz LGXFJQJCDCLUDU-MJBXVCDLSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848903 411536930 /nfs/dbraw/zinc/53/69/30/411536930.db2.gz LGXFJQJCDCLUDU-MJBXVCDLSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657501393 411537883 /nfs/dbraw/zinc/53/78/83/411537883.db2.gz SURPQSJQGINROE-WCQYABFASA-N 2 2 247.386 2.744 20 0 BFADLP C[C@@H]1CC[N@H+](CC2CC=CC2)C[C@@H]1n1cc[nH+]c1 ZINC000660110409 411538259 /nfs/dbraw/zinc/53/82/59/411538259.db2.gz AXKZKTCVLQHGGV-HIFRSBDPSA-N 2 2 245.370 2.732 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2CC=CC2)C[C@@H]1n1cc[nH+]c1 ZINC000660110409 411538263 /nfs/dbraw/zinc/53/82/63/411538263.db2.gz AXKZKTCVLQHGGV-HIFRSBDPSA-N 2 2 245.370 2.732 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1csc2ccccc12 ZINC000161305180 170115335 /nfs/dbraw/zinc/11/53/35/170115335.db2.gz ABVLNXQCSQSRJT-UHFFFAOYSA-N 2 2 234.368 2.600 20 0 BFADLP CCc1ccc(C)[nH+]c1NCc1[nH]cc(C)[nH+]1 ZINC000657578481 411554026 /nfs/dbraw/zinc/55/40/26/411554026.db2.gz LHOWQLPTYQTPHK-UHFFFAOYSA-N 2 2 230.315 2.596 20 0 BFADLP CC[C@H](C)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000657587205 411558018 /nfs/dbraw/zinc/55/80/18/411558018.db2.gz SFMHBNKPTDEFAF-AVGNSLFASA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H](C)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000657587205 411558019 /nfs/dbraw/zinc/55/80/19/411558019.db2.gz SFMHBNKPTDEFAF-AVGNSLFASA-N 2 2 224.392 2.637 20 0 BFADLP Cc1c[nH]c(CNc2[nH+]ccc(C)c2C2CC2)[nH+]1 ZINC000657613331 411565716 /nfs/dbraw/zinc/56/57/16/411565716.db2.gz YRAAAHMRMSRWBW-UHFFFAOYSA-N 2 2 242.326 2.911 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)C1CC1 ZINC000657679323 411579797 /nfs/dbraw/zinc/57/97/97/411579797.db2.gz CRVSHZNDNMYCPS-CQSZACIVSA-N 2 2 243.354 2.921 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CC(C)(C)C ZINC000657693508 411580200 /nfs/dbraw/zinc/58/02/00/411580200.db2.gz ONBGPZGCXAFSAL-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CCC1 ZINC000660549259 411599089 /nfs/dbraw/zinc/59/90/89/411599089.db2.gz KTQSPBMPELBYSI-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCC1CCC1 ZINC000660549259 411599090 /nfs/dbraw/zinc/59/90/90/411599090.db2.gz KTQSPBMPELBYSI-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CCCC12CC2 ZINC000657826985 411608508 /nfs/dbraw/zinc/60/85/08/411608508.db2.gz KEJDJPYRSNZCRF-AWEZNQCLSA-N 2 2 236.403 2.785 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657866297 411613485 /nfs/dbraw/zinc/61/34/85/411613485.db2.gz ZHZCDILWFGLBIT-RDBSUJKOSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657866297 411613487 /nfs/dbraw/zinc/61/34/87/411613487.db2.gz ZHZCDILWFGLBIT-RDBSUJKOSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C(C)(C)C(F)F ZINC000657871966 411613935 /nfs/dbraw/zinc/61/39/35/411613935.db2.gz LKBDZRZOHUJILW-VHSXEESVSA-N 2 2 248.361 2.739 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C(C)(C)C(F)F ZINC000657871966 411613937 /nfs/dbraw/zinc/61/39/37/411613937.db2.gz LKBDZRZOHUJILW-VHSXEESVSA-N 2 2 248.361 2.739 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCSCC1 ZINC000657876354 411615296 /nfs/dbraw/zinc/61/52/96/411615296.db2.gz AQOWZUGZVHUHJF-ZDUSSCGKSA-N 2 2 244.448 2.594 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCSCC1 ZINC000657876354 411615299 /nfs/dbraw/zinc/61/52/99/411615299.db2.gz AQOWZUGZVHUHJF-ZDUSSCGKSA-N 2 2 244.448 2.594 20 0 BFADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000663502916 411686270 /nfs/dbraw/zinc/68/62/70/411686270.db2.gz IXGVEVDOUZBSFF-CJNGLKHVSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1[nH+]ccn1CC[NH+]1CCC(C2CCC2)CC1 ZINC000661373461 411758781 /nfs/dbraw/zinc/75/87/81/411758781.db2.gz DCNDQJDWNGBIIF-UHFFFAOYSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)o1 ZINC000132088586 411768825 /nfs/dbraw/zinc/76/88/25/411768825.db2.gz XNBJULPCMXRQIS-CABCVRRESA-N 2 2 242.322 2.822 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1COc1cc[nH+]cc1 ZINC000664016802 411813921 /nfs/dbraw/zinc/81/39/21/411813921.db2.gz RNNCNFZXQUXIGN-CYBMUJFWSA-N 2 2 234.343 2.723 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1COc1cc[nH+]cc1 ZINC000664016802 411813924 /nfs/dbraw/zinc/81/39/24/411813924.db2.gz RNNCNFZXQUXIGN-CYBMUJFWSA-N 2 2 234.343 2.723 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC000662233186 412033205 /nfs/dbraw/zinc/03/32/05/412033205.db2.gz BJHASEDMQSACMA-JSGCOSHPSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC000662233186 412033209 /nfs/dbraw/zinc/03/32/09/412033209.db2.gz BJHASEDMQSACMA-JSGCOSHPSA-N 2 2 224.392 2.768 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cccc(C(C)C)c2)C1 ZINC000662247730 412044145 /nfs/dbraw/zinc/04/41/45/412044145.db2.gz ZIRBRVLLGWWNTI-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cccc(C(C)C)c2)C1 ZINC000662247730 412044148 /nfs/dbraw/zinc/04/41/48/412044148.db2.gz ZIRBRVLLGWWNTI-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP C1=CCC(C[N@@H+]2CC[NH2+]CC23CCCCC3)C1 ZINC000662264327 412054554 /nfs/dbraw/zinc/05/45/54/412054554.db2.gz IRFMHMSOHUAKNW-UHFFFAOYSA-N 2 2 234.387 2.561 20 0 BFADLP C1=CCC(C[N@H+]2CC[NH2+]CC23CCCCC3)C1 ZINC000662264327 412054558 /nfs/dbraw/zinc/05/45/58/412054558.db2.gz IRFMHMSOHUAKNW-UHFFFAOYSA-N 2 2 234.387 2.561 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[N@H+](C)CC ZINC000309723848 171050233 /nfs/dbraw/zinc/05/02/33/171050233.db2.gz XBVZZGUAUTYKCP-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[N@@H+](C)CC ZINC000309723848 171050234 /nfs/dbraw/zinc/05/02/34/171050234.db2.gz XBVZZGUAUTYKCP-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[N@H+](C)CC ZINC000310000554 171126280 /nfs/dbraw/zinc/12/62/80/171126280.db2.gz DSCKSYGMLCEMDN-MCIONIFRSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[N@@H+](C)CC ZINC000310000554 171126283 /nfs/dbraw/zinc/12/62/83/171126283.db2.gz DSCKSYGMLCEMDN-MCIONIFRSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000662277844 412069810 /nfs/dbraw/zinc/06/98/10/412069810.db2.gz SFWNDDSLURMVIS-IUODEOHRSA-N 2 2 232.371 2.589 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000662277844 412069815 /nfs/dbraw/zinc/06/98/15/412069815.db2.gz SFWNDDSLURMVIS-IUODEOHRSA-N 2 2 232.371 2.589 20 0 BFADLP CC[C@H](C)C[NH2+]CCCCNc1cccc[nH+]1 ZINC000093066989 171284908 /nfs/dbraw/zinc/28/49/08/171284908.db2.gz LWXXMOGAOJXDAP-ZDUSSCGKSA-N 2 2 235.375 2.909 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000336744075 171298144 /nfs/dbraw/zinc/29/81/44/171298144.db2.gz UMJBTIGALLPNKW-XUXIUFHCSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336744075 171298145 /nfs/dbraw/zinc/29/81/45/171298145.db2.gz UMJBTIGALLPNKW-XUXIUFHCSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662292757 412081396 /nfs/dbraw/zinc/08/13/96/412081396.db2.gz LBCWYSKVAOBLEE-SNVBAGLBSA-N 2 2 224.323 2.556 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292757 412081398 /nfs/dbraw/zinc/08/13/98/412081398.db2.gz LBCWYSKVAOBLEE-SNVBAGLBSA-N 2 2 224.323 2.556 20 0 BFADLP CCCCC[C@@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000662318610 412098965 /nfs/dbraw/zinc/09/89/65/412098965.db2.gz CLFIYHFFBINSDG-CHWSQXEVSA-N 2 2 212.381 2.768 20 0 BFADLP CCCCC[C@@H]1CCCC[N@H+]1C[C@@H](C)[NH3+] ZINC000662318610 412098971 /nfs/dbraw/zinc/09/89/71/412098971.db2.gz CLFIYHFFBINSDG-CHWSQXEVSA-N 2 2 212.381 2.768 20 0 BFADLP Cc1ccc2oc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2c1 ZINC000665261442 412203905 /nfs/dbraw/zinc/20/39/05/412203905.db2.gz CPEBRZVFCNVGLG-KBPBESRZSA-N 2 2 244.338 2.711 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000665294208 412238959 /nfs/dbraw/zinc/23/89/59/412238959.db2.gz KHPCANBABZLKBJ-GXFFZTMASA-N 2 2 240.778 2.989 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000665294921 412241071 /nfs/dbraw/zinc/24/10/71/412241071.db2.gz YRXXLZMWYSYUEW-NXEZZACHSA-N 2 2 226.751 2.599 20 0 BFADLP CCc1ccc([C@@H](CC)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665296571 412242204 /nfs/dbraw/zinc/24/22/04/412242204.db2.gz UUQXRFCNIUZZHO-SWLSCSKDSA-N 2 2 234.387 2.898 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000665298436 412246726 /nfs/dbraw/zinc/24/67/26/412246726.db2.gz VZDFXIWAOOHCAU-QMTHXVAHSA-N 2 2 236.359 2.627 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc(C)c1 ZINC000665298248 412247053 /nfs/dbraw/zinc/24/70/53/412247053.db2.gz UQHMNPPSQPOLMV-JSGCOSHPSA-N 2 2 220.360 2.644 20 0 BFADLP CCc1[nH+]ccn1CC[N@H+](C)Cc1ccccc1 ZINC000278693772 172026461 /nfs/dbraw/zinc/02/64/61/172026461.db2.gz ZOVUHLNJYMKTLM-UHFFFAOYSA-N 2 2 243.354 2.578 20 0 BFADLP CCc1[nH+]ccn1CC[N@@H+](C)Cc1ccccc1 ZINC000278693772 172026464 /nfs/dbraw/zinc/02/64/64/172026464.db2.gz ZOVUHLNJYMKTLM-UHFFFAOYSA-N 2 2 243.354 2.578 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556887047 322930225 /nfs/dbraw/zinc/93/02/25/322930225.db2.gz PMEHPQKPEGMACM-KBPBESRZSA-N 2 2 247.386 2.744 20 0 BFADLP CCc1[nH+]ccn1Cc1ccc2[nH]c(C)[nH+]c2c1 ZINC000358850749 172027123 /nfs/dbraw/zinc/02/71/23/172027123.db2.gz BQTCNFCSNXYRRX-UHFFFAOYSA-N 2 2 240.310 2.679 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C1CCCCCC1 ZINC000020125686 172395142 /nfs/dbraw/zinc/39/51/42/172395142.db2.gz HUJWDEUIFZIMSP-UHFFFAOYSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000328165500 487624791 /nfs/dbraw/zinc/62/47/91/487624791.db2.gz ITHQBSIPHSQXJL-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000328165500 487624794 /nfs/dbraw/zinc/62/47/94/487624794.db2.gz ITHQBSIPHSQXJL-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000328168439 487625534 /nfs/dbraw/zinc/62/55/34/487625534.db2.gz JNPUBRPBFGTJFF-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]CC2CCCCC2)C1 ZINC000328168439 487625537 /nfs/dbraw/zinc/62/55/37/487625537.db2.gz JNPUBRPBFGTJFF-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091308016 173034754 /nfs/dbraw/zinc/03/47/54/173034754.db2.gz HAIUJEVZCBXZJI-CVEARBPZSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091308016 173034757 /nfs/dbraw/zinc/03/47/57/173034757.db2.gz HAIUJEVZCBXZJI-CVEARBPZSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000127294521 173056539 /nfs/dbraw/zinc/05/65/39/173056539.db2.gz NJMYWGSAFJBLFS-GPANFISMSA-N 2 2 244.382 2.616 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000127294521 173056540 /nfs/dbraw/zinc/05/65/40/173056540.db2.gz NJMYWGSAFJBLFS-GPANFISMSA-N 2 2 244.382 2.616 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000163681089 173057187 /nfs/dbraw/zinc/05/71/87/173057187.db2.gz DMVZTJPUKRGYFQ-VIFPVBQESA-N 2 2 244.791 2.585 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000163681089 173057190 /nfs/dbraw/zinc/05/71/90/173057190.db2.gz DMVZTJPUKRGYFQ-VIFPVBQESA-N 2 2 244.791 2.585 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C(C)C)cc1 ZINC000042390436 173379897 /nfs/dbraw/zinc/37/98/97/173379897.db2.gz WJNTVPOURDJPFP-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C(C)C)cc1 ZINC000042390436 173379898 /nfs/dbraw/zinc/37/98/98/173379898.db2.gz WJNTVPOURDJPFP-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP C[C@@H](CC[NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000043534216 175675909 /nfs/dbraw/zinc/67/59/09/175675909.db2.gz JHSGOXVAARBBFE-KBPBESRZSA-N 2 2 234.387 2.720 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000095936749 176022096 /nfs/dbraw/zinc/02/20/96/176022096.db2.gz UNNZMQCLCNEIDY-ZFWWWQNUSA-N 2 2 230.355 2.576 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000095936749 176022098 /nfs/dbraw/zinc/02/20/98/176022098.db2.gz UNNZMQCLCNEIDY-ZFWWWQNUSA-N 2 2 230.355 2.576 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000155659460 176023118 /nfs/dbraw/zinc/02/31/18/176023118.db2.gz DLCPMZSALOSVQK-ZIAGYGMSSA-N 2 2 243.354 2.665 20 0 BFADLP C[C@@H](c1ccccn1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000162419629 176026271 /nfs/dbraw/zinc/02/62/71/176026271.db2.gz JUARZGXUIOUYCW-AWEZNQCLSA-N 2 2 247.386 2.560 20 0 BFADLP C[C@@H](c1ccccn1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000162419629 176026272 /nfs/dbraw/zinc/02/62/72/176026272.db2.gz JUARZGXUIOUYCW-AWEZNQCLSA-N 2 2 247.386 2.560 20 0 BFADLP C[C@@H](c1cccs1)[N@H+](C)Cc1c[nH+]cn1C ZINC000177012223 176033109 /nfs/dbraw/zinc/03/31/09/176033109.db2.gz SVPXVLMQXIEXSG-JTQLQIEISA-N 2 2 235.356 2.675 20 0 BFADLP C[C@@H](c1cccs1)[N@@H+](C)Cc1c[nH+]cn1C ZINC000177012223 176033111 /nfs/dbraw/zinc/03/31/11/176033111.db2.gz SVPXVLMQXIEXSG-JTQLQIEISA-N 2 2 235.356 2.675 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000336776827 176070203 /nfs/dbraw/zinc/07/02/03/176070203.db2.gz GUBISLCIIFCYSK-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000336776827 176070206 /nfs/dbraw/zinc/07/02/06/176070206.db2.gz GUBISLCIIFCYSK-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000119054977 176070674 /nfs/dbraw/zinc/07/06/74/176070674.db2.gz QVEVNDDCSWUANO-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000119054977 176070676 /nfs/dbraw/zinc/07/06/76/176070676.db2.gz QVEVNDDCSWUANO-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC1(C)C ZINC000336778739 176070907 /nfs/dbraw/zinc/07/09/07/176070907.db2.gz MEZPDXDPLZHETM-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC1(C)C ZINC000336778739 176070908 /nfs/dbraw/zinc/07/09/08/176070908.db2.gz MEZPDXDPLZHETM-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337411647 176070956 /nfs/dbraw/zinc/07/09/56/176070956.db2.gz WMJOPMOSZSBINR-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337411647 176070958 /nfs/dbraw/zinc/07/09/58/176070958.db2.gz WMJOPMOSZSBINR-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCCCC1 ZINC000053341499 176071629 /nfs/dbraw/zinc/07/16/29/176071629.db2.gz DURNQSRXVYQWQA-CYBMUJFWSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCCCC1 ZINC000053341499 176071632 /nfs/dbraw/zinc/07/16/32/176071632.db2.gz DURNQSRXVYQWQA-CYBMUJFWSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000336605152 176108134 /nfs/dbraw/zinc/10/81/34/176108134.db2.gz XEWIXGDECFNRGR-LLVKDONJSA-N 2 2 247.367 2.918 20 0 BFADLP C[C@@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000336605152 176108136 /nfs/dbraw/zinc/10/81/36/176108136.db2.gz XEWIXGDECFNRGR-LLVKDONJSA-N 2 2 247.367 2.918 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000336781250 176145035 /nfs/dbraw/zinc/14/50/35/176145035.db2.gz UEHQCIOZEOXKKV-YIYPIFLZSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000336781250 176145037 /nfs/dbraw/zinc/14/50/37/176145037.db2.gz UEHQCIOZEOXKKV-YIYPIFLZSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000336781248 176145295 /nfs/dbraw/zinc/14/52/95/176145295.db2.gz UEHQCIOZEOXKKV-MQYQWHSLSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000336781248 176145296 /nfs/dbraw/zinc/14/52/96/176145296.db2.gz UEHQCIOZEOXKKV-MQYQWHSLSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[N@H+](CCC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000336707574 176169161 /nfs/dbraw/zinc/16/91/61/176169161.db2.gz NOGQEGKMFGZJDS-TZMCWYRMSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CC[N@@H+](CCC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000336707574 176169162 /nfs/dbraw/zinc/16/91/62/176169162.db2.gz NOGQEGKMFGZJDS-TZMCWYRMSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CC[C@@]2(CC[N@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000364680689 176219217 /nfs/dbraw/zinc/21/92/17/176219217.db2.gz AXGSKZNESPJSRL-HUUCEWRRSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@@H]1CC[C@@]2(CC[N@@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000364680689 176219219 /nfs/dbraw/zinc/21/92/19/176219219.db2.gz AXGSKZNESPJSRL-HUUCEWRRSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1 ZINC000274970924 176268361 /nfs/dbraw/zinc/26/83/61/176268361.db2.gz CCTLMSQSXNHCHW-DGCLKSJQSA-N 2 2 238.400 2.520 20 0 BFADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1 ZINC000274970924 176268363 /nfs/dbraw/zinc/26/83/63/176268363.db2.gz CCTLMSQSXNHCHW-DGCLKSJQSA-N 2 2 238.400 2.520 20 0 BFADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccsc1 ZINC000274970924 176268365 /nfs/dbraw/zinc/26/83/65/176268365.db2.gz CCTLMSQSXNHCHW-DGCLKSJQSA-N 2 2 238.400 2.520 20 0 BFADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccsc1 ZINC000274970924 176268366 /nfs/dbraw/zinc/26/83/66/176268366.db2.gz CCTLMSQSXNHCHW-DGCLKSJQSA-N 2 2 238.400 2.520 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337984096 176281417 /nfs/dbraw/zinc/28/14/17/176281417.db2.gz ALWXXCWLAAZGEU-MPESAESLSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337984096 176281419 /nfs/dbraw/zinc/28/14/19/176281419.db2.gz ALWXXCWLAAZGEU-MPESAESLSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337984089 176281934 /nfs/dbraw/zinc/28/19/34/176281934.db2.gz ALWXXCWLAAZGEU-CAPXZKIUSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337984089 176281936 /nfs/dbraw/zinc/28/19/36/176281936.db2.gz ALWXXCWLAAZGEU-CAPXZKIUSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362922876 176282152 /nfs/dbraw/zinc/28/21/52/176282152.db2.gz OXOSWUNKMIUOSN-DOMZBBRYSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362922876 176282153 /nfs/dbraw/zinc/28/21/53/176282153.db2.gz OXOSWUNKMIUOSN-DOMZBBRYSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362922877 176282161 /nfs/dbraw/zinc/28/21/61/176282161.db2.gz OXOSWUNKMIUOSN-IUODEOHRSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362922877 176282162 /nfs/dbraw/zinc/28/21/62/176282162.db2.gz OXOSWUNKMIUOSN-IUODEOHRSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@@H]1[NH3+] ZINC000070600271 176303303 /nfs/dbraw/zinc/30/33/03/176303303.db2.gz WIQJYEINZPZGIR-SCZZXKLOSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)CC[C@@H]1[NH3+] ZINC000070600271 176303305 /nfs/dbraw/zinc/30/33/05/176303305.db2.gz WIQJYEINZPZGIR-SCZZXKLOSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000271876726 176306656 /nfs/dbraw/zinc/30/66/56/176306656.db2.gz UCCGEMVANXDTTE-LBPRGKRZSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000271876726 176306658 /nfs/dbraw/zinc/30/66/58/176306658.db2.gz UCCGEMVANXDTTE-LBPRGKRZSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235357979 176317006 /nfs/dbraw/zinc/31/70/06/176317006.db2.gz HIGMKGZIDGFPKR-BREBYQMCSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235357979 176317008 /nfs/dbraw/zinc/31/70/08/176317008.db2.gz HIGMKGZIDGFPKR-BREBYQMCSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccsc2)CC[N@@H+]1C ZINC000093644969 176371802 /nfs/dbraw/zinc/37/18/02/176371802.db2.gz RFBBULSTKVYMJQ-YPMHNXCESA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@@H]([NH+](C)Cc2ccsc2)CC[N@H+]1C ZINC000093644969 176371803 /nfs/dbraw/zinc/37/18/03/176371803.db2.gz RFBBULSTKVYMJQ-YPMHNXCESA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccsc2)CC[NH+]1C ZINC000093644969 176371804 /nfs/dbraw/zinc/37/18/04/176371804.db2.gz RFBBULSTKVYMJQ-YPMHNXCESA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)CC[NH+]1C ZINC000093644969 176371805 /nfs/dbraw/zinc/37/18/05/176371805.db2.gz RFBBULSTKVYMJQ-YPMHNXCESA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C[N@@H+]1C1CC1 ZINC000122316975 176377795 /nfs/dbraw/zinc/37/77/95/176377795.db2.gz QHMSEPSBERRLDB-BXUZGUMPSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C[N@H+]1C1CC1 ZINC000122316975 176377798 /nfs/dbraw/zinc/37/77/98/176377798.db2.gz QHMSEPSBERRLDB-BXUZGUMPSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[NH3+] ZINC000054416770 177035759 /nfs/dbraw/zinc/03/57/59/177035759.db2.gz WTNULJRYFLHGEF-SECBINFHSA-N 2 2 246.276 2.657 20 0 BFADLP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC[NH3+] ZINC000054416770 177035761 /nfs/dbraw/zinc/03/57/61/177035761.db2.gz WTNULJRYFLHGEF-SECBINFHSA-N 2 2 246.276 2.657 20 0 BFADLP C[C@H](c1ccccc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000183121420 177038906 /nfs/dbraw/zinc/03/89/06/177038906.db2.gz GUFAQYROXNAASS-CYBMUJFWSA-N 2 2 229.327 2.576 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000183121420 177038907 /nfs/dbraw/zinc/03/89/07/177038907.db2.gz GUFAQYROXNAASS-CYBMUJFWSA-N 2 2 229.327 2.576 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC1(C)C ZINC000336778742 177075648 /nfs/dbraw/zinc/07/56/48/177075648.db2.gz MEZPDXDPLZHETM-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC1(C)C ZINC000336778742 177075650 /nfs/dbraw/zinc/07/56/50/177075650.db2.gz MEZPDXDPLZHETM-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000341487737 177079764 /nfs/dbraw/zinc/07/97/64/177079764.db2.gz PPZHSZOXPCZEIN-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674863874 487636926 /nfs/dbraw/zinc/63/69/26/487636926.db2.gz RMKHBRFIPGMWCP-STQMWFEESA-N 2 2 221.348 2.566 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674863874 487636931 /nfs/dbraw/zinc/63/69/31/487636931.db2.gz RMKHBRFIPGMWCP-STQMWFEESA-N 2 2 221.348 2.566 20 0 BFADLP C[C@H]1CC[N@H+](CCCCF)C[C@H]1n1cc[nH+]c1 ZINC000375714713 177159696 /nfs/dbraw/zinc/15/96/96/177159696.db2.gz QFJRMEXZCIIDPJ-QWHCGFSZSA-N 2 2 239.338 2.516 20 0 BFADLP C[C@H]1CC[N@@H+](CCCCF)C[C@H]1n1cc[nH+]c1 ZINC000375714713 177159697 /nfs/dbraw/zinc/15/96/97/177159697.db2.gz QFJRMEXZCIIDPJ-QWHCGFSZSA-N 2 2 239.338 2.516 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)[N@H+](C)C1CC1 ZINC000300669503 177183678 /nfs/dbraw/zinc/18/36/78/177183678.db2.gz PNIPZFMNIBYSCE-COMQUAJESA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000300669503 177183680 /nfs/dbraw/zinc/18/36/80/177183680.db2.gz PNIPZFMNIBYSCE-COMQUAJESA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062619224 177261891 /nfs/dbraw/zinc/26/18/91/177261891.db2.gz WIDAISFXMISHGT-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000062619224 177261892 /nfs/dbraw/zinc/26/18/92/177261892.db2.gz WIDAISFXMISHGT-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000355779103 177313028 /nfs/dbraw/zinc/31/30/28/177313028.db2.gz GDQSBWFRBGOQEX-RDBSUJKOSA-N 2 2 235.375 2.640 20 0 BFADLP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000355779103 177313030 /nfs/dbraw/zinc/31/30/30/177313030.db2.gz GDQSBWFRBGOQEX-RDBSUJKOSA-N 2 2 235.375 2.640 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CCCC2)C[N@@H+]1C1CC1 ZINC000119454404 177331406 /nfs/dbraw/zinc/33/14/06/177331406.db2.gz AVYJKDDSOJSLHK-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2(C)CCCC2)C[N@H+]1C1CC1 ZINC000119454404 177331408 /nfs/dbraw/zinc/33/14/08/177331408.db2.gz AVYJKDDSOJSLHK-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000122285851 177332156 /nfs/dbraw/zinc/33/21/56/177332156.db2.gz HMBHWEVDMMXXMV-SMDDNHRTSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000122285851 177332158 /nfs/dbraw/zinc/33/21/58/177332158.db2.gz HMBHWEVDMMXXMV-SMDDNHRTSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)C1 ZINC000353594954 177355492 /nfs/dbraw/zinc/35/54/92/177355492.db2.gz IORGISIFUHAIKT-XQHKEYJVSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C1 ZINC000353594954 177355494 /nfs/dbraw/zinc/35/54/94/177355494.db2.gz IORGISIFUHAIKT-XQHKEYJVSA-N 2 2 247.386 2.681 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324911980 487642605 /nfs/dbraw/zinc/64/26/05/487642605.db2.gz JTYHYVWEUHOYKC-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324911980 487642607 /nfs/dbraw/zinc/64/26/07/487642607.db2.gz JTYHYVWEUHOYKC-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400347261 225040243 /nfs/dbraw/zinc/04/02/43/225040243.db2.gz AKYPURBDSGCVTO-NFAWXSAZSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@H]1C[C@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000488418195 225394689 /nfs/dbraw/zinc/39/46/89/225394689.db2.gz MZXSFTFPTYREFP-STQMWFEESA-N 2 2 233.359 2.519 20 0 BFADLP C[C@H]1CCC[C@H](C[NH2+]C(C)(C)C[NH+](C)C)C1 ZINC000308607130 229235801 /nfs/dbraw/zinc/23/58/01/229235801.db2.gz HVPLKELGFPAFLH-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000234036642 487756900 /nfs/dbraw/zinc/75/69/00/487756900.db2.gz PVPWLLNDQFVGRX-RYUDHWBXSA-N 2 2 238.400 2.931 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414949385 487773858 /nfs/dbraw/zinc/77/38/58/487773858.db2.gz DVNBZVQKDHOYKW-SECBINFHSA-N 2 2 244.741 2.567 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675766330 487776040 /nfs/dbraw/zinc/77/60/40/487776040.db2.gz JCPYAMMLKHYAQY-XPKDYRNWSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675766330 487776045 /nfs/dbraw/zinc/77/60/45/487776045.db2.gz JCPYAMMLKHYAQY-XPKDYRNWSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000668459391 487783664 /nfs/dbraw/zinc/78/36/64/487783664.db2.gz UBALEOUOINVKSE-GFCCVEGCSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000668459391 487783670 /nfs/dbraw/zinc/78/36/70/487783670.db2.gz UBALEOUOINVKSE-GFCCVEGCSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000359375497 487786839 /nfs/dbraw/zinc/78/68/39/487786839.db2.gz FKVRMAMADWHCHX-XJKSGUPXSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000675934738 487794423 /nfs/dbraw/zinc/79/44/23/487794423.db2.gz UBYDOBGGDSMXGY-YWPYICTPSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000675934738 487794427 /nfs/dbraw/zinc/79/44/27/487794427.db2.gz UBYDOBGGDSMXGY-YWPYICTPSA-N 2 2 236.403 2.637 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000385851619 487809984 /nfs/dbraw/zinc/80/99/84/487809984.db2.gz VEYPGNBWTLJTBV-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000385851619 487809987 /nfs/dbraw/zinc/80/99/87/487809987.db2.gz VEYPGNBWTLJTBV-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000651666787 487813808 /nfs/dbraw/zinc/81/38/08/487813808.db2.gz OGPWEGAKYDEAQB-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@H]1CC2(CCC2)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668064420 487824827 /nfs/dbraw/zinc/82/48/27/487824827.db2.gz LNYUIXQWWMZGOA-LBPRGKRZSA-N 2 2 245.370 2.594 20 0 BFADLP C[C@H]1CC2(CCC2)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668064420 487824831 /nfs/dbraw/zinc/82/48/31/487824831.db2.gz LNYUIXQWWMZGOA-LBPRGKRZSA-N 2 2 245.370 2.594 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCCC[C@@H]2C)n1C ZINC000668115588 487843515 /nfs/dbraw/zinc/84/35/15/487843515.db2.gz CALBXOPPUATUMK-FZMZJTMJSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCCC[C@@H]2C)n1C ZINC000668115588 487843518 /nfs/dbraw/zinc/84/35/18/487843518.db2.gz CALBXOPPUATUMK-FZMZJTMJSA-N 2 2 235.375 2.739 20 0 BFADLP C[C@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC000670264870 487867315 /nfs/dbraw/zinc/86/73/15/487867315.db2.gz LQQIZVSQEIHBON-MCIONIFRSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC000670264870 487867321 /nfs/dbraw/zinc/86/73/21/487867321.db2.gz LQQIZVSQEIHBON-MCIONIFRSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000670264870 487867325 /nfs/dbraw/zinc/86/73/25/487867325.db2.gz LQQIZVSQEIHBON-MCIONIFRSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000670264870 487867330 /nfs/dbraw/zinc/86/73/30/487867330.db2.gz LQQIZVSQEIHBON-MCIONIFRSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000666860480 487873682 /nfs/dbraw/zinc/87/36/82/487873682.db2.gz BZWGGDVXSSLKRP-MLGOLLRUSA-N 2 2 244.382 2.652 20 0 BFADLP c1cc(C2CC2)ccc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666770469 487876586 /nfs/dbraw/zinc/87/65/86/487876586.db2.gz CFWQCBRVXVGXCQ-INIZCTEOSA-N 2 2 244.382 2.796 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000669846726 487879904 /nfs/dbraw/zinc/87/99/04/487879904.db2.gz PPGOPAVGTOULNR-IHRRRGAJSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)C1 ZINC000669846726 487879909 /nfs/dbraw/zinc/87/99/09/487879909.db2.gz PPGOPAVGTOULNR-IHRRRGAJSA-N 2 2 242.382 2.589 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C23CCC(CC2)CC3)n1C ZINC000668219925 487881332 /nfs/dbraw/zinc/88/13/32/487881332.db2.gz YQBFHBYRPAGJNI-UHFFFAOYSA-N 2 2 233.359 2.541 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000669847152 487881112 /nfs/dbraw/zinc/88/11/12/487881112.db2.gz KIKJCGFADQFOEV-JYJNAYRXSA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000669847152 487881118 /nfs/dbraw/zinc/88/11/18/487881118.db2.gz KIKJCGFADQFOEV-JYJNAYRXSA-N 2 2 248.414 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)n1C ZINC000668220476 487881452 /nfs/dbraw/zinc/88/14/52/487881452.db2.gz RONAYFBNTHIQKD-LSDHHAIUSA-N 2 2 249.402 2.841 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C(C)C)[C@H]2C(C)C)n1C ZINC000668220476 487881457 /nfs/dbraw/zinc/88/14/57/487881457.db2.gz RONAYFBNTHIQKD-LSDHHAIUSA-N 2 2 249.402 2.841 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000666885687 487897800 /nfs/dbraw/zinc/89/78/00/487897800.db2.gz UHVMOLJAMZWIEO-LRDDRELGSA-N 2 2 244.382 2.794 20 0 BFADLP F[C@@H]1C[NH2+][C@H](C[NH2+]CCCC2CCCCC2)C1 ZINC000666947664 487911283 /nfs/dbraw/zinc/91/12/83/487911283.db2.gz FRVKXOBVVIRAML-KBPBESRZSA-N 2 2 242.382 2.637 20 0 BFADLP C[C@@H](CCC1CCCC1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947816 487912293 /nfs/dbraw/zinc/91/22/93/487912293.db2.gz JKFQGAXYARLIEJ-UBHSHLNASA-N 2 2 242.382 2.635 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519322 487918756 /nfs/dbraw/zinc/91/87/56/487918756.db2.gz GGEUWMDMGDGXQC-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519322 487918763 /nfs/dbraw/zinc/91/87/63/487918763.db2.gz GGEUWMDMGDGXQC-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC000676900794 487943222 /nfs/dbraw/zinc/94/32/22/487943222.db2.gz NRTQDTOJZGHNKF-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC000676900794 487943226 /nfs/dbraw/zinc/94/32/26/487943226.db2.gz NRTQDTOJZGHNKF-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)Cc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000258989107 322880615 /nfs/dbraw/zinc/88/06/15/322880615.db2.gz VPMWFLXRPHJCLG-INIZCTEOSA-N 2 2 246.398 2.727 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC1(C)C ZINC000564472529 322975875 /nfs/dbraw/zinc/97/58/75/322975875.db2.gz YGTKVYNYJJPRJI-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H](C[NH2+]C(C1CC1)C1CC1)[NH+]1CCCC1 ZINC000151668590 323022585 /nfs/dbraw/zinc/02/25/85/323022585.db2.gz WZRKPZGDCXHCMC-AWEZNQCLSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)[C@@H]1C[C@@H]1C ZINC000565242393 323037492 /nfs/dbraw/zinc/03/74/92/323037492.db2.gz FDCACXXCLXYHBY-BYNSBNAKSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000408510359 323047037 /nfs/dbraw/zinc/04/70/37/323047037.db2.gz MPNPQBMMCJJNHE-BYNSBNAKSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000570108069 323050227 /nfs/dbraw/zinc/05/02/27/323050227.db2.gz RPNIEYINVIOGHC-ILXRZTDVSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC2CCC(C)CC2)n1C ZINC000570294724 323055668 /nfs/dbraw/zinc/05/56/68/323055668.db2.gz WIJYDFSPDLLOIZ-UHFFFAOYSA-N 2 2 235.375 2.644 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2cc3ccccc3o2)C1 ZINC000570580862 323063914 /nfs/dbraw/zinc/06/39/14/323063914.db2.gz GQJPVEFDBWLFHF-UHFFFAOYSA-N 2 2 244.338 2.615 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC000394563525 323081095 /nfs/dbraw/zinc/08/10/95/323081095.db2.gz HFCQUKFBDKRCEE-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394563525 323081096 /nfs/dbraw/zinc/08/10/96/323081096.db2.gz HFCQUKFBDKRCEE-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c(C)c1 ZINC000516651881 323081362 /nfs/dbraw/zinc/08/13/62/323081362.db2.gz UJQLUJOVPGKFKC-XNRPHZJLSA-N 2 2 246.398 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCCC(C)(F)F)C[N@@H+]1C1CC1 ZINC000390089897 323083570 /nfs/dbraw/zinc/08/35/70/323083570.db2.gz IIPIVZVNACUYRE-MNOVXSKESA-N 2 2 246.345 2.637 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@H]1CC1(C)C ZINC000397832120 323097618 /nfs/dbraw/zinc/09/76/18/323097618.db2.gz NKGLUCVRWFGBIS-ZIAGYGMSSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC000531728919 323111676 /nfs/dbraw/zinc/11/16/76/323111676.db2.gz XJXQCFHAWHBKIV-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC000531728919 323111677 /nfs/dbraw/zinc/11/16/77/323111677.db2.gz XJXQCFHAWHBKIV-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000531691904 323111706 /nfs/dbraw/zinc/11/17/06/323111706.db2.gz YYUJSNDDATTZSP-RRFJBIMHSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000531704789 323111978 /nfs/dbraw/zinc/11/19/78/323111978.db2.gz MLBGVTINZRHTCE-ZQDZILKHSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000531704789 323111979 /nfs/dbraw/zinc/11/19/79/323111979.db2.gz MLBGVTINZRHTCE-ZQDZILKHSA-N 2 2 238.419 2.741 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000563350894 323120189 /nfs/dbraw/zinc/12/01/89/323120189.db2.gz SZVLEKSOLZWPFP-HIFRSBDPSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000563350894 323120190 /nfs/dbraw/zinc/12/01/90/323120190.db2.gz SZVLEKSOLZWPFP-HIFRSBDPSA-N 2 2 247.386 2.617 20 0 BFADLP C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000563442889 323126881 /nfs/dbraw/zinc/12/68/81/323126881.db2.gz BQAHRIVITYJEAW-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000563442889 323126882 /nfs/dbraw/zinc/12/68/82/323126882.db2.gz BQAHRIVITYJEAW-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000571614335 323149373 /nfs/dbraw/zinc/14/93/73/323149373.db2.gz MIXCMIHLEPESOF-AWEZNQCLSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CC1 ZINC000571614335 323149374 /nfs/dbraw/zinc/14/93/74/323149374.db2.gz MIXCMIHLEPESOF-AWEZNQCLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000531984507 323163700 /nfs/dbraw/zinc/16/37/00/323163700.db2.gz HFJDPBSSDYNXSZ-KGLIPLIRSA-N 2 2 232.371 2.679 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000531984507 323163701 /nfs/dbraw/zinc/16/37/01/323163701.db2.gz HFJDPBSSDYNXSZ-KGLIPLIRSA-N 2 2 232.371 2.679 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000070562270 323199979 /nfs/dbraw/zinc/19/99/79/323199979.db2.gz BXDMEGDRNWDIOT-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cc[nH+]cc1Cn1cc[nH+]c1C1CC1 ZINC000530128687 323202449 /nfs/dbraw/zinc/20/24/49/323202449.db2.gz AKCGNJMNPAFXSZ-UHFFFAOYSA-N 2 2 213.284 2.512 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]CC[NH+](CC)CC ZINC000116381813 323204888 /nfs/dbraw/zinc/20/48/88/323204888.db2.gz KIRMNIVJKWIEHS-MRXNPFEDSA-N 2 2 248.414 2.939 20 0 BFADLP CCCC1CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000532208501 323209883 /nfs/dbraw/zinc/20/98/83/323209883.db2.gz PUIOMBLRZFKRIS-URGYJCLVSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC1CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000532208501 323209884 /nfs/dbraw/zinc/20/98/84/323209884.db2.gz PUIOMBLRZFKRIS-URGYJCLVSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000532215639 323210160 /nfs/dbraw/zinc/21/01/60/323210160.db2.gz ILDHPIRKQAXZGA-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000532215639 323210162 /nfs/dbraw/zinc/21/01/62/323210162.db2.gz ILDHPIRKQAXZGA-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000532231339 323210512 /nfs/dbraw/zinc/21/05/12/323210512.db2.gz OWBPGGYQZGJFPL-IJEWVQPXSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000532231339 323210513 /nfs/dbraw/zinc/21/05/13/323210513.db2.gz OWBPGGYQZGJFPL-IJEWVQPXSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530217686 323217126 /nfs/dbraw/zinc/21/71/26/323217126.db2.gz GWWWSECWFIPBJG-ZFWWWQNUSA-N 2 2 244.382 2.930 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1F ZINC000530220502 323217969 /nfs/dbraw/zinc/21/79/69/323217969.db2.gz OIUAKNGNLUYGGO-FZMZJTMJSA-N 2 2 248.345 2.761 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000532468203 323267011 /nfs/dbraw/zinc/26/70/11/323267011.db2.gz NLAGSAVDTTYJQG-VNHYZAJKSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000532468203 323267014 /nfs/dbraw/zinc/26/70/14/323267014.db2.gz NLAGSAVDTTYJQG-VNHYZAJKSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCc3ccccc32)C1 ZINC000532532135 323273775 /nfs/dbraw/zinc/27/37/75/323273775.db2.gz BVMJRWPRYSVOPZ-BBRMVZONSA-N 2 2 244.382 2.605 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3ccccc32)C1 ZINC000532532135 323273779 /nfs/dbraw/zinc/27/37/79/323273779.db2.gz BVMJRWPRYSVOPZ-BBRMVZONSA-N 2 2 244.382 2.605 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000396678908 323652402 /nfs/dbraw/zinc/65/24/02/323652402.db2.gz VBGALOQOFMEJNF-GXFFZTMASA-N 2 2 238.762 2.570 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400795214 324168924 /nfs/dbraw/zinc/16/89/24/324168924.db2.gz SRVRPBMTSBDJDJ-UMVBOHGHSA-N 2 2 232.371 2.786 20 0 BFADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000529669370 324374759 /nfs/dbraw/zinc/37/47/59/324374759.db2.gz LZNYMWXRZSIMSJ-OJLVUWQFSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@H+]1C1CCCC1 ZINC000529669370 324374764 /nfs/dbraw/zinc/37/47/64/324374764.db2.gz LZNYMWXRZSIMSJ-OJLVUWQFSA-N 2 2 248.414 2.782 20 0 BFADLP COc1cc(C)[nH+]c(Cn2cc[nH+]c2C2CC2)c1 ZINC000530129714 324487517 /nfs/dbraw/zinc/48/75/17/324487517.db2.gz OZVFZMMUAHGSHV-UHFFFAOYSA-N 2 2 243.310 2.521 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530218784 324537360 /nfs/dbraw/zinc/53/73/60/324537360.db2.gz JNTMMSGAOQYOSW-HIFRSBDPSA-N 2 2 244.382 2.930 20 0 BFADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)c(C)s1 ZINC000230195638 325010541 /nfs/dbraw/zinc/01/05/41/325010541.db2.gz SRAWWSHYSHHGFF-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)s1 ZINC000230195638 325010543 /nfs/dbraw/zinc/01/05/43/325010543.db2.gz SRAWWSHYSHHGFF-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000130225618 325026111 /nfs/dbraw/zinc/02/61/11/325026111.db2.gz NEPZUHLSADKEIM-CABCVRRESA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000130386900 325047149 /nfs/dbraw/zinc/04/71/49/325047149.db2.gz UTYKQRHYASFWHA-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1CCCC1)[N@H+](C)C1CC1 ZINC000131119076 325119436 /nfs/dbraw/zinc/11/94/36/325119436.db2.gz AXIMKVRHNPZEBE-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1CCCC1)[N@@H+](C)C1CC1 ZINC000131119076 325119439 /nfs/dbraw/zinc/11/94/39/325119439.db2.gz AXIMKVRHNPZEBE-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)C[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000132063392 325196816 /nfs/dbraw/zinc/19/68/16/325196816.db2.gz MIBLLIWPZUSSDG-CQSZACIVSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000132063392 325196817 /nfs/dbraw/zinc/19/68/17/325196817.db2.gz MIBLLIWPZUSSDG-CQSZACIVSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000545920938 325247010 /nfs/dbraw/zinc/24/70/10/325247010.db2.gz PIIRTVAPZQFZMF-LXTVHRRPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)C1 ZINC000545920938 325247015 /nfs/dbraw/zinc/24/70/15/325247015.db2.gz PIIRTVAPZQFZMF-LXTVHRRPSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000566672620 326072439 /nfs/dbraw/zinc/07/24/39/326072439.db2.gz QNCSVARZVWIRHN-BPLDGKMQSA-N 2 2 232.371 2.855 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000567259659 326152337 /nfs/dbraw/zinc/15/23/37/326152337.db2.gz NEOOTLIWLIUOFF-LSDHHAIUSA-N 2 2 232.371 2.711 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC1(C)C ZINC000154656691 326155850 /nfs/dbraw/zinc/15/58/50/326155850.db2.gz HMLUDLWRVXRCFP-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCCC1(C)C ZINC000154656691 326155853 /nfs/dbraw/zinc/15/58/53/326155853.db2.gz HMLUDLWRVXRCFP-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155696358 326207818 /nfs/dbraw/zinc/20/78/18/326207818.db2.gz WHQZZIZPTIQZFB-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000156709494 326240606 /nfs/dbraw/zinc/24/06/06/326240606.db2.gz VCMJXTMQWKJVHF-DZGCQCFKSA-N 2 2 238.419 2.743 20 0 BFADLP CCCc1[nH+]ccn1CC[NH+]1CCC(C)CC1 ZINC000158250322 326312862 /nfs/dbraw/zinc/31/28/62/326312862.db2.gz QZIBOIABFVYFLE-UHFFFAOYSA-N 2 2 235.375 2.568 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCCC2(C)C)n1C ZINC000569140136 326392888 /nfs/dbraw/zinc/39/28/88/326392888.db2.gz DAXCCGCVDCGEMB-ZDUSSCGKSA-N 2 2 235.375 2.787 20 0 BFADLP CC(C)[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000163857097 326406045 /nfs/dbraw/zinc/40/60/45/326406045.db2.gz PMJLMCJSUWMNEW-HNNXBMFYSA-N 2 2 247.386 2.908 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1 ZINC000572857052 326415479 /nfs/dbraw/zinc/41/54/79/326415479.db2.gz LWWKTLLFPPHOFL-OAHLLOKOSA-N 2 2 243.354 2.969 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134288582 487978266 /nfs/dbraw/zinc/97/82/66/487978266.db2.gz STGSRFIXXRZWPO-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134288582 487978269 /nfs/dbraw/zinc/97/82/69/487978269.db2.gz STGSRFIXXRZWPO-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000682070915 487985335 /nfs/dbraw/zinc/98/53/35/487985335.db2.gz GPUWCJOJTVJDAX-LLVKDONJSA-N 2 2 221.348 2.778 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]2c2ccccc2)n1C ZINC000667464106 488014473 /nfs/dbraw/zinc/01/44/73/488014473.db2.gz HPBWCKSNVOVRTR-OAHLLOKOSA-N 2 2 241.338 2.676 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]2c2ccccc2)n1C ZINC000667464106 488014477 /nfs/dbraw/zinc/01/44/77/488014477.db2.gz HPBWCKSNVOVRTR-OAHLLOKOSA-N 2 2 241.338 2.676 20 0 BFADLP CC[N@H+](Cc1c[nH+]c(C)n1C)C1CCCCC1 ZINC000667469982 488016043 /nfs/dbraw/zinc/01/60/43/488016043.db2.gz LSJMEUSSILMKFD-UHFFFAOYSA-N 2 2 235.375 2.883 20 0 BFADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)C1CCCCC1 ZINC000667469982 488016047 /nfs/dbraw/zinc/01/60/47/488016047.db2.gz LSJMEUSSILMKFD-UHFFFAOYSA-N 2 2 235.375 2.883 20 0 BFADLP Cc1[nH+]cc(CN(C)Cc2ccccc2C)n1C ZINC000667475314 488020572 /nfs/dbraw/zinc/02/05/72/488020572.db2.gz LQFXCBCAPKOVIB-UHFFFAOYSA-N 2 2 243.354 2.669 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)Cc2ccccc2C)n1C ZINC000667475314 488020576 /nfs/dbraw/zinc/02/05/76/488020576.db2.gz LQFXCBCAPKOVIB-UHFFFAOYSA-N 2 2 243.354 2.669 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)Cc2ccccc2C)n1C ZINC000667475314 488020582 /nfs/dbraw/zinc/02/05/82/488020582.db2.gz LQFXCBCAPKOVIB-UHFFFAOYSA-N 2 2 243.354 2.669 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)c2ccco2)n1C ZINC000667499905 488029954 /nfs/dbraw/zinc/02/99/54/488029954.db2.gz XZBUKFXQBZEYPN-JTQLQIEISA-N 2 2 233.315 2.515 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)c2ccco2)n1C ZINC000667499905 488029959 /nfs/dbraw/zinc/02/99/59/488029959.db2.gz XZBUKFXQBZEYPN-JTQLQIEISA-N 2 2 233.315 2.515 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](CCC(C)C)C2CC2)n1C ZINC000667497871 488030597 /nfs/dbraw/zinc/03/05/97/488030597.db2.gz QIZVWGKATVZINO-UHFFFAOYSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](CCC(C)C)C2CC2)n1C ZINC000667497871 488030600 /nfs/dbraw/zinc/03/06/00/488030600.db2.gz QIZVWGKATVZINO-UHFFFAOYSA-N 2 2 235.375 2.739 20 0 BFADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)C(C)C ZINC000667561044 488046649 /nfs/dbraw/zinc/04/66/49/488046649.db2.gz JMEHLGZDUBHJAQ-NSHDSACASA-N 2 2 223.364 2.595 20 0 BFADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@@H](C)C(C)C ZINC000667561044 488046654 /nfs/dbraw/zinc/04/66/54/488046654.db2.gz JMEHLGZDUBHJAQ-NSHDSACASA-N 2 2 223.364 2.595 20 0 BFADLP CC1(C)CCC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667668206 488082457 /nfs/dbraw/zinc/08/24/57/488082457.db2.gz GADVEKZLFRELDF-UHFFFAOYSA-N 2 2 247.386 2.841 20 0 BFADLP CC1(C)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667668206 488082464 /nfs/dbraw/zinc/08/24/64/488082464.db2.gz GADVEKZLFRELDF-UHFFFAOYSA-N 2 2 247.386 2.841 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000389251242 488084896 /nfs/dbraw/zinc/08/48/96/488084896.db2.gz MTGJHTHNKFHACQ-YXMGTMDOSA-N 2 2 244.382 2.774 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000389251242 488084902 /nfs/dbraw/zinc/08/49/02/488084902.db2.gz MTGJHTHNKFHACQ-YXMGTMDOSA-N 2 2 244.382 2.774 20 0 BFADLP CC[C@@H](C)C[N@H+](CC)Cc1c[nH+]c(C)n1C ZINC000667688013 488086325 /nfs/dbraw/zinc/08/63/25/488086325.db2.gz CUOKGMSUASGWNE-LLVKDONJSA-N 2 2 223.364 2.597 20 0 BFADLP CC[C@@H](C)C[N@@H+](CC)Cc1c[nH+]c(C)n1C ZINC000667688013 488086328 /nfs/dbraw/zinc/08/63/28/488086328.db2.gz CUOKGMSUASGWNE-LLVKDONJSA-N 2 2 223.364 2.597 20 0 BFADLP C[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C[C@H](C)C1 ZINC000667694838 488090506 /nfs/dbraw/zinc/09/05/06/488090506.db2.gz AGRAVXBSQOMCBE-QWHCGFSZSA-N 2 2 247.386 2.697 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378968648 488114752 /nfs/dbraw/zinc/11/47/52/488114752.db2.gz XSEAGMYVFMNBKY-ILXRZTDVSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000685463087 487530510 /nfs/dbraw/zinc/53/05/10/487530510.db2.gz UXGBRMFTJVILCG-QWHCGFSZSA-N 2 2 249.402 2.892 20 0 BFADLP C[C@@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000685463087 487530512 /nfs/dbraw/zinc/53/05/12/487530512.db2.gz UXGBRMFTJVILCG-QWHCGFSZSA-N 2 2 249.402 2.892 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000382105335 487531487 /nfs/dbraw/zinc/53/14/87/487531487.db2.gz COTGZTPAHJPXMH-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000382105335 487531489 /nfs/dbraw/zinc/53/14/89/487531489.db2.gz COTGZTPAHJPXMH-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1occc1C ZINC000668240920 487532872 /nfs/dbraw/zinc/53/28/72/487532872.db2.gz WSOPIXPVROFZOF-UHFFFAOYSA-N 2 2 247.342 2.652 20 0 BFADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1occc1C ZINC000668240920 487532873 /nfs/dbraw/zinc/53/28/73/487532873.db2.gz WSOPIXPVROFZOF-UHFFFAOYSA-N 2 2 247.342 2.652 20 0 BFADLP CCC[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000671438997 487484630 /nfs/dbraw/zinc/48/46/30/487484630.db2.gz SGFZKBIQHCSXOS-UHFFFAOYSA-N 2 2 247.386 2.809 20 0 BFADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668228493 487490192 /nfs/dbraw/zinc/49/01/92/487490192.db2.gz KOXBBAARDAHDOI-HZSPNIEDSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668228493 487490197 /nfs/dbraw/zinc/49/01/97/487490197.db2.gz KOXBBAARDAHDOI-HZSPNIEDSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000130325271 487494783 /nfs/dbraw/zinc/49/47/83/487494783.db2.gz UFQZBHXJVBYJSL-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000685423906 487519692 /nfs/dbraw/zinc/51/96/92/487519692.db2.gz BYMNHPOBYWFCGB-DZGCQCFKSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000685423906 487519695 /nfs/dbraw/zinc/51/96/95/487519695.db2.gz BYMNHPOBYWFCGB-DZGCQCFKSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@H](C[NH+]1CCCC1)Nc1cc(C)cc[nH+]1 ZINC000675287914 487689018 /nfs/dbraw/zinc/68/90/18/487689018.db2.gz SAINSEIMMORBGQ-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)[NH+](C)C ZINC000394425358 488074866 /nfs/dbraw/zinc/07/48/66/488074866.db2.gz BJZXCYIDFRBYQE-ANLGBYQQSA-N 2 2 238.419 2.741 20 0 BFADLP CCC(CC)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657562203 488134901 /nfs/dbraw/zinc/13/49/01/488134901.db2.gz LKCMZYKGQMFZJU-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657562203 488134906 /nfs/dbraw/zinc/13/49/06/488134906.db2.gz LKCMZYKGQMFZJU-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394756758 488151532 /nfs/dbraw/zinc/15/15/32/488151532.db2.gz YIUCNWKYVXTMNK-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394756758 488151537 /nfs/dbraw/zinc/15/15/37/488151537.db2.gz YIUCNWKYVXTMNK-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)n1C ZINC000667965047 488169356 /nfs/dbraw/zinc/16/93/56/488169356.db2.gz ZPLHXIRCJDGSSJ-GLQYFDAESA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)n1C ZINC000667965047 488169360 /nfs/dbraw/zinc/16/93/60/488169360.db2.gz ZPLHXIRCJDGSSJ-GLQYFDAESA-N 2 2 247.386 2.739 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)CC1(C)C ZINC000667988034 488176836 /nfs/dbraw/zinc/17/68/36/488176836.db2.gz ZFFNUOGRWFBLFG-GFCCVEGCSA-N 2 2 247.386 2.697 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1(C)C ZINC000667988034 488176841 /nfs/dbraw/zinc/17/68/41/488176841.db2.gz ZFFNUOGRWFBLFG-GFCCVEGCSA-N 2 2 247.386 2.697 20 0 BFADLP Cc1[nH+]cc(C[NH+]2CCC(C)(C(C)C)CC2)n1C ZINC000668011405 488184194 /nfs/dbraw/zinc/18/41/94/488184194.db2.gz AFLOWXOPDTURGQ-UHFFFAOYSA-N 2 2 249.402 2.987 20 0 BFADLP CC[C@@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000678072603 488191389 /nfs/dbraw/zinc/19/13/89/488191389.db2.gz ACBNFSWWDAKROX-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000678072603 488191390 /nfs/dbraw/zinc/19/13/90/488191390.db2.gz ACBNFSWWDAKROX-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683693733 488207960 /nfs/dbraw/zinc/20/79/60/488207960.db2.gz CNPAFLGQCSJCGG-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683693733 488207962 /nfs/dbraw/zinc/20/79/62/488207962.db2.gz CNPAFLGQCSJCGG-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP C(C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCC1 ZINC000398676976 488222234 /nfs/dbraw/zinc/22/22/34/488222234.db2.gz VSIATYRVRYSYKB-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)C1CCC1 ZINC000398676976 488222236 /nfs/dbraw/zinc/22/22/36/488222236.db2.gz VSIATYRVRYSYKB-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP c1cn([C@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c[nH+]1 ZINC000678235687 488223101 /nfs/dbraw/zinc/22/31/01/488223101.db2.gz YCKXVMRFPHLLGL-CABCVRRESA-N 2 2 245.370 2.876 20 0 BFADLP c1cn([C@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c[nH+]1 ZINC000678235687 488223103 /nfs/dbraw/zinc/22/31/03/488223103.db2.gz YCKXVMRFPHLLGL-CABCVRRESA-N 2 2 245.370 2.876 20 0 BFADLP c1cn([C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)c[nH+]1 ZINC000678235689 488223344 /nfs/dbraw/zinc/22/33/44/488223344.db2.gz YCKXVMRFPHLLGL-GJZGRUSLSA-N 2 2 245.370 2.876 20 0 BFADLP c1cn([C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c[nH+]1 ZINC000678235689 488223347 /nfs/dbraw/zinc/22/33/47/488223347.db2.gz YCKXVMRFPHLLGL-GJZGRUSLSA-N 2 2 245.370 2.876 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC000678583859 488268528 /nfs/dbraw/zinc/26/85/28/488268528.db2.gz BEHJFECMADZWQB-DAXOMENPSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC000678583859 488268529 /nfs/dbraw/zinc/26/85/29/488268529.db2.gz BEHJFECMADZWQB-DAXOMENPSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@@H](C)C2CC2)c[nH+]1 ZINC000684373857 488302403 /nfs/dbraw/zinc/30/24/03/488302403.db2.gz XFTLWGQZXUCTKN-GFCCVEGCSA-N 2 2 232.371 2.958 20 0 BFADLP Fc1ccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCC2)cc1 ZINC000684619317 488333686 /nfs/dbraw/zinc/33/36/86/488333686.db2.gz PDRSIVFMZJCNOI-UHFFFAOYSA-N 2 2 245.301 2.718 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000679575321 488358800 /nfs/dbraw/zinc/35/88/00/488358800.db2.gz QNVSYIUCLAHICL-ZNMIVQPWSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CC2)C1 ZINC000679575321 488358802 /nfs/dbraw/zinc/35/88/02/488358802.db2.gz QNVSYIUCLAHICL-ZNMIVQPWSA-N 2 2 236.403 2.639 20 0 BFADLP c1cn(-c2ccc(C[N@H+]3CC=CCC3)cc2)c[nH+]1 ZINC000679322268 490112724 /nfs/dbraw/zinc/11/27/24/490112724.db2.gz YHNTWEXRCCMNBZ-UHFFFAOYSA-N 2 2 239.322 2.634 20 0 BFADLP c1cn(-c2ccc(C[N@@H+]3CC=CCC3)cc2)c[nH+]1 ZINC000679322268 490112734 /nfs/dbraw/zinc/11/27/34/490112734.db2.gz YHNTWEXRCCMNBZ-UHFFFAOYSA-N 2 2 239.322 2.634 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1cccs1 ZINC000070851230 490241666 /nfs/dbraw/zinc/24/16/66/490241666.db2.gz CLDLQDLFOYDQDD-LBPRGKRZSA-N 2 2 240.416 2.611 20 0 BFADLP C[C@@H](CC[N@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668538801 490357107 /nfs/dbraw/zinc/35/71/07/490357107.db2.gz CTOUMZCFYVGUGW-AWEZNQCLSA-N 2 2 246.398 2.674 20 0 BFADLP C[C@@H](CC[N@@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668538801 490357111 /nfs/dbraw/zinc/35/71/11/490357111.db2.gz CTOUMZCFYVGUGW-AWEZNQCLSA-N 2 2 246.398 2.674 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000086842667 491064669 /nfs/dbraw/zinc/06/46/69/491064669.db2.gz OTIXBILJHQCHLK-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CCCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000088512801 491104071 /nfs/dbraw/zinc/10/40/71/491104071.db2.gz MYUHQQLCWNYVLX-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@H]1CCCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000088512803 491104154 /nfs/dbraw/zinc/10/41/54/491104154.db2.gz MYUHQQLCWNYVLX-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP CCCc1cccc(C[N@H+](C)CC2C[NH+](C)C2)c1 ZINC000668538703 491127317 /nfs/dbraw/zinc/12/73/17/491127317.db2.gz AKHKRZJYZWBOJI-UHFFFAOYSA-N 2 2 246.398 2.633 20 0 BFADLP CCCc1cccc(C[N@@H+](C)CC2C[NH+](C)C2)c1 ZINC000668538703 491127318 /nfs/dbraw/zinc/12/73/18/491127318.db2.gz AKHKRZJYZWBOJI-UHFFFAOYSA-N 2 2 246.398 2.633 20 0 BFADLP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000494444511 533784918 /nfs/dbraw/zinc/78/49/18/533784918.db2.gz MIWZOXNBELUZOF-NFAWXSAZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000494444511 533784923 /nfs/dbraw/zinc/78/49/23/533784923.db2.gz MIWZOXNBELUZOF-NFAWXSAZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000400372551 533915943 /nfs/dbraw/zinc/91/59/43/533915943.db2.gz UKKZKEUABKEGTJ-GWCFXTLKSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000400390665 533927931 /nfs/dbraw/zinc/92/79/31/533927931.db2.gz ZTGZXRNKFIHDAK-GXFFZTMASA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)[C@H]1C ZINC000494947634 533952437 /nfs/dbraw/zinc/95/24/37/533952437.db2.gz ALDPHSHUWLIAHT-RFGFWPKPSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)[C@H]1C ZINC000494947634 533952445 /nfs/dbraw/zinc/95/24/45/533952445.db2.gz ALDPHSHUWLIAHT-RFGFWPKPSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C(C[NH2+]C[C@H](C)[N@H+](C)C1CC1)C(C)C ZINC000306083519 527587322 /nfs/dbraw/zinc/58/73/22/527587322.db2.gz FHEJSNFLOIBISM-ZDUSSCGKSA-N 2 2 240.435 2.987 20 0 BFADLP CC(C)C(C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)C(C)C ZINC000306083519 527587331 /nfs/dbraw/zinc/58/73/31/527587331.db2.gz FHEJSNFLOIBISM-ZDUSSCGKSA-N 2 2 240.435 2.987 20 0 BFADLP CCC[C@H](C[N@@H+]1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000469833075 528129616 /nfs/dbraw/zinc/12/96/16/528129616.db2.gz ZVHMQTIOUJGEFQ-CVEARBPZSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@H](C[N@H+]1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000469833075 528129621 /nfs/dbraw/zinc/12/96/21/528129621.db2.gz ZVHMQTIOUJGEFQ-CVEARBPZSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@H](C[N@@H+]1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000469833077 528130336 /nfs/dbraw/zinc/13/03/36/528130336.db2.gz ZVHMQTIOUJGEFQ-HZPDHXFCSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@H](C[N@H+]1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000469833077 528130339 /nfs/dbraw/zinc/13/03/39/528130339.db2.gz ZVHMQTIOUJGEFQ-HZPDHXFCSA-N 2 2 246.398 2.864 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000479417149 528171507 /nfs/dbraw/zinc/17/15/07/528171507.db2.gz SKAJZNMLOVRHJA-BBRMVZONSA-N 2 2 246.398 2.850 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000479417149 528171513 /nfs/dbraw/zinc/17/15/13/528171513.db2.gz SKAJZNMLOVRHJA-BBRMVZONSA-N 2 2 246.398 2.850 20 0 BFADLP CCC[C@H]1[C@H](C)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459368828 528444383 /nfs/dbraw/zinc/44/43/83/528444383.db2.gz DHHWBUQXQWMTSK-HIFRSBDPSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@H]1[C@H](C)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459368828 528444388 /nfs/dbraw/zinc/44/43/88/528444388.db2.gz DHHWBUQXQWMTSK-HIFRSBDPSA-N 2 2 249.402 2.863 20 0 BFADLP CC[N@H+](CC[NH2+]CC(C(C)C)C(C)C)C1CC1 ZINC000306083930 528508653 /nfs/dbraw/zinc/50/86/53/528508653.db2.gz FLRPBDCHXMIELG-UHFFFAOYSA-N 2 2 240.435 2.989 20 0 BFADLP CC[N@@H+](CC[NH2+]CC(C(C)C)C(C)C)C1CC1 ZINC000306083930 528508658 /nfs/dbraw/zinc/50/86/58/528508658.db2.gz FLRPBDCHXMIELG-UHFFFAOYSA-N 2 2 240.435 2.989 20 0 BFADLP CCC(CC)(CC)C[NH2+]C[C@H](C)[NH+](C)C ZINC000309093191 528630583 /nfs/dbraw/zinc/63/05/83/528630583.db2.gz CXXANBLLQWNZEX-LBPRGKRZSA-N 2 2 214.397 2.743 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000300410462 528652027 /nfs/dbraw/zinc/65/20/27/528652027.db2.gz HTYINFHPMDWUPG-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000300410462 528652030 /nfs/dbraw/zinc/65/20/30/528652030.db2.gz HTYINFHPMDWUPG-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@@H]1C[C@@H]1C)CC2 ZINC000488313996 529112091 /nfs/dbraw/zinc/11/20/91/529112091.db2.gz NUKKRTCUUTXKBI-XQLPTFJDSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@@H]1C[C@@H]1C)CC2 ZINC000488313996 529112093 /nfs/dbraw/zinc/11/20/93/529112093.db2.gz NUKKRTCUUTXKBI-XQLPTFJDSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C[C@@H]1C[C@@H]1C)CC2 ZINC000488313996 529112095 /nfs/dbraw/zinc/11/20/95/529112095.db2.gz NUKKRTCUUTXKBI-XQLPTFJDSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C[C@@H]1C[C@@H]1C)CC2 ZINC000488313996 529112096 /nfs/dbraw/zinc/11/20/96/529112096.db2.gz NUKKRTCUUTXKBI-XQLPTFJDSA-N 2 2 236.403 2.590 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000494449018 529305000 /nfs/dbraw/zinc/30/50/00/529305000.db2.gz AWJYUZVCPSKIKE-MCIONIFRSA-N 2 2 247.386 2.756 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227872761 535011289 /nfs/dbraw/zinc/01/12/89/535011289.db2.gz ZFSNWVGXFXNINH-HUUCEWRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227872761 535011299 /nfs/dbraw/zinc/01/12/99/535011299.db2.gz ZFSNWVGXFXNINH-HUUCEWRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348835293 535168190 /nfs/dbraw/zinc/16/81/90/535168190.db2.gz SXRLMYAZRRJSCN-GFCCVEGCSA-N 2 2 244.342 2.783 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000249826920 535540125 /nfs/dbraw/zinc/54/01/25/535540125.db2.gz NPVLGYJWGRMVGX-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000249826924 535541389 /nfs/dbraw/zinc/54/13/89/535541389.db2.gz NPVLGYJWGRMVGX-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932204 535653232 /nfs/dbraw/zinc/65/32/32/535653232.db2.gz MOSJXAXTELZBID-ZDUSSCGKSA-N 2 2 247.386 2.829 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000226419902 536361654 /nfs/dbraw/zinc/36/16/54/536361654.db2.gz JTDXVLMPTVHMQY-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000226419902 536361658 /nfs/dbraw/zinc/36/16/58/536361658.db2.gz JTDXVLMPTVHMQY-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348415841 537905157 /nfs/dbraw/zinc/90/51/57/537905157.db2.gz SFEPGNVDQVEQDR-HUUCEWRRSA-N 2 2 230.355 2.711 20 0 BFADLP Cc1cc(F)ccc1[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854227437 588780830 /nfs/dbraw/zinc/78/08/30/588780830.db2.gz OQGSMCDSLGJRRH-BZUNDVKYSA-N 2 2 248.345 2.537 20 0 BFADLP C[C@H]1CC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000783231864 582950772 /nfs/dbraw/zinc/95/07/72/582950772.db2.gz BAKDUFQKSBEOII-STQMWFEESA-N 2 2 233.359 2.662 20 0 BFADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[C@H]2C)[NH+](C)C)cc1 ZINC000783230454 582950957 /nfs/dbraw/zinc/95/09/57/582950957.db2.gz LGRSNQSTPGRFCJ-KBMXLJTQSA-N 2 2 246.398 2.986 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000394513882 582990381 /nfs/dbraw/zinc/99/03/81/582990381.db2.gz CCUCZRJPJZPSAN-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000394513882 582990383 /nfs/dbraw/zinc/99/03/83/582990383.db2.gz CCUCZRJPJZPSAN-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cc[nH+]c(N)c1C[N@H+](C)Cc1ccccc1 ZINC000893863251 583234413 /nfs/dbraw/zinc/23/44/13/583234413.db2.gz DTDHEQXYWMVONO-UHFFFAOYSA-N 2 2 241.338 2.604 20 0 BFADLP Cc1cc[nH+]c(N)c1C[N@@H+](C)Cc1ccccc1 ZINC000893863251 583234417 /nfs/dbraw/zinc/23/44/17/583234417.db2.gz DTDHEQXYWMVONO-UHFFFAOYSA-N 2 2 241.338 2.604 20 0 BFADLP Cc1cc[nH+]c(N)c1C[N@H+](C)Cc1cccs1 ZINC000893885129 583240765 /nfs/dbraw/zinc/24/07/65/583240765.db2.gz APUGJUJVZVWWMG-UHFFFAOYSA-N 2 2 247.367 2.666 20 0 BFADLP Cc1cc[nH+]c(N)c1C[N@@H+](C)Cc1cccs1 ZINC000893885129 583240766 /nfs/dbraw/zinc/24/07/66/583240766.db2.gz APUGJUJVZVWWMG-UHFFFAOYSA-N 2 2 247.367 2.666 20 0 BFADLP Cc1ccc(CCC[NH2+]Cc2c[nH+]c[nH]2)c(C)c1 ZINC000894153394 583319233 /nfs/dbraw/zinc/31/92/33/583319233.db2.gz WTAACVPCBQXNPL-UHFFFAOYSA-N 2 2 243.354 2.749 20 0 BFADLP Cc1ccc(C(C)(C)C[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000894223537 583382998 /nfs/dbraw/zinc/38/29/98/583382998.db2.gz AWYRBYJKPHFGQF-UHFFFAOYSA-N 2 2 243.354 2.786 20 0 BFADLP Cc1ccc(CCC[N@@H+]2CC[C@@H](CF)C2)c[nH+]1 ZINC000895572597 583692262 /nfs/dbraw/zinc/69/22/62/583692262.db2.gz JVWORSIYJDBRRI-AWEZNQCLSA-N 2 2 236.334 2.614 20 0 BFADLP Cc1ccc(CCC[N@H+]2CC[C@@H](CF)C2)c[nH+]1 ZINC000895572597 583692263 /nfs/dbraw/zinc/69/22/63/583692263.db2.gz JVWORSIYJDBRRI-AWEZNQCLSA-N 2 2 236.334 2.614 20 0 BFADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccoc2)CC1 ZINC000895827660 583733290 /nfs/dbraw/zinc/73/32/90/583733290.db2.gz OHDZMHNDAINYTN-UHFFFAOYSA-N 2 2 248.370 2.730 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H]1C)Cc1ccccc1 ZINC000896557423 583812888 /nfs/dbraw/zinc/81/28/88/583812888.db2.gz HSMCRFFIKXXHHZ-DZKIICNBSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H]1C)Cc1ccccc1 ZINC000896557423 583812891 /nfs/dbraw/zinc/81/28/91/583812891.db2.gz HSMCRFFIKXXHHZ-DZKIICNBSA-N 2 2 246.398 2.547 20 0 BFADLP CCCCC1([NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000897935448 584061914 /nfs/dbraw/zinc/06/19/14/584061914.db2.gz AGPUPQFVJYGZTN-UHFFFAOYSA-N 2 2 221.348 2.541 20 0 BFADLP CCCCC1([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000897935519 584062237 /nfs/dbraw/zinc/06/22/37/584062237.db2.gz CIFHGXUGRYOKBR-UHFFFAOYSA-N 2 2 233.359 2.642 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)[nH+]1 ZINC000897955785 584065138 /nfs/dbraw/zinc/06/51/38/584065138.db2.gz YLTBZRPARNAFNI-MRVWCRGKSA-N 2 2 241.338 2.613 20 0 BFADLP Cc1ccc(C[NH+]2CCC([NH2+]C3CCC3)CC2)o1 ZINC000897985285 584072191 /nfs/dbraw/zinc/07/21/91/584072191.db2.gz LPYWFRZYMZKWST-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000898034057 584078242 /nfs/dbraw/zinc/07/82/42/584078242.db2.gz HHEJZNKXACRNGY-ZDUSSCGKSA-N 2 2 236.403 2.641 20 0 BFADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000898034057 584078243 /nfs/dbraw/zinc/07/82/43/584078243.db2.gz HHEJZNKXACRNGY-ZDUSSCGKSA-N 2 2 236.403 2.641 20 0 BFADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000902435481 584596803 /nfs/dbraw/zinc/59/68/03/584596803.db2.gz UBXTZOVWPOKKTH-QLFBSQMISA-N 2 2 242.366 2.533 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000902442407 584597583 /nfs/dbraw/zinc/59/75/83/584597583.db2.gz BWVFAQIXXTUDRR-UONOGXRCSA-N 2 2 232.371 2.725 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902472536 584601543 /nfs/dbraw/zinc/60/15/43/584601543.db2.gz CPZRHWPOOVEOGV-PMOUVXMZSA-N 2 2 230.355 2.539 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1C ZINC000902477813 584603448 /nfs/dbraw/zinc/60/34/48/584603448.db2.gz SJZGXUKVLKDFKP-DMRZNYOFSA-N 2 2 244.382 2.847 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902446854 584604082 /nfs/dbraw/zinc/60/40/82/584604082.db2.gz VOTSFYBVTHRRBC-YIKOMLBNSA-N 2 2 232.371 2.635 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448166 584604890 /nfs/dbraw/zinc/60/48/90/584604890.db2.gz DFYFDGMKUWRDCT-BYCMXARLSA-N 2 2 244.382 2.508 20 0 BFADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000902449403 584606174 /nfs/dbraw/zinc/60/61/74/584606174.db2.gz OAOHXYFSJLAVMF-HUUCEWRRSA-N 2 2 244.382 2.725 20 0 BFADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464706 584612986 /nfs/dbraw/zinc/61/29/86/584612986.db2.gz BTAGLBRVFVHBPW-IXOXFDKPSA-N 2 2 248.395 2.608 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902467250 584614802 /nfs/dbraw/zinc/61/48/02/584614802.db2.gz OCXRAQRCMOLDDN-SLBVQIDZSA-N 2 2 244.382 2.847 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C)cc1 ZINC000902469337 584615423 /nfs/dbraw/zinc/61/54/23/584615423.db2.gz XDEUDSMPZFKUJP-CAOSSQGBSA-N 2 2 244.382 2.929 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cccc(O)c1 ZINC000902481772 584623663 /nfs/dbraw/zinc/62/36/63/584623663.db2.gz GZOQRZLVHJNTPL-GXTWGEPZSA-N 2 2 248.370 2.575 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cccs1 ZINC000902486505 584626121 /nfs/dbraw/zinc/62/61/21/584626121.db2.gz FPDJIJALKRBRQB-NEPJUHHUSA-N 2 2 238.400 2.931 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902725138 584661017 /nfs/dbraw/zinc/66/10/17/584661017.db2.gz QMFMFQXPSIMUDH-KCQAQPDRSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902725138 584661018 /nfs/dbraw/zinc/66/10/18/584661018.db2.gz QMFMFQXPSIMUDH-KCQAQPDRSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+](CC[NH2+]C1C[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000902786178 584668484 /nfs/dbraw/zinc/66/84/84/584668484.db2.gz LEZKOXFFLGXPIS-CHWSQXEVSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+]C1C[C@H]2CCC[C@@H]2C1)C1CC1 ZINC000902786178 584668485 /nfs/dbraw/zinc/66/84/85/584668485.db2.gz LEZKOXFFLGXPIS-CHWSQXEVSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[N@H+](C)C1CC1 ZINC000902794520 584674057 /nfs/dbraw/zinc/67/40/57/584674057.db2.gz XCKDSGNTGMXYKM-YIYPIFLZSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[N@@H+](C)C1CC1 ZINC000902794520 584674060 /nfs/dbraw/zinc/67/40/60/584674060.db2.gz XCKDSGNTGMXYKM-YIYPIFLZSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H]2C1)[N@H+](C)C1CC1 ZINC000902794519 584674254 /nfs/dbraw/zinc/67/42/54/584674254.db2.gz XCKDSGNTGMXYKM-JHJVBQTASA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+]C1C[C@H]2CCC[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000902794519 584674255 /nfs/dbraw/zinc/67/42/55/584674255.db2.gz XCKDSGNTGMXYKM-JHJVBQTASA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903304184 584742920 /nfs/dbraw/zinc/74/29/20/584742920.db2.gz ZNTBPFAWNTVXPP-MELADBBJSA-N 2 2 224.392 2.804 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903304184 584742922 /nfs/dbraw/zinc/74/29/22/584742922.db2.gz ZNTBPFAWNTVXPP-MELADBBJSA-N 2 2 224.392 2.804 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300810 584743757 /nfs/dbraw/zinc/74/37/57/584743757.db2.gz KVPOGGRBZDPWSU-AVRGHOLYSA-N 2 2 244.382 2.602 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300810 584743758 /nfs/dbraw/zinc/74/37/58/584743758.db2.gz KVPOGGRBZDPWSU-AVRGHOLYSA-N 2 2 244.382 2.602 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903302458 584745540 /nfs/dbraw/zinc/74/55/40/584745540.db2.gz AMRWLSWZSPBLRG-MAZHCROVSA-N 2 2 244.382 2.665 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903302458 584745541 /nfs/dbraw/zinc/74/55/41/584745541.db2.gz AMRWLSWZSPBLRG-MAZHCROVSA-N 2 2 244.382 2.665 20 0 BFADLP CCCCC1([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000903311883 584747954 /nfs/dbraw/zinc/74/79/54/584747954.db2.gz SAMYXJHNROGHHS-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP CCCCC1([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000903311883 584747955 /nfs/dbraw/zinc/74/79/55/584747955.db2.gz SAMYXJHNROGHHS-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP CCCCC1([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000903311881 584748056 /nfs/dbraw/zinc/74/80/56/584748056.db2.gz SAMYXJHNROGHHS-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP CCCCC1([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000903311881 584748057 /nfs/dbraw/zinc/74/80/57/584748057.db2.gz SAMYXJHNROGHHS-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440121 584763193 /nfs/dbraw/zinc/76/31/93/584763193.db2.gz UALYWBBHCIFYID-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](C)[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440121 584763194 /nfs/dbraw/zinc/76/31/94/584763194.db2.gz UALYWBBHCIFYID-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP FCc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903770323 584798279 /nfs/dbraw/zinc/79/82/79/584798279.db2.gz WWORHOIITGSRAG-AWEZNQCLSA-N 2 2 248.345 2.530 20 0 BFADLP CC(F)(F)CCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903806669 584802718 /nfs/dbraw/zinc/80/27/18/584802718.db2.gz ZRHSEXQGGOZKTF-YPMHNXCESA-N 2 2 246.345 2.625 20 0 BFADLP CC(F)(F)CCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903806669 584802719 /nfs/dbraw/zinc/80/27/19/584802719.db2.gz ZRHSEXQGGOZKTF-YPMHNXCESA-N 2 2 246.345 2.625 20 0 BFADLP CCc1ccccc1C[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869912 584814565 /nfs/dbraw/zinc/81/45/65/584814565.db2.gz KRRZNCWQUFGIEU-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1ccccc1C[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903869912 584814567 /nfs/dbraw/zinc/81/45/67/584814567.db2.gz KRRZNCWQUFGIEU-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)[C@H](C)C1 ZINC000903949888 584830539 /nfs/dbraw/zinc/83/05/39/584830539.db2.gz GVYODWAOWDARCL-JTNHKYCSSA-N 2 2 233.359 2.578 20 0 BFADLP Cc1cccc(C[NH2+]Cc2cc(N)cc[nH+]2)c1C ZINC000903950179 584830590 /nfs/dbraw/zinc/83/05/90/584830590.db2.gz JROSDLNCOZRSJJ-UHFFFAOYSA-N 2 2 241.338 2.570 20 0 BFADLP CCCCC[C@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950075 584830601 /nfs/dbraw/zinc/83/06/01/584830601.db2.gz HUSZIJMCSDHCOO-NSHDSACASA-N 2 2 221.348 2.722 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903951255 584830883 /nfs/dbraw/zinc/83/08/83/584830883.db2.gz VGTULUYCNAZCCX-FZMZJTMJSA-N 2 2 247.386 2.968 20 0 BFADLP Nc1cc[nH+]c(C[NH2+][C@H]2CCCC[C@H]2C2CC2)c1 ZINC000903950439 584830943 /nfs/dbraw/zinc/83/09/43/584830943.db2.gz NVTQNYBEGQIXHY-GJZGRUSLSA-N 2 2 245.370 2.722 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950981 584831106 /nfs/dbraw/zinc/83/11/06/584831106.db2.gz UWJPNTAODNXWBD-CHWSQXEVSA-N 2 2 247.386 2.970 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)C[C@@H]1C ZINC000903954102 584832297 /nfs/dbraw/zinc/83/22/97/584832297.db2.gz QCEQUOXSKQVKCO-NTZNESFSSA-N 2 2 233.359 2.578 20 0 BFADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904299658 584860613 /nfs/dbraw/zinc/86/06/13/584860613.db2.gz LAOGFANKHRXLIF-QMMMGPOBSA-N 2 2 246.276 2.542 20 0 BFADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904299658 584860614 /nfs/dbraw/zinc/86/06/14/584860614.db2.gz LAOGFANKHRXLIF-QMMMGPOBSA-N 2 2 246.276 2.542 20 0 BFADLP C[NH2+]c1ccc(NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000904380505 584876835 /nfs/dbraw/zinc/87/68/35/584876835.db2.gz MWZCWDHBLROWCY-AWEZNQCLSA-N 2 2 233.359 2.530 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C1)CC1CCCCC1 ZINC000757845874 585345819 /nfs/dbraw/zinc/34/58/19/585345819.db2.gz CBEHGVZFIHGQPX-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C1)CC1CCCCC1 ZINC000757845874 585345820 /nfs/dbraw/zinc/34/58/20/585345820.db2.gz CBEHGVZFIHGQPX-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000764618148 585469142 /nfs/dbraw/zinc/46/91/42/585469142.db2.gz ISIFWBLEXDLQIN-MRXNPFEDSA-N 2 2 244.382 2.668 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000766266790 585499936 /nfs/dbraw/zinc/49/99/36/585499936.db2.gz BNMPZSVFQJJHKN-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000766266790 585499937 /nfs/dbraw/zinc/49/99/37/585499937.db2.gz BNMPZSVFQJJHKN-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000771390099 585593490 /nfs/dbraw/zinc/59/34/90/585593490.db2.gz VLQWRROIVNWGJY-OAGGEKHMSA-N 2 2 244.382 2.616 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000771390099 585593491 /nfs/dbraw/zinc/59/34/91/585593491.db2.gz VLQWRROIVNWGJY-OAGGEKHMSA-N 2 2 244.382 2.616 20 0 BFADLP C[C@@H](C1CC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000782192967 585811545 /nfs/dbraw/zinc/81/15/45/585811545.db2.gz XUJOFZKDLSABMZ-MBNYWOFBSA-N 2 2 233.359 2.565 20 0 BFADLP C[C@@H](C1CC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000782192967 585811546 /nfs/dbraw/zinc/81/15/46/585811546.db2.gz XUJOFZKDLSABMZ-MBNYWOFBSA-N 2 2 233.359 2.565 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000788986921 585932748 /nfs/dbraw/zinc/93/27/48/585932748.db2.gz IAQVDHCRGFMYEF-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000788986921 585932749 /nfs/dbraw/zinc/93/27/49/585932749.db2.gz IAQVDHCRGFMYEF-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000793522286 586021578 /nfs/dbraw/zinc/02/15/78/586021578.db2.gz FKUMFCIRJFGWGU-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000793522286 586021579 /nfs/dbraw/zinc/02/15/79/586021579.db2.gz FKUMFCIRJFGWGU-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccccc1[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CC1 ZINC000796447733 586103214 /nfs/dbraw/zinc/10/32/14/586103214.db2.gz BYKPWHJIBWMDKU-OAHLLOKOSA-N 2 2 241.338 2.959 20 0 BFADLP FC1(F)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000796543537 586106987 /nfs/dbraw/zinc/10/69/87/586106987.db2.gz XFBLPWWZELFUCW-UHFFFAOYSA-N 2 2 246.345 2.594 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)[C@@H]1C ZINC000816646684 586749320 /nfs/dbraw/zinc/74/93/20/586749320.db2.gz HOCICMDHELZUMY-OLZOCXBDSA-N 2 2 218.344 2.663 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000816646684 586749322 /nfs/dbraw/zinc/74/93/22/586749322.db2.gz HOCICMDHELZUMY-OLZOCXBDSA-N 2 2 218.344 2.663 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000817894801 586833962 /nfs/dbraw/zinc/83/39/62/586833962.db2.gz OUEKPLYVXCJTEH-IJLUTSLNSA-N 2 2 238.400 2.848 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1csc2ccccc12 ZINC000817901367 586836053 /nfs/dbraw/zinc/83/60/53/586836053.db2.gz ZPOGYZLDHCPYBV-WDEREUQCSA-N 2 2 246.379 2.914 20 0 BFADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000817940776 586845334 /nfs/dbraw/zinc/84/53/34/586845334.db2.gz KPBRBNFGCQPNMP-WCQYABFASA-N 2 2 236.334 2.537 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C=CCC1 ZINC000826941656 587366393 /nfs/dbraw/zinc/36/63/93/587366393.db2.gz JOWTWDGQXLBVHL-CQSZACIVSA-N 2 2 216.328 2.631 20 0 BFADLP c1cn(CCC[NH+]2CCCCCCCC2)c[nH+]1 ZINC000831937560 587637755 /nfs/dbraw/zinc/63/77/55/587637755.db2.gz UWPWXWCSVSMCLK-UHFFFAOYSA-N 2 2 235.375 2.929 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccncc1 ZINC000834606991 587760468 /nfs/dbraw/zinc/76/04/68/587760468.db2.gz MZWAOGXBRBYGCT-ZFWWWQNUSA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccncc1 ZINC000834606991 587760469 /nfs/dbraw/zinc/76/04/69/587760469.db2.gz MZWAOGXBRBYGCT-ZFWWWQNUSA-N 2 2 247.386 2.607 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000834607485 587760668 /nfs/dbraw/zinc/76/06/68/587760668.db2.gz XTVRSVRRMOKKOK-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000834607485 587760669 /nfs/dbraw/zinc/76/06/69/587760669.db2.gz XTVRSVRRMOKKOK-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)(C)CC[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841053796 587939739 /nfs/dbraw/zinc/93/97/39/587939739.db2.gz BVJOXCHIDMCKBM-UHFFFAOYSA-N 2 2 236.359 2.872 20 0 BFADLP C[C@H]([NH2+]c1ccc(OCC[NH3+])cc1)C1CCC1 ZINC000841055867 587940488 /nfs/dbraw/zinc/94/04/88/587940488.db2.gz YQQHVGWJVVTMPA-NSHDSACASA-N 2 2 234.343 2.625 20 0 BFADLP C[C@@H](CSC(C)(C)C)[NH2+]CC1([NH+](C)C)CC1 ZINC000841762007 587974497 /nfs/dbraw/zinc/97/44/97/587974497.db2.gz IXASIUBGSZQZFM-NSHDSACASA-N 2 2 244.448 2.590 20 0 BFADLP Cn1c[nH+]cc1CCC[NH+]1CCCCCCC1 ZINC000846761235 588284350 /nfs/dbraw/zinc/28/43/50/588284350.db2.gz BIWJMIDWMVRAPJ-UHFFFAOYSA-N 2 2 235.375 2.619 20 0 BFADLP C[NH2+]CC[N@H+](C)Cc1cccc(C2CCCC2)c1 ZINC000849350358 588474621 /nfs/dbraw/zinc/47/46/21/588474621.db2.gz OBGCPZWQEXTMKR-UHFFFAOYSA-N 2 2 246.398 2.995 20 0 BFADLP C[NH2+]CC[N@@H+](C)Cc1cccc(C2CCCC2)c1 ZINC000849350358 588474623 /nfs/dbraw/zinc/47/46/23/588474623.db2.gz OBGCPZWQEXTMKR-UHFFFAOYSA-N 2 2 246.398 2.995 20 0 BFADLP CCc1nc(C(C)C)ccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC000863569089 589299935 /nfs/dbraw/zinc/29/99/35/589299935.db2.gz RHJUWOFBIOFYEM-LBPRGKRZSA-N 2 2 249.402 2.546 20 0 BFADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000863569089 589299936 /nfs/dbraw/zinc/29/99/36/589299936.db2.gz RHJUWOFBIOFYEM-LBPRGKRZSA-N 2 2 249.402 2.546 20 0 BFADLP C[N@H+](CC1CC[NH2+]CC1)c1cccc2cc[nH]c21 ZINC000866685662 589511693 /nfs/dbraw/zinc/51/16/93/589511693.db2.gz SYWDWVVNTMRNCS-UHFFFAOYSA-N 2 2 243.354 2.604 20 0 BFADLP C[N@@H+](CC1CC[NH2+]CC1)c1cccc2cc[nH]c21 ZINC000866685662 589511694 /nfs/dbraw/zinc/51/16/94/589511694.db2.gz SYWDWVVNTMRNCS-UHFFFAOYSA-N 2 2 243.354 2.604 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725060 589516315 /nfs/dbraw/zinc/51/63/15/589516315.db2.gz PFODQAZOTLHWPF-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866725060 589516317 /nfs/dbraw/zinc/51/63/17/589516317.db2.gz PFODQAZOTLHWPF-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866726435 589516395 /nfs/dbraw/zinc/51/63/95/589516395.db2.gz WRNSJIQMJXSVAU-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866726435 589516396 /nfs/dbraw/zinc/51/63/96/589516396.db2.gz WRNSJIQMJXSVAU-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1cc(C)c(CO[NH+]=C(N)C(C)C)c(C)[nH+]1 ZINC000871741446 589803019 /nfs/dbraw/zinc/80/30/19/589803019.db2.gz SWWNZUPHXWPEET-UHFFFAOYSA-N 2 2 235.331 2.661 20 0 BFADLP C(=C\c1ccccc1)\C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230614 590001605 /nfs/dbraw/zinc/00/16/05/590001605.db2.gz VAYHKSLVXWODKV-RQTGCPSESA-N 2 2 242.366 2.574 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229945 590001731 /nfs/dbraw/zinc/00/17/31/590001731.db2.gz JFYZYVLTDMNHLE-HOTGVXAUSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC000873229438 590001755 /nfs/dbraw/zinc/00/17/55/590001755.db2.gz YTURFVIFZFWVBD-HZPDHXFCSA-N 2 2 244.382 2.678 20 0 BFADLP C(=C\c1ccccc1)\C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230613 590002011 /nfs/dbraw/zinc/00/20/11/590002011.db2.gz VAYHKSLVXWODKV-QBGJIXDNSA-N 2 2 242.366 2.574 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccoc1 ZINC000873236065 590004189 /nfs/dbraw/zinc/00/41/89/590004189.db2.gz WXDFPLCXALIGBN-YPMHNXCESA-N 2 2 236.359 2.708 20 0 BFADLP CCCCC[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000020125999 590076298 /nfs/dbraw/zinc/07/62/98/590076298.db2.gz YCCOQASMOLANIA-GFCCVEGCSA-N 2 2 214.397 2.885 20 0 BFADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccoc2)CC1 ZINC000877673193 590390382 /nfs/dbraw/zinc/39/03/82/590390382.db2.gz BMCKWKMUEAYLNI-UHFFFAOYSA-N 2 2 248.370 2.730 20 0 BFADLP C(CC1CC1)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000878036713 590473783 /nfs/dbraw/zinc/47/37/83/590473783.db2.gz PWZZDQOAANUTHJ-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C(CC1CC1)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000878036713 590473786 /nfs/dbraw/zinc/47/37/86/590473786.db2.gz PWZZDQOAANUTHJ-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000878036979 590477068 /nfs/dbraw/zinc/47/70/68/590477068.db2.gz UIIQDUOPYXLIRU-JZIMQPMSSA-N 2 2 234.387 2.679 20 0 BFADLP C=C/C=C\CC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000878036979 590477070 /nfs/dbraw/zinc/47/70/70/590477070.db2.gz UIIQDUOPYXLIRU-JZIMQPMSSA-N 2 2 234.387 2.679 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878059461 590484483 /nfs/dbraw/zinc/48/44/83/590484483.db2.gz KNRKHFMHPCJTAB-VQTKUKTRSA-N 2 2 231.343 2.652 20 0 BFADLP C=C/C=C\CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878059461 590484485 /nfs/dbraw/zinc/48/44/85/590484485.db2.gz KNRKHFMHPCJTAB-VQTKUKTRSA-N 2 2 231.343 2.652 20 0 BFADLP C=C/C=C\CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172795 590515231 /nfs/dbraw/zinc/51/52/31/590515231.db2.gz MIHUKAPNRGWUGI-ARJAWSKDSA-N 2 2 231.343 2.721 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCCC3CC3)C2)[nH]1 ZINC000878252058 590529528 /nfs/dbraw/zinc/52/95/28/590529528.db2.gz AQUPWUDQDFHHAM-CYBMUJFWSA-N 2 2 233.359 2.779 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCCC3CC3)C2)[nH]1 ZINC000878252058 590529529 /nfs/dbraw/zinc/52/95/29/590529529.db2.gz AQUPWUDQDFHHAM-CYBMUJFWSA-N 2 2 233.359 2.779 20 0 BFADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3C=CCCCCC3)CC[C@@H]21 ZINC000879583717 590823457 /nfs/dbraw/zinc/82/34/57/590823457.db2.gz ZLEGYQLNRWVTEW-OAGGEKHMSA-N 2 2 248.414 2.901 20 0 BFADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3C=CCCCCC3)CC[C@@H]21 ZINC000879583717 590823458 /nfs/dbraw/zinc/82/34/58/590823458.db2.gz ZLEGYQLNRWVTEW-OAGGEKHMSA-N 2 2 248.414 2.901 20 0 BFADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3C=CCCCCC3)CC[C@@H]21 ZINC000879583717 590823461 /nfs/dbraw/zinc/82/34/61/590823461.db2.gz ZLEGYQLNRWVTEW-OAGGEKHMSA-N 2 2 248.414 2.901 20 0 BFADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3C=CCCCCC3)CC[C@@H]21 ZINC000879583717 590823464 /nfs/dbraw/zinc/82/34/64/590823464.db2.gz ZLEGYQLNRWVTEW-OAGGEKHMSA-N 2 2 248.414 2.901 20 0 BFADLP CCC1(CC)CCC[N@@H+]1CCn1cc[nH+]c1C ZINC000880093894 590922754 /nfs/dbraw/zinc/92/27/54/590922754.db2.gz OEBIPRGTVMPYLS-UHFFFAOYSA-N 2 2 235.375 2.846 20 0 BFADLP CCC1(CC)CCC[N@H+]1CCn1cc[nH+]c1C ZINC000880093894 590922757 /nfs/dbraw/zinc/92/27/57/590922757.db2.gz OEBIPRGTVMPYLS-UHFFFAOYSA-N 2 2 235.375 2.846 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880135825 590937784 /nfs/dbraw/zinc/93/77/84/590937784.db2.gz ATNCJARVBQANHD-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880135825 590937786 /nfs/dbraw/zinc/93/77/86/590937786.db2.gz ATNCJARVBQANHD-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880135825 590937789 /nfs/dbraw/zinc/93/77/89/590937789.db2.gz ATNCJARVBQANHD-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880135825 590937792 /nfs/dbraw/zinc/93/77/92/590937792.db2.gz ATNCJARVBQANHD-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC2(CCC2)C1 ZINC000880141726 590941097 /nfs/dbraw/zinc/94/10/97/590941097.db2.gz SVNJJEFZQCZNLO-LSDHHAIUSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC2(CCC2)C1 ZINC000880141726 590941099 /nfs/dbraw/zinc/94/10/99/590941099.db2.gz SVNJJEFZQCZNLO-LSDHHAIUSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC2(CCC2)C1 ZINC000880141726 590941101 /nfs/dbraw/zinc/94/11/01/590941101.db2.gz SVNJJEFZQCZNLO-LSDHHAIUSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC2(CCC2)C1 ZINC000880141726 590941103 /nfs/dbraw/zinc/94/11/03/590941103.db2.gz SVNJJEFZQCZNLO-LSDHHAIUSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC2(CCC2)C1 ZINC000880141725 590941808 /nfs/dbraw/zinc/94/18/08/590941808.db2.gz SVNJJEFZQCZNLO-HUUCEWRRSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC2(CCC2)C1 ZINC000880141725 590941809 /nfs/dbraw/zinc/94/18/09/590941809.db2.gz SVNJJEFZQCZNLO-HUUCEWRRSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC2(CCC2)C1 ZINC000880141725 590941810 /nfs/dbraw/zinc/94/18/10/590941810.db2.gz SVNJJEFZQCZNLO-HUUCEWRRSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC2(CCC2)C1 ZINC000880141725 590941811 /nfs/dbraw/zinc/94/18/11/590941811.db2.gz SVNJJEFZQCZNLO-HUUCEWRRSA-N 2 2 248.414 2.735 20 0 BFADLP c1cn(C[C@@H]([NH2+]CC2CC2)c2ccccc2)c[nH+]1 ZINC000880571924 591099174 /nfs/dbraw/zinc/09/91/74/591099174.db2.gz VWIFMJBLZDYQSZ-OAHLLOKOSA-N 2 2 241.338 2.624 20 0 BFADLP CCCC[C@H](CC)CC[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000128729245 591156033 /nfs/dbraw/zinc/15/60/33/591156033.db2.gz XAGRTKMZDDFYJV-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@H](CC)CC[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000128729245 591156037 /nfs/dbraw/zinc/15/60/37/591156037.db2.gz XAGRTKMZDDFYJV-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@@H](CC)CC[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000128728992 591156741 /nfs/dbraw/zinc/15/67/41/591156741.db2.gz XAGRTKMZDDFYJV-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@@H](CC)CC[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000128728992 591156743 /nfs/dbraw/zinc/15/67/43/591156743.db2.gz XAGRTKMZDDFYJV-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCCCCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000130389180 591461462 /nfs/dbraw/zinc/46/14/62/591461462.db2.gz AYTNCLHYTUTJQP-UHFFFAOYSA-N 2 2 223.364 2.785 20 0 BFADLP CCCCCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000130389180 591461457 /nfs/dbraw/zinc/46/14/57/591461457.db2.gz AYTNCLHYTUTJQP-UHFFFAOYSA-N 2 2 223.364 2.785 20 0 BFADLP Cc1cc[nH+]c(NCc2[nH]cc(C(C)C)[nH+]2)c1 ZINC000882906815 591473267 /nfs/dbraw/zinc/47/32/67/591473267.db2.gz WZPGNRNXBOKYIQ-UHFFFAOYSA-N 2 2 230.315 2.849 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)Cn1cc[nH+]c1 ZINC000882934316 591477075 /nfs/dbraw/zinc/47/70/75/591477075.db2.gz FEDJBWYKGUQRIZ-KBXIAJHMSA-N 2 2 247.386 2.688 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883188871 591566890 /nfs/dbraw/zinc/56/68/90/591566890.db2.gz SCAIYRWEIGKMOH-GJZGRUSLSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883188871 591566896 /nfs/dbraw/zinc/56/68/96/591566896.db2.gz SCAIYRWEIGKMOH-GJZGRUSLSA-N 2 2 248.414 2.783 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCC3(CC3)C1)CC2 ZINC000883217982 591576518 /nfs/dbraw/zinc/57/65/18/591576518.db2.gz SAOGZTXVNZSEGA-QWHCGFSZSA-N 2 2 245.370 2.510 20 0 BFADLP CCC[NH+]1CCC(Nc2c[nH+]c(C)c(C)c2)CC1 ZINC000883341448 591620205 /nfs/dbraw/zinc/62/02/05/591620205.db2.gz QGCSTPZNUXCFNS-UHFFFAOYSA-N 2 2 247.386 2.985 20 0 BFADLP Cc1cc(N[C@@H](C)C2CC[NH+](C)CC2)c[nH+]c1C ZINC000883342205 591621854 /nfs/dbraw/zinc/62/18/54/591621854.db2.gz OEYQMGIURPHLDO-ZDUSSCGKSA-N 2 2 247.386 2.841 20 0 BFADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@H](C)CCC=C(C)C ZINC000883354466 591624815 /nfs/dbraw/zinc/62/48/15/591624815.db2.gz VRBGKSDSLUJSQE-KGLIPLIRSA-N 2 2 224.392 2.805 20 0 BFADLP CC[N@H+]1CC[C@H]1C[NH2+][C@H](C)CCC=C(C)C ZINC000883354466 591624816 /nfs/dbraw/zinc/62/48/16/591624816.db2.gz VRBGKSDSLUJSQE-KGLIPLIRSA-N 2 2 224.392 2.805 20 0 BFADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000883356523 591627398 /nfs/dbraw/zinc/62/73/98/591627398.db2.gz QGSKALVFNUIHMI-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP CC[N@H+]1CC[C@H]1C[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000883356523 591627401 /nfs/dbraw/zinc/62/74/01/591627401.db2.gz QGSKALVFNUIHMI-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP CCC(F)(F)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000883438898 591666809 /nfs/dbraw/zinc/66/68/09/591666809.db2.gz FLPTXPYJCFXMHT-GFCCVEGCSA-N 2 2 248.361 2.729 20 0 BFADLP CCC(F)(F)C[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000883438898 591666812 /nfs/dbraw/zinc/66/68/12/591666812.db2.gz FLPTXPYJCFXMHT-GFCCVEGCSA-N 2 2 248.361 2.729 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000132486857 591713568 /nfs/dbraw/zinc/71/35/68/591713568.db2.gz ICDIMQUXGHJWQZ-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC000885943722 592111619 /nfs/dbraw/zinc/11/16/19/592111619.db2.gz AVCVMBMUPVRPAA-OMVNSRBRSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC000885943722 592111620 /nfs/dbraw/zinc/11/16/20/592111620.db2.gz AVCVMBMUPVRPAA-OMVNSRBRSA-N 2 2 248.345 2.523 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2(C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000886824823 592347306 /nfs/dbraw/zinc/34/73/06/592347306.db2.gz HOFMTEVDMMAZSY-AAEUAGOBSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2(C3CC3)CCC2)C[N@H+]1C1CC1 ZINC000886824823 592347310 /nfs/dbraw/zinc/34/73/10/592347310.db2.gz HOFMTEVDMMAZSY-AAEUAGOBSA-N 2 2 234.387 2.534 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000257736487 634485746 /nfs/dbraw/zinc/48/57/46/634485746.db2.gz YCYAZCDWSUOXIU-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000257736487 634485748 /nfs/dbraw/zinc/48/57/48/634485748.db2.gz YCYAZCDWSUOXIU-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP c1ccc(C2CC2)c(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000094357584 634608523 /nfs/dbraw/zinc/60/85/23/634608523.db2.gz ICJHIXAHNXIJIC-UHFFFAOYSA-N 2 2 244.382 2.749 20 0 BFADLP Cc1ccc([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000091544353 632069151 /nfs/dbraw/zinc/06/91/51/632069151.db2.gz VWJZDMAIDIYVOV-KGLIPLIRSA-N 2 2 232.371 2.867 20 0 BFADLP Cc1ccc([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c(C)c1 ZINC000091544353 632069158 /nfs/dbraw/zinc/06/91/58/632069158.db2.gz VWJZDMAIDIYVOV-KGLIPLIRSA-N 2 2 232.371 2.867 20 0 BFADLP CC(C)(C)C1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000310357224 635707151 /nfs/dbraw/zinc/70/71/51/635707151.db2.gz IPJLFIATVZEZDB-LLVKDONJSA-N 2 2 248.361 2.727 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000309663774 632627458 /nfs/dbraw/zinc/62/74/58/632627458.db2.gz GWBVQJFMMCMWBL-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000309663774 632627463 /nfs/dbraw/zinc/62/74/63/632627463.db2.gz GWBVQJFMMCMWBL-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP [NH3+]CCC[N@H+](C/C=C\Cl)Cc1ccccc1 ZINC000309101113 632639819 /nfs/dbraw/zinc/63/98/19/632639819.db2.gz DFKAMYXTWUTSSL-YWEYNIOJSA-N 2 2 238.762 2.590 20 0 BFADLP [NH3+]CCC[N@@H+](C/C=C\Cl)Cc1ccccc1 ZINC000309101113 632639825 /nfs/dbraw/zinc/63/98/25/632639825.db2.gz DFKAMYXTWUTSSL-YWEYNIOJSA-N 2 2 238.762 2.590 20 0 BFADLP CC[N@@H+](Cc1cccs1)C[C@H]([NH3+])CC(F)F ZINC000309403333 633016965 /nfs/dbraw/zinc/01/69/65/633016965.db2.gz HPTQRSGLHJNGIR-SECBINFHSA-N 2 2 248.342 2.553 20 0 BFADLP CC[N@H+](Cc1cccs1)C[C@H]([NH3+])CC(F)F ZINC000309403333 633016969 /nfs/dbraw/zinc/01/69/69/633016969.db2.gz HPTQRSGLHJNGIR-SECBINFHSA-N 2 2 248.342 2.553 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC1(C)C)[NH+]1CCCCC1 ZINC000309449410 633082843 /nfs/dbraw/zinc/08/28/43/633082843.db2.gz QKXUSJDTEYROFL-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000309464753 633103216 /nfs/dbraw/zinc/10/32/16/633103216.db2.gz VNCMAFJJNUCFFE-GWCFXTLKSA-N 2 2 224.323 2.556 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000309464753 633103219 /nfs/dbraw/zinc/10/32/19/633103219.db2.gz VNCMAFJJNUCFFE-GWCFXTLKSA-N 2 2 224.323 2.556 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]CC1(C)CCC1 ZINC000336776202 636045563 /nfs/dbraw/zinc/04/55/63/636045563.db2.gz FBWXURSLWRJYCY-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+]CC1(C)CCC1 ZINC000336776202 636045567 /nfs/dbraw/zinc/04/55/67/636045567.db2.gz FBWXURSLWRJYCY-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP [NH3+][C@@H](C[NH2+]C1CCCCCC1)c1ccccc1 ZINC000040397452 633749694 /nfs/dbraw/zinc/74/96/94/633749694.db2.gz AFIVVAAPIPVXOH-HNNXBMFYSA-N 2 2 232.371 2.999 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CCC[C@H]2C)CC1 ZINC000309818076 633781201 /nfs/dbraw/zinc/78/12/01/633781201.db2.gz VRORWHAOLTYAKQ-KGLIPLIRSA-N 2 2 222.376 2.559 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)CC1 ZINC000309818076 633781207 /nfs/dbraw/zinc/78/12/07/633781207.db2.gz VRORWHAOLTYAKQ-KGLIPLIRSA-N 2 2 222.376 2.559 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)CCc1ccc2ccccc2c1 ZINC000258683877 635187701 /nfs/dbraw/zinc/18/77/01/635187701.db2.gz FCZYKKFMVPDVCL-ZDUSSCGKSA-N 2 2 242.366 2.661 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000258683877 635187705 /nfs/dbraw/zinc/18/77/05/635187705.db2.gz FCZYKKFMVPDVCL-ZDUSSCGKSA-N 2 2 242.366 2.661 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)[C@@H]1C[C@@H]1C ZINC000322207540 636817963 /nfs/dbraw/zinc/81/79/63/636817963.db2.gz SPRSNADSVFLBKO-XQLPTFJDSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027519 636950566 /nfs/dbraw/zinc/95/05/66/636950566.db2.gz WOYOGARDKDVWRJ-OAHLLOKOSA-N 2 2 246.398 2.907 20 0 BFADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027519 636950570 /nfs/dbraw/zinc/95/05/70/636950570.db2.gz WOYOGARDKDVWRJ-OAHLLOKOSA-N 2 2 246.398 2.907 20 0 BFADLP CCCC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000906534476 638200797 /nfs/dbraw/zinc/20/07/97/638200797.db2.gz QNQMEEQNDUJVMK-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP CCCC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000906534476 638200803 /nfs/dbraw/zinc/20/08/03/638200803.db2.gz QNQMEEQNDUJVMK-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP CC(C)CCC[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000165225537 640550591 /nfs/dbraw/zinc/55/05/91/640550591.db2.gz GZFYEUFBRFTJCW-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CCCCC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000226791129 640792785 /nfs/dbraw/zinc/79/27/85/640792785.db2.gz RDDZINFRNZFYHD-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCCCC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000226791129 640792789 /nfs/dbraw/zinc/79/27/89/640792789.db2.gz RDDZINFRNZFYHD-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccc2ccccc2c1 ZINC000231360770 641166817 /nfs/dbraw/zinc/16/68/17/641166817.db2.gz LYHPHEFJNWWOJR-UHFFFAOYSA-N 2 2 228.339 2.620 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccc2ccccc2c1 ZINC000231360770 641166826 /nfs/dbraw/zinc/16/68/26/641166826.db2.gz LYHPHEFJNWWOJR-UHFFFAOYSA-N 2 2 228.339 2.620 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771658 641536834 /nfs/dbraw/zinc/53/68/34/641536834.db2.gz RTSPSISWWCUFSR-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000915227799 641811723 /nfs/dbraw/zinc/81/17/23/641811723.db2.gz AUTACQRTEQPLGA-UHFFFAOYSA-N 2 2 243.354 2.821 20 0 BFADLP CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154507556 642115672 /nfs/dbraw/zinc/11/56/72/642115672.db2.gz LFQBIONOAZLOOT-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154507556 642115683 /nfs/dbraw/zinc/11/56/83/642115683.db2.gz LFQBIONOAZLOOT-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000233430312 642670949 /nfs/dbraw/zinc/67/09/49/642670949.db2.gz BOEIURBBKKESMN-STQMWFEESA-N 2 2 244.448 2.592 20 0 BFADLP CCC[NH+]1CCC([N@H+](C)C/C=C\Cl)CC1 ZINC000254915673 643161713 /nfs/dbraw/zinc/16/17/13/643161713.db2.gz BDCSNOQGWKXSPM-DAXSKMNVSA-N 2 2 230.783 2.545 20 0 BFADLP CCC[NH+]1CCC([N@@H+](C)C/C=C\Cl)CC1 ZINC000254915673 643161725 /nfs/dbraw/zinc/16/17/25/643161725.db2.gz BDCSNOQGWKXSPM-DAXSKMNVSA-N 2 2 230.783 2.545 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@H]1C)[NH+]1CCCCC1 ZINC000083390694 643445823 /nfs/dbraw/zinc/44/58/23/643445823.db2.gz HIWDGGUTKFIODQ-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc([N@H+](C)CC2CC[NH2+]CC2)c(C)c1 ZINC000049986683 643572267 /nfs/dbraw/zinc/57/22/67/643572267.db2.gz UNLWHVALLAUIMR-UHFFFAOYSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1ccc([N@@H+](C)CC2CC[NH2+]CC2)c(C)c1 ZINC000049986683 643572271 /nfs/dbraw/zinc/57/22/71/643572271.db2.gz UNLWHVALLAUIMR-UHFFFAOYSA-N 2 2 232.371 2.739 20 0 BFADLP CC[N@H+](CC1CC[NH2+]CC1)c1ccc(C)cc1 ZINC000049986700 643574964 /nfs/dbraw/zinc/57/49/64/643574964.db2.gz RFSDLORAGGHMGI-UHFFFAOYSA-N 2 2 232.371 2.821 20 0 BFADLP CC[N@@H+](CC1CC[NH2+]CC1)c1ccc(C)cc1 ZINC000049986700 643574966 /nfs/dbraw/zinc/57/49/66/643574966.db2.gz RFSDLORAGGHMGI-UHFFFAOYSA-N 2 2 232.371 2.821 20 0 BFADLP C[N@@H+](C/C=C\Cl)CC[C@H]1CCCC[NH+]1C ZINC000255471902 643864561 /nfs/dbraw/zinc/86/45/61/643864561.db2.gz LAWYCDHRZPAYLW-VVEJJEBESA-N 2 2 230.783 2.545 20 0 BFADLP C[N@H+](C/C=C\Cl)CC[C@H]1CCCC[NH+]1C ZINC000255471902 643864565 /nfs/dbraw/zinc/86/45/65/643864565.db2.gz LAWYCDHRZPAYLW-VVEJJEBESA-N 2 2 230.783 2.545 20 0 BFADLP C[NH+](C/C=C\Cl)CC[C@H]1CCCC[N@@H+]1C ZINC000255471902 643864568 /nfs/dbraw/zinc/86/45/68/643864568.db2.gz LAWYCDHRZPAYLW-VVEJJEBESA-N 2 2 230.783 2.545 20 0 BFADLP C[NH+](C/C=C\Cl)CC[C@H]1CCCC[N@H+]1C ZINC000255471902 643864572 /nfs/dbraw/zinc/86/45/72/643864572.db2.gz LAWYCDHRZPAYLW-VVEJJEBESA-N 2 2 230.783 2.545 20 0 BFADLP CC(F)(F)CCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531155 644488308 /nfs/dbraw/zinc/48/83/08/644488308.db2.gz PVFIMWJKLIUTSG-ZDUSSCGKSA-N 2 2 246.345 2.640 20 0 BFADLP CC(F)(F)CCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923531155 644488310 /nfs/dbraw/zinc/48/83/10/644488310.db2.gz PVFIMWJKLIUTSG-ZDUSSCGKSA-N 2 2 246.345 2.640 20 0 BFADLP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)co1 ZINC000093683787 644697796 /nfs/dbraw/zinc/69/77/96/644697796.db2.gz AUSYMQAYIPMILB-AWEZNQCLSA-N 2 2 248.370 2.587 20 0 BFADLP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)co1 ZINC000093683787 644697800 /nfs/dbraw/zinc/69/78/00/644697800.db2.gz AUSYMQAYIPMILB-AWEZNQCLSA-N 2 2 248.370 2.587 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000252711472 644888210 /nfs/dbraw/zinc/88/82/10/644888210.db2.gz JQJJLQUVLSXVKK-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000252711472 644888214 /nfs/dbraw/zinc/88/82/14/644888214.db2.gz JQJJLQUVLSXVKK-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000817984112 644995011 /nfs/dbraw/zinc/99/50/11/644995011.db2.gz NFQNXAIQROHBRU-HOCLYGCPSA-N 2 2 244.382 2.714 20 0 BFADLP C1[C@@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@@H]1C1CCC1 ZINC000926616599 645317863 /nfs/dbraw/zinc/31/78/63/645317863.db2.gz UKJATQLHBWJTRR-JJXSEGSLSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@@H]1C1CCC1 ZINC000926616599 645317868 /nfs/dbraw/zinc/31/78/68/645317868.db2.gz UKJATQLHBWJTRR-JJXSEGSLSA-N 2 2 248.414 2.782 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000926717096 645382097 /nfs/dbraw/zinc/38/20/97/645382097.db2.gz ZHJGHXUQHKQLEM-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000926717096 645382104 /nfs/dbraw/zinc/38/21/04/645382104.db2.gz ZHJGHXUQHKQLEM-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926721035 645383179 /nfs/dbraw/zinc/38/31/79/645383179.db2.gz GHPAINWYRLXKOJ-GUTXKFCHSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926721035 645383185 /nfs/dbraw/zinc/38/31/85/645383185.db2.gz GHPAINWYRLXKOJ-GUTXKFCHSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848927022 645444689 /nfs/dbraw/zinc/44/46/89/645444689.db2.gz AHYJWPNOMAQUOI-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848927022 645444695 /nfs/dbraw/zinc/44/46/95/645444695.db2.gz AHYJWPNOMAQUOI-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926883508 645474361 /nfs/dbraw/zinc/47/43/61/645474361.db2.gz APDKWVCJIGXSJV-AQGHMYMLSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926883508 645474373 /nfs/dbraw/zinc/47/43/73/645474373.db2.gz APDKWVCJIGXSJV-AQGHMYMLSA-N 2 2 248.414 2.637 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000925489969 645535260 /nfs/dbraw/zinc/53/52/60/645535260.db2.gz DBQCHTGZIIRGJE-GJZGRUSLSA-N 2 2 244.382 2.794 20 0 BFADLP CCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000924540225 646059494 /nfs/dbraw/zinc/05/94/94/646059494.db2.gz DNDFKZZLLCLRAB-KBPBESRZSA-N 2 2 224.392 2.783 20 0 BFADLP CCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000924540225 646059498 /nfs/dbraw/zinc/05/94/98/646059498.db2.gz DNDFKZZLLCLRAB-KBPBESRZSA-N 2 2 224.392 2.783 20 0 BFADLP CC(C)C(C(C)C)[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000924554095 646066985 /nfs/dbraw/zinc/06/69/85/646066985.db2.gz TWRLALXKPIAZFO-CYBMUJFWSA-N 2 2 237.391 2.789 20 0 BFADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000925610604 646360658 /nfs/dbraw/zinc/36/06/58/646360658.db2.gz HWEUMWWNAVFFEZ-SWLSCSKDSA-N 2 2 244.338 2.500 20 0 BFADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(C2CC2)CC1 ZINC000925614478 646362722 /nfs/dbraw/zinc/36/27/22/646362722.db2.gz WXQAVDVNUKOOSL-CABCVRRESA-N 2 2 248.414 2.783 20 0 BFADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1(C2CC2)CC1 ZINC000925614478 646362725 /nfs/dbraw/zinc/36/27/25/646362725.db2.gz WXQAVDVNUKOOSL-CABCVRRESA-N 2 2 248.414 2.783 20 0 BFADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccccc1 ZINC000925651524 646391353 /nfs/dbraw/zinc/39/13/53/646391353.db2.gz FDLUWFSIEJMNCA-AEGPPILISA-N 2 2 244.382 2.997 20 0 BFADLP CC/C=C\C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925679809 646407735 /nfs/dbraw/zinc/40/77/35/646407735.db2.gz FQLOVBSRFCOAJC-ADIFCCSOSA-N 2 2 218.344 2.631 20 0 BFADLP CC/C=C/C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925679810 646407873 /nfs/dbraw/zinc/40/78/73/646407873.db2.gz FQLOVBSRFCOAJC-BILJCIPTSA-N 2 2 218.344 2.631 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000925711327 646435716 /nfs/dbraw/zinc/43/57/16/646435716.db2.gz ZXTIZEMLWGOHTH-SMDDNHRTSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1cc(N[C@H]2CCCCC[C@H]2[NH3+])c[nH+]c1C ZINC000925769334 646471281 /nfs/dbraw/zinc/47/12/81/646471281.db2.gz OUPAQSHQMMZAFV-KGLIPLIRSA-N 2 2 233.359 2.770 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000925783691 646479580 /nfs/dbraw/zinc/47/95/80/646479580.db2.gz DUIIRSAQQAFHKX-UXIGCNINSA-N 2 2 232.371 2.562 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000925785151 646481134 /nfs/dbraw/zinc/48/11/34/646481134.db2.gz JKZWTEORVBXPCV-BYCMXARLSA-N 2 2 244.382 2.607 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925784554 646481400 /nfs/dbraw/zinc/48/14/00/646481400.db2.gz HCDQVXRWPCBOMJ-TYNCELHUSA-N 2 2 232.371 2.508 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925784552 646481965 /nfs/dbraw/zinc/48/19/65/646481965.db2.gz HCDQVXRWPCBOMJ-LALPHHSUSA-N 2 2 232.371 2.508 20 0 BFADLP CC(C)=CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926265622 646608954 /nfs/dbraw/zinc/60/89/54/646608954.db2.gz MZHXNKAYQUFUSN-GJZGRUSLSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)=CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926265622 646608961 /nfs/dbraw/zinc/60/89/61/646608961.db2.gz MZHXNKAYQUFUSN-GJZGRUSLSA-N 2 2 236.403 2.949 20 0 BFADLP CCCCC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037156869 712549703 /nfs/dbraw/zinc/54/97/03/712549703.db2.gz DNHRUBVJJOKZMI-CHWSQXEVSA-N 2 2 223.364 2.830 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C1CCC1 ZINC000393801681 710756138 /nfs/dbraw/zinc/75/61/38/710756138.db2.gz RLDHFAZHRYAZRR-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CSC(C)(C)CC[NH2+]CC1([NH+](C)C)CCC1 ZINC000385876655 711019209 /nfs/dbraw/zinc/01/92/09/711019209.db2.gz WCTXXIGIBBRHDG-UHFFFAOYSA-N 2 2 244.448 2.592 20 0 BFADLP C[C@H](c1cccs1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000390061271 711104540 /nfs/dbraw/zinc/10/45/40/711104540.db2.gz UMBZICMCQAITEB-BDAKNGLRSA-N 2 2 248.342 2.723 20 0 BFADLP C[C@H](c1cccs1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000390061271 711104543 /nfs/dbraw/zinc/10/45/43/711104543.db2.gz UMBZICMCQAITEB-BDAKNGLRSA-N 2 2 248.342 2.723 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000381331901 710623859 /nfs/dbraw/zinc/62/38/59/710623859.db2.gz UFEJZOQIJUTWLB-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037153957 711727857 /nfs/dbraw/zinc/72/78/57/711727857.db2.gz OOHMXFVNGCLHNU-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000705217136 712123992 /nfs/dbraw/zinc/12/39/92/712123992.db2.gz HQMSZVLAVHSTBZ-JHJVBQTASA-N 2 2 235.375 2.543 20 0 BFADLP C[C@@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CC1 ZINC000037156617 712549593 /nfs/dbraw/zinc/54/95/93/712549593.db2.gz SRNHEWYFTVWXKX-DGCLKSJQSA-N 2 2 235.375 2.686 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCCCC2CC2)C[N@@H+]1C1CC1 ZINC000716357696 712556301 /nfs/dbraw/zinc/55/63/01/712556301.db2.gz JCMZWAPIDFZLNL-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCCCC2CC2)C[N@H+]1C1CC1 ZINC000716357696 712556302 /nfs/dbraw/zinc/55/63/02/712556302.db2.gz JCMZWAPIDFZLNL-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1CCC(C)(C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000717490083 712659877 /nfs/dbraw/zinc/65/98/77/712659877.db2.gz OSOFBSOKIFDYCL-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028472 712799334 /nfs/dbraw/zinc/79/93/34/712799334.db2.gz UNSBGYJTJOEWPW-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000226776337 965246624 /nfs/dbraw/zinc/24/66/24/965246624.db2.gz SLHGEJXSQFGIAX-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000226776337 965246630 /nfs/dbraw/zinc/24/66/30/965246630.db2.gz SLHGEJXSQFGIAX-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205074927 967327747 /nfs/dbraw/zinc/32/77/47/967327747.db2.gz CBRMAURUYDQWNG-QWRGUYRKSA-N 2 2 238.400 2.622 20 0 BFADLP CCc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205074927 967327756 /nfs/dbraw/zinc/32/77/56/967327756.db2.gz CBRMAURUYDQWNG-QWRGUYRKSA-N 2 2 238.400 2.622 20 0 BFADLP [NH3+][C@@H]1CCC[N@H+](Cc2csc(Cl)c2)CC1 ZINC001205110056 967357430 /nfs/dbraw/zinc/35/74/30/967357430.db2.gz NRVRNYCGYNHPTR-SNVBAGLBSA-N 2 2 244.791 2.715 20 0 BFADLP [NH3+][C@@H]1CCC[N@@H+](Cc2csc(Cl)c2)CC1 ZINC001205110056 967357444 /nfs/dbraw/zinc/35/74/44/967357444.db2.gz NRVRNYCGYNHPTR-SNVBAGLBSA-N 2 2 244.791 2.715 20 0 BFADLP CCCC[C@H](C)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001255328683 970108754 /nfs/dbraw/zinc/10/87/54/970108754.db2.gz LPBFZZFYHWDTGA-ZDUSSCGKSA-N 2 2 226.408 2.981 20 0 BFADLP CCCC[C@H](C)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001255328683 970108758 /nfs/dbraw/zinc/10/87/58/970108758.db2.gz LPBFZZFYHWDTGA-ZDUSSCGKSA-N 2 2 226.408 2.981 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001170118630 970343152 /nfs/dbraw/zinc/34/31/52/970343152.db2.gz TVNONQIUOHEVHJ-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001170118630 970343166 /nfs/dbraw/zinc/34/31/66/970343166.db2.gz TVNONQIUOHEVHJ-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@H](C)CC(F)(F)F ZINC001255660668 970445332 /nfs/dbraw/zinc/44/53/32/970445332.db2.gz KCITWJIRORFAQS-SNVBAGLBSA-N 2 2 249.280 2.546 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H](C)CC(F)(F)F ZINC001255660668 970445339 /nfs/dbraw/zinc/44/53/39/970445339.db2.gz KCITWJIRORFAQS-SNVBAGLBSA-N 2 2 249.280 2.546 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001177548947 978393533 /nfs/dbraw/zinc/39/35/33/978393533.db2.gz XZGHJVBWAYLBAW-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000070748568 978891476 /nfs/dbraw/zinc/89/14/76/978891476.db2.gz VSSWKVGYIYQVFP-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)C1 ZINC000070748568 978891482 /nfs/dbraw/zinc/89/14/82/978891482.db2.gz VSSWKVGYIYQVFP-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201756600 983457986 /nfs/dbraw/zinc/45/79/86/983457986.db2.gz OIKBVCBSZYZRGX-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201756600 983458004 /nfs/dbraw/zinc/45/80/04/983458004.db2.gz OIKBVCBSZYZRGX-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201756600 983458013 /nfs/dbraw/zinc/45/80/13/983458013.db2.gz OIKBVCBSZYZRGX-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201756600 983458017 /nfs/dbraw/zinc/45/80/17/983458017.db2.gz OIKBVCBSZYZRGX-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@H](CC(C)C)n1c[nH+]c(C)c1CC[NH3+] ZINC001172388336 974734639 /nfs/dbraw/zinc/73/46/39/974734639.db2.gz DQNWBNPKWOVGKN-GFCCVEGCSA-N 2 2 223.364 2.690 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001172393261 974744293 /nfs/dbraw/zinc/74/42/93/974744293.db2.gz JMSGJIJRESUUJU-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001172393261 974744301 /nfs/dbraw/zinc/74/43/01/974744301.db2.gz JMSGJIJRESUUJU-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP Nc1[nH+]cccc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001243476525 970771379 /nfs/dbraw/zinc/77/13/79/970771379.db2.gz SYSUDTDFGNQUCD-AWEZNQCLSA-N 2 2 239.322 2.755 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001256366545 970773434 /nfs/dbraw/zinc/77/34/34/970773434.db2.gz QAZNFQAKTBLTQV-ZDUSSCGKSA-N 2 2 236.359 2.875 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001257250705 971146375 /nfs/dbraw/zinc/14/63/75/971146375.db2.gz TVRBBJRFBKYJLH-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001257250705 971146389 /nfs/dbraw/zinc/14/63/89/971146389.db2.gz TVRBBJRFBKYJLH-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](CC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257272610 971173135 /nfs/dbraw/zinc/17/31/35/971173135.db2.gz YDXUCJSCBIXZNM-HZSPNIEDSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](CC)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257272610 971173142 /nfs/dbraw/zinc/17/31/42/971173142.db2.gz YDXUCJSCBIXZNM-HZSPNIEDSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](CC)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001257272610 971173147 /nfs/dbraw/zinc/17/31/47/971173147.db2.gz YDXUCJSCBIXZNM-HZSPNIEDSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](CC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001257272610 971173150 /nfs/dbraw/zinc/17/31/50/971173150.db2.gz YDXUCJSCBIXZNM-HZSPNIEDSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257323786 971223416 /nfs/dbraw/zinc/22/34/16/971223416.db2.gz GIGSLRFHDMNLNR-CYBMUJFWSA-N 2 2 247.386 2.829 20 0 BFADLP CCCCCC[C@@H](C)n1cc[nH+]c1CC[NH3+] ZINC001257363692 971280622 /nfs/dbraw/zinc/28/06/22/971280622.db2.gz XLDRLYRUJYTPCA-GFCCVEGCSA-N 2 2 223.364 2.916 20 0 BFADLP CC[C@@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257433180 971343821 /nfs/dbraw/zinc/34/38/21/971343821.db2.gz FWLWZKGHIFVIBB-MGPQQGTHSA-N 2 2 247.386 2.956 20 0 BFADLP C1CC([N@@H+]2CC[C@H]([NH2+]C3CCCCC3)C2)C1 ZINC001257452564 971374834 /nfs/dbraw/zinc/37/48/34/971374834.db2.gz ASELMPGIUOGBEY-ZDUSSCGKSA-N 2 2 222.376 2.536 20 0 BFADLP C1CC([N@H+]2CC[C@H]([NH2+]C3CCCCC3)C2)C1 ZINC001257452564 971374839 /nfs/dbraw/zinc/37/48/39/971374839.db2.gz ASELMPGIUOGBEY-ZDUSSCGKSA-N 2 2 222.376 2.536 20 0 BFADLP CCC[C@@H](C)CC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246091255 972145048 /nfs/dbraw/zinc/14/50/48/972145048.db2.gz IRJDWFLTCZUTGJ-MQYQWHSLSA-N 2 2 244.398 2.881 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C[NH2+]1 ZINC001246205516 972216494 /nfs/dbraw/zinc/21/64/94/972216494.db2.gz UNYAYUXPZMRGCX-RISCZKNCSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C[NH2+]1 ZINC001246205498 972217005 /nfs/dbraw/zinc/21/70/05/972217005.db2.gz UNYAYUXPZMRGCX-BXUZGUMPSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246409829 972312744 /nfs/dbraw/zinc/31/27/44/972312744.db2.gz CKRGKHKGIYRVPJ-MELADBBJSA-N 2 2 232.371 2.704 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1ccc(C)cc1 ZINC001246465097 972340829 /nfs/dbraw/zinc/34/08/29/972340829.db2.gz ZOSABSULVVLJSZ-NWANDNLSSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1ccccc1C[N@@H+](C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399030207 958493882 /nfs/dbraw/zinc/49/38/82/958493882.db2.gz LKYDFDWZNVFJNR-HIFRSBDPSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccccc1C[N@H+](C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399030207 958493891 /nfs/dbraw/zinc/49/38/91/958493891.db2.gz LKYDFDWZNVFJNR-HIFRSBDPSA-N 2 2 232.371 2.567 20 0 BFADLP F[C@H]1CCCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801918 960593304 /nfs/dbraw/zinc/59/33/04/960593304.db2.gz KXGLZZDZFWXEEC-LBPRGKRZSA-N 2 2 247.317 2.887 20 0 BFADLP F[C@H]1CCCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801918 960593318 /nfs/dbraw/zinc/59/33/18/960593318.db2.gz KXGLZZDZFWXEEC-LBPRGKRZSA-N 2 2 247.317 2.887 20 0 BFADLP CC[NH+](CC)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236410 961011902 /nfs/dbraw/zinc/01/19/02/961011902.db2.gz CBVJQKFILPMZKO-UHFFFAOYSA-N 2 2 229.327 2.714 20 0 BFADLP c1cn2cc(C[N@@H+]3CC4CCC3CC4)ccc2[nH+]1 ZINC001143027152 961867461 /nfs/dbraw/zinc/86/74/61/961867461.db2.gz LIVMZHOUMOWOJT-UHFFFAOYSA-N 2 2 241.338 2.709 20 0 BFADLP c1cn2cc(C[N@H+]3CC4CCC3CC4)ccc2[nH+]1 ZINC001143027152 961867462 /nfs/dbraw/zinc/86/74/62/961867462.db2.gz LIVMZHOUMOWOJT-UHFFFAOYSA-N 2 2 241.338 2.709 20 0 BFADLP Cc1cc(-c2cccc3c2C[NH2+]C3)cc(C)[nH+]1 ZINC000713232071 963140488 /nfs/dbraw/zinc/14/04/88/963140488.db2.gz JDFZWISDGBFEAD-UHFFFAOYSA-N 2 2 224.307 2.969 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001157795904 963728722 /nfs/dbraw/zinc/72/87/22/963728722.db2.gz XDDGYHJZCQDTPL-STQMWFEESA-N 2 2 233.359 2.675 20 0 BFADLP CC(C)N(CCC[NH3+])c1[nH+]ccc2ccccc21 ZINC000168624880 964182189 /nfs/dbraw/zinc/18/21/89/964182189.db2.gz FJRIRGYPJPZIJT-UHFFFAOYSA-N 2 2 243.354 2.798 20 0 BFADLP [NH3+][C@@H]1C[N@H+](CCCC2CCCCC2)CC12CC2 ZINC001204903785 964620125 /nfs/dbraw/zinc/62/01/25/964620125.db2.gz DRTMCERMQVQYKE-CQSZACIVSA-N 2 2 236.403 2.770 20 0 BFADLP [NH3+][C@@H]1C[N@@H+](CCCC2CCCCC2)CC12CC2 ZINC001204903785 964620134 /nfs/dbraw/zinc/62/01/34/964620134.db2.gz DRTMCERMQVQYKE-CQSZACIVSA-N 2 2 236.403 2.770 20 0 BFADLP C[C@@H](CC[NH2+]Cc1ccccc1Cl)[NH+](C)C ZINC000697918472 964680047 /nfs/dbraw/zinc/68/00/47/964680047.db2.gz WDBLBEUJPQOYNZ-NSHDSACASA-N 2 2 240.778 2.770 20 0 BFADLP C(C1CC1)[NH+]1CCC([N@@H+]2CCCCC23CC3)CC1 ZINC001168387366 965109920 /nfs/dbraw/zinc/10/99/20/965109920.db2.gz FUQMDKFTJFGABZ-UHFFFAOYSA-N 2 2 248.414 2.879 20 0 BFADLP C(C1CC1)[NH+]1CCC([N@H+]2CCCCC23CC3)CC1 ZINC001168387366 965109930 /nfs/dbraw/zinc/10/99/30/965109930.db2.gz FUQMDKFTJFGABZ-UHFFFAOYSA-N 2 2 248.414 2.879 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000226769111 965244190 /nfs/dbraw/zinc/24/41/90/965244190.db2.gz WMYQBPSNSGMWEW-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000226769111 965244192 /nfs/dbraw/zinc/24/41/92/965244192.db2.gz WMYQBPSNSGMWEW-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]ccn1CCNc1ccc(C2CC2)c[nH+]1 ZINC001163923640 965638927 /nfs/dbraw/zinc/63/89/27/965638927.db2.gz LVPMGJATCUGURG-UHFFFAOYSA-N 2 2 242.326 2.576 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000400451771 965949683 /nfs/dbraw/zinc/94/96/83/965949683.db2.gz OUEKPLYVXCJTEH-GRYCIOLGSA-N 2 2 238.400 2.848 20 0 BFADLP CCCC[C@H](CC)C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165040 966023187 /nfs/dbraw/zinc/02/31/87/966023187.db2.gz FWJMIIGOQFSKLB-MELADBBJSA-N 2 2 224.392 2.626 20 0 BFADLP CCCC[C@H](CC)C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165040 966023203 /nfs/dbraw/zinc/02/32/03/966023203.db2.gz FWJMIIGOQFSKLB-MELADBBJSA-N 2 2 224.392 2.626 20 0 BFADLP CCc1cccc(C)c1C[N@@H+](CC)[C@H]1CC[NH2+]C1 ZINC001235976462 966193563 /nfs/dbraw/zinc/19/35/63/966193563.db2.gz XIXHVTWNIODJIG-HNNXBMFYSA-N 2 2 246.398 2.741 20 0 BFADLP CCc1cccc(C)c1C[N@H+](CC)[C@H]1CC[NH2+]C1 ZINC001235976462 966193592 /nfs/dbraw/zinc/19/35/92/966193592.db2.gz XIXHVTWNIODJIG-HNNXBMFYSA-N 2 2 246.398 2.741 20 0 BFADLP CCc1cccc(C[N@@H+](CC)[C@@H]2CCC[NH2+]C2)c1 ZINC001236005019 966221176 /nfs/dbraw/zinc/22/11/76/966221176.db2.gz ABCOMGKVALTCRJ-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1cccc(C[N@H+](CC)[C@@H]2CCC[NH2+]C2)c1 ZINC001236005019 966221194 /nfs/dbraw/zinc/22/11/94/966221194.db2.gz ABCOMGKVALTCRJ-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2ccc(C)cc12 ZINC001236866219 966600053 /nfs/dbraw/zinc/60/00/53/966600053.db2.gz WVPKZASZBDITRS-ZDUSSCGKSA-N 2 2 245.370 2.645 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2ccc(C)cc12 ZINC001236866219 966600056 /nfs/dbraw/zinc/60/00/56/966600056.db2.gz WVPKZASZBDITRS-ZDUSSCGKSA-N 2 2 245.370 2.645 20 0 BFADLP CC[N@H+](C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001204175660 966916326 /nfs/dbraw/zinc/91/63/26/966916326.db2.gz ZFHDDLVOJZRNCF-UHFFFAOYSA-N 2 2 246.398 2.911 20 0 BFADLP CC[N@@H+](C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001204175660 966916328 /nfs/dbraw/zinc/91/63/28/966916328.db2.gz ZFHDDLVOJZRNCF-UHFFFAOYSA-N 2 2 246.398 2.911 20 0 BFADLP Cc1ccc([C@H](C)CC[N@H+]2CC[C@](C)([NH3+])C2)o1 ZINC001204763600 967155003 /nfs/dbraw/zinc/15/50/03/967155003.db2.gz MUHSLZFLFGWAHE-RISCZKNCSA-N 2 2 236.359 2.505 20 0 BFADLP Cc1ccc([C@H](C)CC[N@@H+]2CC[C@](C)([NH3+])C2)o1 ZINC001204763600 967154988 /nfs/dbraw/zinc/15/49/88/967154988.db2.gz MUHSLZFLFGWAHE-RISCZKNCSA-N 2 2 236.359 2.505 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC001204849049 967199666 /nfs/dbraw/zinc/19/96/66/967199666.db2.gz XGIVFHGHHRBHMJ-OAHLLOKOSA-N 2 2 232.371 2.741 20 0 BFADLP CC[NH2+]CC[N@H+]1CCC[C@@H]1c1cccc(C)c1 ZINC001204849049 967199675 /nfs/dbraw/zinc/19/96/75/967199675.db2.gz XGIVFHGHHRBHMJ-OAHLLOKOSA-N 2 2 232.371 2.741 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204911951 967230290 /nfs/dbraw/zinc/23/02/90/967230290.db2.gz NLGPTADSVFSSFO-OAHLLOKOSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204911951 967230298 /nfs/dbraw/zinc/23/02/98/967230298.db2.gz NLGPTADSVFSSFO-OAHLLOKOSA-N 2 2 244.382 2.733 20 0 BFADLP Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)o1 ZINC001205170609 967404649 /nfs/dbraw/zinc/40/46/49/967404649.db2.gz AARLZFGAYIZDTD-CYZMBNFOSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@H]([NH3+])[C@H]2C)o1 ZINC001205170609 967404653 /nfs/dbraw/zinc/40/46/53/967404653.db2.gz AARLZFGAYIZDTD-CYZMBNFOSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cs1 ZINC001205851862 967853905 /nfs/dbraw/zinc/85/39/05/967853905.db2.gz CMDNFUODLDUXLO-GWCFXTLKSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])cs1 ZINC001205851862 967853912 /nfs/dbraw/zinc/85/39/12/967853912.db2.gz CMDNFUODLDUXLO-GWCFXTLKSA-N 2 2 238.400 2.616 20 0 BFADLP CCOc1cc(Nc2cc[nH+]c(N)c2)cc(C)[nH+]1 ZINC001206535739 968364541 /nfs/dbraw/zinc/36/45/41/968364541.db2.gz QWPCMLZKLBTHDF-UHFFFAOYSA-N 2 2 244.298 2.510 20 0 BFADLP CC/C=C\CC[N@H+](CC)C1CC[NH+](C)CC1 ZINC001208729280 969217232 /nfs/dbraw/zinc/21/72/32/969217232.db2.gz QPFGLNOODTZJMM-SREVYHEPSA-N 2 2 224.392 2.759 20 0 BFADLP CC/C=C\CC[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001208729280 969217239 /nfs/dbraw/zinc/21/72/39/969217239.db2.gz QPFGLNOODTZJMM-SREVYHEPSA-N 2 2 224.392 2.759 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC001169107687 969447308 /nfs/dbraw/zinc/44/73/08/969447308.db2.gz KEVIMLDYVGQKPS-DOERSZECSA-N 2 2 234.343 2.555 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC001169107687 969447316 /nfs/dbraw/zinc/44/73/16/969447316.db2.gz KEVIMLDYVGQKPS-DOERSZECSA-N 2 2 234.343 2.555 20 0 BFADLP Cc1ccc(N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)[nH+]1 ZINC001254238586 969549475 /nfs/dbraw/zinc/54/94/75/969549475.db2.gz UBWMOVGUHVFGGG-MEBBXXQBSA-N 2 2 245.370 2.593 20 0 BFADLP Cc1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)[nH+]1 ZINC001254238586 969549479 /nfs/dbraw/zinc/54/94/79/969549479.db2.gz UBWMOVGUHVFGGG-MEBBXXQBSA-N 2 2 245.370 2.593 20 0 BFADLP Cc1ccc(C[N@@H+](C(C)C)C2CC[NH+](C)CC2)[nH]1 ZINC001209575754 969561007 /nfs/dbraw/zinc/56/10/07/969561007.db2.gz MBWXFIQFQYWTFT-UHFFFAOYSA-N 2 2 249.402 2.628 20 0 BFADLP Cc1ccc(C[N@H+](C(C)C)C2CC[NH+](C)CC2)[nH]1 ZINC001209575754 969561008 /nfs/dbraw/zinc/56/10/08/969561008.db2.gz MBWXFIQFQYWTFT-UHFFFAOYSA-N 2 2 249.402 2.628 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC2(CC2)CC1 ZINC001254449841 969641468 /nfs/dbraw/zinc/64/14/68/969641468.db2.gz XGZKMDIOIFYQAZ-UHFFFAOYSA-N 2 2 247.386 2.928 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC2(CC2)CC1 ZINC001254449841 969641472 /nfs/dbraw/zinc/64/14/72/969641472.db2.gz XGZKMDIOIFYQAZ-UHFFFAOYSA-N 2 2 247.386 2.928 20 0 BFADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC4(CC4)CC3)C[C@H]21 ZINC001254449849 969645346 /nfs/dbraw/zinc/64/53/46/969645346.db2.gz XKRASPLHLNQFGY-DZGCQCFKSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC4(CC4)CC3)C[C@H]21 ZINC001254449849 969645348 /nfs/dbraw/zinc/64/53/48/969645348.db2.gz XKRASPLHLNQFGY-DZGCQCFKSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC4(CC4)CC3)C[C@H]21 ZINC001254449849 969645352 /nfs/dbraw/zinc/64/53/52/969645352.db2.gz XKRASPLHLNQFGY-DZGCQCFKSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC4(CC4)CC3)C[C@H]21 ZINC001254449849 969645355 /nfs/dbraw/zinc/64/53/55/969645355.db2.gz XKRASPLHLNQFGY-DZGCQCFKSA-N 2 2 248.414 2.735 20 0 BFADLP Cc1ccc(Nc2c[nH+]c(N)cc2C)c(C)[nH+]1 ZINC001209961397 969722707 /nfs/dbraw/zinc/72/27/07/969722707.db2.gz HELYPHCLORYPGU-UHFFFAOYSA-N 2 2 228.299 2.728 20 0 BFADLP CC[C@H](C)C[C@@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254841683 969803962 /nfs/dbraw/zinc/80/39/62/969803962.db2.gz ZNIJANHRRURWRY-GUTXKFCHSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]cc(Nc2cc[nH+]c(C3CC3)c2)cc1N ZINC001210289058 969857027 /nfs/dbraw/zinc/85/70/27/969857027.db2.gz SGNZIEXMPKRXJW-UHFFFAOYSA-N 2 2 240.310 2.988 20 0 BFADLP CCCC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001255322207 970098564 /nfs/dbraw/zinc/09/85/64/970098564.db2.gz HBYVFZRBSYVKTO-GFCCVEGCSA-N 2 2 212.381 2.591 20 0 BFADLP CCCC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001255322207 970098579 /nfs/dbraw/zinc/09/85/79/970098579.db2.gz HBYVFZRBSYVKTO-GFCCVEGCSA-N 2 2 212.381 2.591 20 0 BFADLP CCCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001255333762 970115092 /nfs/dbraw/zinc/11/50/92/970115092.db2.gz XJHILIJPSGSHPZ-MJBXVCDLSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001255333762 970115098 /nfs/dbraw/zinc/11/50/98/970115098.db2.gz XJHILIJPSGSHPZ-MJBXVCDLSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001255333762 970115105 /nfs/dbraw/zinc/11/51/05/970115105.db2.gz XJHILIJPSGSHPZ-MJBXVCDLSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001255333762 970115111 /nfs/dbraw/zinc/11/51/11/970115111.db2.gz XJHILIJPSGSHPZ-MJBXVCDLSA-N 2 2 224.392 2.591 20 0 BFADLP Cc1cc[nH+]c(C(C)C)c1Nc1c[nH+]cn1C ZINC001211248622 970193795 /nfs/dbraw/zinc/19/37/95/970193795.db2.gz QPJDIKAZVUMNDZ-UHFFFAOYSA-N 2 2 230.315 2.991 20 0 BFADLP Cn1c[nH+]cc1-c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC001243070571 970271345 /nfs/dbraw/zinc/27/13/45/970271345.db2.gz HSZNZXCLKLEKNV-AWEZNQCLSA-N 2 2 241.338 2.554 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cccc(C)n1 ZINC001255940849 970571228 /nfs/dbraw/zinc/57/12/28/970571228.db2.gz HKWOAADUODVCTC-ZDUSSCGKSA-N 2 2 249.402 2.600 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001256361216 970762965 /nfs/dbraw/zinc/76/29/65/970762965.db2.gz PEUQQXLXADDBOL-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001256361216 970762973 /nfs/dbraw/zinc/76/29/73/970762973.db2.gz PEUQQXLXADDBOL-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCc1ccc(C[N@H+](C)[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246844416 973143282 /nfs/dbraw/zinc/14/32/82/973143282.db2.gz JFVMBCHWYZPRCI-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1ccc(C[N@@H+](C)[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246844416 973143289 /nfs/dbraw/zinc/14/32/89/973143289.db2.gz JFVMBCHWYZPRCI-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP C[C@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246868353 973243396 /nfs/dbraw/zinc/24/33/96/973243396.db2.gz LQAIZJZNDBGBBO-XJKSGUPXSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246868353 973243409 /nfs/dbraw/zinc/24/34/09/973243409.db2.gz LQAIZJZNDBGBBO-XJKSGUPXSA-N 2 2 244.382 2.575 20 0 BFADLP CCCCC[C@H](CCC)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246914232 973443555 /nfs/dbraw/zinc/44/35/55/973443555.db2.gz BVZWCJNPUJYFHU-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246914232 973443569 /nfs/dbraw/zinc/44/35/69/973443569.db2.gz BVZWCJNPUJYFHU-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246912654 973450885 /nfs/dbraw/zinc/45/08/85/973450885.db2.gz ZQYKGJXQRDJADN-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246912654 973450896 /nfs/dbraw/zinc/45/08/96/973450896.db2.gz ZQYKGJXQRDJADN-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP C[C@H]1CC[C@H]([N@@H+]2CCc3ccccc3[C@@H]2C)C[NH2+]1 ZINC001246982758 973755833 /nfs/dbraw/zinc/75/58/33/973755833.db2.gz DAYGAUYLLIVDMG-YDHLFZDLSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@H]1CC[C@H]([N@H+]2CCc3ccccc3[C@@H]2C)C[NH2+]1 ZINC001246982758 973755844 /nfs/dbraw/zinc/75/58/44/973755844.db2.gz DAYGAUYLLIVDMG-YDHLFZDLSA-N 2 2 244.382 2.746 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172377454 974579493 /nfs/dbraw/zinc/57/94/93/974579493.db2.gz XTDUOPWGVYZZBP-OUCADQQQSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CC[C@H](C)[C@H](C)C1)C2 ZINC001172377454 974579501 /nfs/dbraw/zinc/57/95/01/974579501.db2.gz XTDUOPWGVYZZBP-OUCADQQQSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cn([C@@H]2CC[C@H](C)[C@H](C)C2)c1CC[NH3+] ZINC001172357675 974627060 /nfs/dbraw/zinc/62/70/60/974627060.db2.gz AIUBZBDKAJOQMH-DMDPSCGWSA-N 2 2 235.375 2.690 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C[C@H]1C ZINC001172371161 974650642 /nfs/dbraw/zinc/65/06/42/974650642.db2.gz XIMMJSLPFLFJRD-MGPQQGTHSA-N 2 2 248.370 2.875 20 0 BFADLP CC[C@H](CC(C)C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001172395683 974753146 /nfs/dbraw/zinc/75/31/46/974753146.db2.gz HUDGCIIFFICRAA-CYBMUJFWSA-N 2 2 249.402 2.877 20 0 BFADLP CC[C@@H](CC(C)C)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001172396810 974755078 /nfs/dbraw/zinc/75/50/78/974755078.db2.gz OSGPUUBSCSTSOK-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@@H](CC(C)C)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001172396810 974755085 /nfs/dbraw/zinc/75/50/85/974755085.db2.gz OSGPUUBSCSTSOK-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001173276791 975226971 /nfs/dbraw/zinc/22/69/71/975226971.db2.gz RYGBDCATVDOPHX-QWHCGFSZSA-N 2 2 234.343 2.629 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001173276790 975228864 /nfs/dbraw/zinc/22/88/64/975228864.db2.gz RYGBDCATVDOPHX-OLZOCXBDSA-N 2 2 234.343 2.629 20 0 BFADLP CC[C@H]1CC[C@H](n2c(C)[nH+]c3c2CC[NH2+]CC3)C1 ZINC001173280031 975234004 /nfs/dbraw/zinc/23/40/04/975234004.db2.gz KKAJPZTVSPCRSE-STQMWFEESA-N 2 2 247.386 2.631 20 0 BFADLP CC[C@@H]1CC[C@H](n2c(C)[nH+]c3c2CC[NH2+]CC3)C1 ZINC001173280027 975237061 /nfs/dbraw/zinc/23/70/61/975237061.db2.gz KKAJPZTVSPCRSE-OLZOCXBDSA-N 2 2 247.386 2.631 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cs1 ZINC001333594951 975878714 /nfs/dbraw/zinc/87/87/14/975878714.db2.gz DGJCWGUYYUMIRG-SUZMYJTESA-N 2 2 238.400 2.533 20 0 BFADLP Cc1cc(C)c(Nc2cc[nH+]cc2C)c[nH+]1 ZINC001174537165 976820138 /nfs/dbraw/zinc/82/01/38/976820138.db2.gz ZYVWYEFZWAPYEU-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP CSc1cc(Nc2cc[nH+]cc2C)cc[nH+]1 ZINC001174537222 976822373 /nfs/dbraw/zinc/82/23/73/976822373.db2.gz CLTAVVZBPCWEIV-UHFFFAOYSA-N 2 2 231.324 2.672 20 0 BFADLP Cc1cc(NC2CCC(C[NH3+])CC2)c[nH+]c1C ZINC001335246139 976895357 /nfs/dbraw/zinc/89/53/57/976895357.db2.gz OLSIAEBIGABYSK-UHFFFAOYSA-N 2 2 233.359 2.628 20 0 BFADLP CCCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721549904 977236031 /nfs/dbraw/zinc/23/60/31/977236031.db2.gz IJRRXDPBPNCISE-CZUORRHYSA-N 2 2 246.398 2.951 20 0 BFADLP CCCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721549904 977236038 /nfs/dbraw/zinc/23/60/38/977236038.db2.gz IJRRXDPBPNCISE-CZUORRHYSA-N 2 2 246.398 2.951 20 0 BFADLP CCCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721549899 977237564 /nfs/dbraw/zinc/23/75/64/977237564.db2.gz IJRRXDPBPNCISE-BBRMVZONSA-N 2 2 246.398 2.951 20 0 BFADLP CCCC[C@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721549899 977237579 /nfs/dbraw/zinc/23/75/79/977237579.db2.gz IJRRXDPBPNCISE-BBRMVZONSA-N 2 2 246.398 2.951 20 0 BFADLP Cc1cc(C)c(Nc2ccc(C[NH3+])cc2)c[nH+]1 ZINC001175966736 977836933 /nfs/dbraw/zinc/83/69/33/977836933.db2.gz QNMPWWFHOGDIJT-UHFFFAOYSA-N 2 2 227.311 2.901 20 0 BFADLP CCOc1cc[nH+]cc1Nc1cc(C)[nH+]c(C)c1 ZINC001176054574 977904061 /nfs/dbraw/zinc/90/40/61/977904061.db2.gz HBOXNIBRFXYXFI-UHFFFAOYSA-N 2 2 243.310 2.658 20 0 BFADLP CC[C@@H](C[NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001177737521 978427613 /nfs/dbraw/zinc/42/76/13/978427613.db2.gz PESFKXARBVCNLI-KGLIPLIRSA-N 2 2 234.387 2.720 20 0 BFADLP CCc1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]c1 ZINC001337843477 978522904 /nfs/dbraw/zinc/52/29/04/978522904.db2.gz MQAYONLXAAZJJE-CQSZACIVSA-N 2 2 247.386 2.786 20 0 BFADLP CCc1ccc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]c1 ZINC001337843477 978522912 /nfs/dbraw/zinc/52/29/12/978522912.db2.gz MQAYONLXAAZJJE-CQSZACIVSA-N 2 2 247.386 2.786 20 0 BFADLP c1cn2c(cccc2C[NH+]2CCC3(CC3)CC2)[nH+]1 ZINC001233361376 978573804 /nfs/dbraw/zinc/57/38/04/978573804.db2.gz MENMDRIZWUPAMG-UHFFFAOYSA-N 2 2 241.338 2.710 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CC3CCC2CC3)[nH+]1 ZINC001233363155 978574766 /nfs/dbraw/zinc/57/47/66/978574766.db2.gz KILIMLRNQGUMCT-UHFFFAOYSA-N 2 2 241.338 2.709 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CC3CCC2CC3)[nH+]1 ZINC001233363155 978574769 /nfs/dbraw/zinc/57/47/69/978574769.db2.gz KILIMLRNQGUMCT-UHFFFAOYSA-N 2 2 241.338 2.709 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CC[C@@H]3CCC[C@H]3C2)c(C)[nH+]1 ZINC001234608865 978873055 /nfs/dbraw/zinc/87/30/55/978873055.db2.gz MCNMPJKMHQFJNW-STQMWFEESA-N 2 2 233.359 2.649 20 0 BFADLP Cc1[nH]c(C[N@H+]2CC[C@@H]3CCC[C@H]3C2)c(C)[nH+]1 ZINC001234608865 978873056 /nfs/dbraw/zinc/87/30/56/978873056.db2.gz MCNMPJKMHQFJNW-STQMWFEESA-N 2 2 233.359 2.649 20 0 BFADLP CC/C=C\CCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072701 978969364 /nfs/dbraw/zinc/96/93/64/978969364.db2.gz LENKTCKHMCHURG-LPUOJRKPSA-N 2 2 236.403 2.949 20 0 BFADLP CC/C=C\CCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072701 978969369 /nfs/dbraw/zinc/96/93/69/978969369.db2.gz LENKTCKHMCHURG-LPUOJRKPSA-N 2 2 236.403 2.949 20 0 BFADLP [NH3+][C@H](C[N@@H+]1CC[C@@H]2CCC[C@H]2C1)c1ccccc1 ZINC001235224679 978998805 /nfs/dbraw/zinc/99/88/05/978998805.db2.gz NTJWSAGKPWHUHQ-CWRNSKLLSA-N 2 2 244.382 2.808 20 0 BFADLP [NH3+][C@H](C[N@H+]1CC[C@@H]2CCC[C@H]2C1)c1ccccc1 ZINC001235224679 978998811 /nfs/dbraw/zinc/99/88/11/978998811.db2.gz NTJWSAGKPWHUHQ-CWRNSKLLSA-N 2 2 244.382 2.808 20 0 BFADLP CC/C=C\CCCCC[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235213834 979000202 /nfs/dbraw/zinc/00/02/02/979000202.db2.gz ONZTUDAIRBINHP-LPUOJRKPSA-N 2 2 236.403 2.807 20 0 BFADLP CC/C=C\CCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235213834 979000208 /nfs/dbraw/zinc/00/02/08/979000208.db2.gz ONZTUDAIRBINHP-LPUOJRKPSA-N 2 2 236.403 2.807 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235905542 979196584 /nfs/dbraw/zinc/19/65/84/979196584.db2.gz MMNUQNWYXNQFAQ-XJKSGUPXSA-N 2 2 246.398 2.951 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235905542 979196593 /nfs/dbraw/zinc/19/65/93/979196593.db2.gz MMNUQNWYXNQFAQ-XJKSGUPXSA-N 2 2 246.398 2.951 20 0 BFADLP CC/C=C\CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910000 979201853 /nfs/dbraw/zinc/20/18/53/979201853.db2.gz MPUHRGQQKFTHAG-KBIGUFJUSA-N 2 2 242.382 2.884 20 0 BFADLP CC/C=C\CCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001235910000 979201865 /nfs/dbraw/zinc/20/18/65/979201865.db2.gz MPUHRGQQKFTHAG-KBIGUFJUSA-N 2 2 242.382 2.884 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235982400 979255447 /nfs/dbraw/zinc/25/54/47/979255447.db2.gz VFTIOQFONRZNEL-CVEARBPZSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235982400 979255460 /nfs/dbraw/zinc/25/54/60/979255460.db2.gz VFTIOQFONRZNEL-CVEARBPZSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235993253 979283220 /nfs/dbraw/zinc/28/32/20/979283220.db2.gz QXRZUVOCQYVONX-CVEARBPZSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235993253 979283230 /nfs/dbraw/zinc/28/32/30/979283230.db2.gz QXRZUVOCQYVONX-CVEARBPZSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235993264 979286993 /nfs/dbraw/zinc/28/69/93/979286993.db2.gz QXRZUVOCQYVONX-JKSUJKDBSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235993264 979287000 /nfs/dbraw/zinc/28/70/00/979287000.db2.gz QXRZUVOCQYVONX-JKSUJKDBSA-N 2 2 244.382 2.733 20 0 BFADLP CC[N@H+](CC[NH2+]C)Cc1cccc2ccccc21 ZINC001236143152 979407210 /nfs/dbraw/zinc/40/72/10/979407210.db2.gz ILIJQRPILYKCSN-UHFFFAOYSA-N 2 2 242.366 2.881 20 0 BFADLP CC[N@@H+](CC[NH2+]C)Cc1cccc2ccccc21 ZINC001236143152 979407216 /nfs/dbraw/zinc/40/72/16/979407216.db2.gz ILIJQRPILYKCSN-UHFFFAOYSA-N 2 2 242.366 2.881 20 0 BFADLP CCc1ccccc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236209323 979448675 /nfs/dbraw/zinc/44/86/75/979448675.db2.gz WFAZRFGGAAKIDC-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1ccccc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236209323 979448677 /nfs/dbraw/zinc/44/86/77/979448677.db2.gz WFAZRFGGAAKIDC-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1cccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236209224 979448723 /nfs/dbraw/zinc/44/87/23/979448723.db2.gz ZQMXAKSOTXXJRJ-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1cccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236209224 979448730 /nfs/dbraw/zinc/44/87/30/979448730.db2.gz ZQMXAKSOTXXJRJ-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP Cc1ccc([C@@H]2CCCC[N@@H+]2CC[NH3+])cc1C ZINC001236243885 979463123 /nfs/dbraw/zinc/46/31/23/979463123.db2.gz HLSLLYPNYYEYOI-HNNXBMFYSA-N 2 2 232.371 2.789 20 0 BFADLP Cc1ccc([C@@H]2CCCC[N@H+]2CC[NH3+])cc1C ZINC001236243885 979463128 /nfs/dbraw/zinc/46/31/28/979463128.db2.gz HLSLLYPNYYEYOI-HNNXBMFYSA-N 2 2 232.371 2.789 20 0 BFADLP Cc1ccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236237562 979464777 /nfs/dbraw/zinc/46/47/77/979464777.db2.gz RSBUJYUJNWXGSZ-INIZCTEOSA-N 2 2 244.382 2.711 20 0 BFADLP Cc1ccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236237562 979464782 /nfs/dbraw/zinc/46/47/82/979464782.db2.gz RSBUJYUJNWXGSZ-INIZCTEOSA-N 2 2 244.382 2.711 20 0 BFADLP Nc1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)c[nH+]1 ZINC001236313076 979521795 /nfs/dbraw/zinc/52/17/95/979521795.db2.gz GKAGVFLJXCUDFD-CQSZACIVSA-N 2 2 239.322 2.755 20 0 BFADLP c1cn2c(cccc2-c2cccc3c2CC[NH2+]C3)[nH+]1 ZINC001236348580 979549853 /nfs/dbraw/zinc/54/98/53/979549853.db2.gz OGKNEKZXHLDOKK-UHFFFAOYSA-N 2 2 249.317 2.647 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236421657 979589841 /nfs/dbraw/zinc/58/98/41/979589841.db2.gz RQXFXVIRYXPWFZ-CJNGLKHVSA-N 2 2 246.398 2.951 20 0 BFADLP CCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC001236421657 979589848 /nfs/dbraw/zinc/58/98/48/979589848.db2.gz RQXFXVIRYXPWFZ-CJNGLKHVSA-N 2 2 246.398 2.951 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)s1 ZINC001236421189 979590850 /nfs/dbraw/zinc/59/08/50/979590850.db2.gz BWEYQIDPKZSIKY-GFCCVEGCSA-N 2 2 238.400 2.549 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(C)c(C)s1 ZINC001236421189 979590863 /nfs/dbraw/zinc/59/08/63/979590863.db2.gz BWEYQIDPKZSIKY-GFCCVEGCSA-N 2 2 238.400 2.549 20 0 BFADLP c1ccc(C[N@@H+](C[C@H]2CCC[NH2+]2)C2CCC2)cc1 ZINC001236441527 979599699 /nfs/dbraw/zinc/59/96/99/979599699.db2.gz LABCDZSNARQZKL-OAHLLOKOSA-N 2 2 244.382 2.793 20 0 BFADLP c1ccc(C[N@H+](C[C@H]2CCC[NH2+]2)C2CCC2)cc1 ZINC001236441527 979599707 /nfs/dbraw/zinc/59/97/07/979599707.db2.gz LABCDZSNARQZKL-OAHLLOKOSA-N 2 2 244.382 2.793 20 0 BFADLP C[C@@H]1C[C@@H]1C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236645925 979684440 /nfs/dbraw/zinc/68/44/40/979684440.db2.gz CJPNZVFZBOFNHP-NFAWXSAZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@@H]1C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236645925 979684444 /nfs/dbraw/zinc/68/44/44/979684444.db2.gz CJPNZVFZBOFNHP-NFAWXSAZSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1C(F)F ZINC001236868621 979772203 /nfs/dbraw/zinc/77/22/03/979772203.db2.gz OEJDOXAVDQPKSR-NSHDSACASA-N 2 2 242.313 2.793 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1C(F)F ZINC001236868621 979772211 /nfs/dbraw/zinc/77/22/11/979772211.db2.gz OEJDOXAVDQPKSR-NSHDSACASA-N 2 2 242.313 2.793 20 0 BFADLP CC/C=C\CC[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237019202 979803933 /nfs/dbraw/zinc/80/39/33/979803933.db2.gz FLJSGAZLUVLMEH-QGZUEGPWSA-N 2 2 244.382 2.728 20 0 BFADLP CC/C=C\CC[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC001237019202 979803938 /nfs/dbraw/zinc/80/39/38/979803938.db2.gz FLJSGAZLUVLMEH-QGZUEGPWSA-N 2 2 244.382 2.728 20 0 BFADLP [NH3+][C@@H]1CCc2c1cccc2-c1ccc2[nH+]ccn2c1 ZINC001240218841 981171042 /nfs/dbraw/zinc/17/10/42/981171042.db2.gz LXHRXFWCYCAYDI-OAHLLOKOSA-N 2 2 249.317 2.947 20 0 BFADLP c1cn2cc(-c3cccn4c[nH+]cc34)ccc2[nH+]1 ZINC001240218634 981171132 /nfs/dbraw/zinc/17/11/32/981171132.db2.gz HEJCVWJYVZUIQY-UHFFFAOYSA-N 2 2 234.262 2.649 20 0 BFADLP [NH3+]C1(c2cccc(-c3ccn4cc[nH+]c4c3)c2)CC1 ZINC001240513338 981438745 /nfs/dbraw/zinc/43/87/45/981438745.db2.gz MSSVJSUTALFWJP-UHFFFAOYSA-N 2 2 249.317 2.949 20 0 BFADLP CC(C)([NH3+])c1ccc(-c2cc[nH+]c(N)c2)cc1 ZINC001241169807 982312494 /nfs/dbraw/zinc/31/24/94/982312494.db2.gz CKDVSFPQEXHTQA-UHFFFAOYSA-N 2 2 227.311 2.525 20 0 BFADLP CC(C)([NH3+])c1ccccc1-c1cc[nH+]c(N)c1 ZINC001241170909 982324976 /nfs/dbraw/zinc/32/49/76/982324976.db2.gz XHLQDTUXZZMMCF-UHFFFAOYSA-N 2 2 227.311 2.525 20 0 BFADLP CC[NH+](CC)Cc1ccc(-c2c[nH+]cn2C)cc1 ZINC001241577898 982826811 /nfs/dbraw/zinc/82/68/11/982826811.db2.gz DEGQTLXOXGOWTL-UHFFFAOYSA-N 2 2 243.354 2.929 20 0 BFADLP Cc1cc(-c2ccc(C[NH3+])cc2)c2[nH+]ccn2c1 ZINC001241913793 983130474 /nfs/dbraw/zinc/13/04/74/983130474.db2.gz NXEBGJFKEKIHHW-UHFFFAOYSA-N 2 2 237.306 2.768 20 0 BFADLP Cc1cc2[nH+]ccn2cc1-c1ccc(C[NH3+])cc1 ZINC001241913760 983131420 /nfs/dbraw/zinc/13/14/20/983131420.db2.gz MEBJRFWOGMKRMS-UHFFFAOYSA-N 2 2 237.306 2.768 20 0 BFADLP CC(C)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201469521 983237876 /nfs/dbraw/zinc/23/78/76/983237876.db2.gz XDJAPGONMAVDRQ-UHFFFAOYSA-N 2 2 234.343 2.581 20 0 BFADLP CCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201723251 983426994 /nfs/dbraw/zinc/42/69/94/983426994.db2.gz UETVPPWYGKMRDA-ZDUSSCGKSA-N 2 2 234.343 2.643 20 0 BFADLP CCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201723251 983426997 /nfs/dbraw/zinc/42/69/97/983426997.db2.gz UETVPPWYGKMRDA-ZDUSSCGKSA-N 2 2 234.343 2.643 20 0 BFADLP CCCCCC[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201747315 983454749 /nfs/dbraw/zinc/45/47/49/983454749.db2.gz YFJBPUGQVWZLET-UHFFFAOYSA-N 2 2 221.348 2.587 20 0 BFADLP CCCCCC[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001201747315 983454755 /nfs/dbraw/zinc/45/47/55/983454755.db2.gz YFJBPUGQVWZLET-UHFFFAOYSA-N 2 2 221.348 2.587 20 0 BFADLP CCCCCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201756599 983459545 /nfs/dbraw/zinc/45/95/45/983459545.db2.gz OIKBVCBSZYZRGX-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001201756599 983459548 /nfs/dbraw/zinc/45/95/48/983459548.db2.gz OIKBVCBSZYZRGX-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001201756599 983459551 /nfs/dbraw/zinc/45/95/51/983459551.db2.gz OIKBVCBSZYZRGX-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001201756599 983459555 /nfs/dbraw/zinc/45/95/55/983459555.db2.gz OIKBVCBSZYZRGX-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CCC(CC)(C[NH3+])CNc1c[nH+]c(C)c(C)c1 ZINC001577052591 984187995 /nfs/dbraw/zinc/18/79/95/984187995.db2.gz YMJZMLRGPRUWOM-UHFFFAOYSA-N 2 2 235.375 2.875 20 0 BFADLP CCC[C@H](CC)[N@H+](C)C1CC[NH+](C)CC1 ZINC001257256588 984857720 /nfs/dbraw/zinc/85/77/20/984857720.db2.gz JMNXJMZOAXAQSI-LBPRGKRZSA-N 2 2 212.381 2.591 20 0 BFADLP CCC[C@H](CC)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001257256588 984857725 /nfs/dbraw/zinc/85/77/25/984857725.db2.gz JMNXJMZOAXAQSI-LBPRGKRZSA-N 2 2 212.381 2.591 20 0 BFADLP CCC[C@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001257326236 984896381 /nfs/dbraw/zinc/89/63/81/984896381.db2.gz UHSOCLMUUMIFPR-RYUDHWBXSA-N 2 2 221.348 2.711 20 0 BFADLP C[NH+](C)Cc1ccc(-c2ccc[nH+]c2N)cc1F ZINC001243477409 985035570 /nfs/dbraw/zinc/03/55/70/985035570.db2.gz MXBMREDIBOEJCA-UHFFFAOYSA-N 2 2 245.301 2.532 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)c1 ZINC001579576284 986096095 /nfs/dbraw/zinc/09/60/95/986096095.db2.gz HIYPFAZCDBASGM-KBMXLJTQSA-N 2 2 244.382 2.594 20 0 BFADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001202791641 986308082 /nfs/dbraw/zinc/30/80/82/986308082.db2.gz BGJVOAYDITWAMM-CQSZACIVSA-N 2 2 246.354 2.643 20 0 BFADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC2CCC2)C1 ZINC001202791641 986308095 /nfs/dbraw/zinc/30/80/95/986308095.db2.gz BGJVOAYDITWAMM-CQSZACIVSA-N 2 2 246.354 2.643 20 0 BFADLP CNc1cc(-c2ccc([C@H](C)[NH3+])cc2)cc[nH+]1 ZINC001244972226 986547126 /nfs/dbraw/zinc/54/71/26/986547126.db2.gz LBGSABJGDXMYFU-JTQLQIEISA-N 2 2 227.311 2.810 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000381611056 986738740 /nfs/dbraw/zinc/73/87/40/986738740.db2.gz SISQLOWEDDYRJD-MGPQQGTHSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000381611056 986738755 /nfs/dbraw/zinc/73/87/55/986738755.db2.gz SISQLOWEDDYRJD-MGPQQGTHSA-N 2 2 224.392 2.637 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001255316914 986909253 /nfs/dbraw/zinc/90/92/53/986909253.db2.gz HXZKMKBSKXUIOI-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001255316914 986909266 /nfs/dbraw/zinc/90/92/66/986909266.db2.gz HXZKMKBSKXUIOI-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)C[NH2+]1 ZINC001246064057 987353459 /nfs/dbraw/zinc/35/34/59/987353459.db2.gz FSDKTFHBDCWDAT-DOMZBBRYSA-N 2 2 240.350 2.680 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246073935 987362986 /nfs/dbraw/zinc/36/29/86/987362986.db2.gz BIARVJRHYGZHLV-JSGCOSHPSA-N 2 2 220.360 2.855 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@H](C[NH3+])c2ccccc2)C1 ZINC001246081967 987377828 /nfs/dbraw/zinc/37/78/28/987377828.db2.gz UCWFPWVSRDHBSD-BPLDGKMQSA-N 2 2 232.371 2.855 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246087632 987391097 /nfs/dbraw/zinc/39/10/97/987391097.db2.gz PMPFAARYWOKKKS-AVGNSLFASA-N 2 2 230.371 2.635 20 0 BFADLP CCC(CC)([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC001246185039 987558963 /nfs/dbraw/zinc/55/89/63/987558963.db2.gz RAXDEZCNTCFOML-CQSZACIVSA-N 2 2 232.371 2.653 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246204351 987597805 /nfs/dbraw/zinc/59/78/05/987597805.db2.gz GVAQXIIFFQTPMZ-RFQIPJPRSA-N 2 2 244.398 2.737 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246204352 987598716 /nfs/dbraw/zinc/59/87/16/987598716.db2.gz GVAQXIIFFQTPMZ-YIYPIFLZSA-N 2 2 244.398 2.737 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@@H]2CC=CC[C@H]2C)CC1 ZINC001473874172 987599310 /nfs/dbraw/zinc/59/93/10/987599310.db2.gz YRMRKPQIEUFVTI-HUUCEWRRSA-N 2 2 236.403 2.663 20 0 BFADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246220378 987615977 /nfs/dbraw/zinc/61/59/77/987615977.db2.gz JOSDHQCYLYLZJX-SBJFKYEJSA-N 2 2 238.419 2.789 20 0 BFADLP CC(C)[C@@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1ccccc1 ZINC001246231216 987628277 /nfs/dbraw/zinc/62/82/77/987628277.db2.gz CTRMVXUKCGOTIP-BPLDGKMQSA-N 2 2 232.371 2.724 20 0 BFADLP Cc1ccc(C(C)(C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246237838 987636069 /nfs/dbraw/zinc/63/60/69/987636069.db2.gz INRQSUDQNJQWKU-HNNXBMFYSA-N 2 2 246.398 2.962 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1cccc(C)c1 ZINC001246262617 987657920 /nfs/dbraw/zinc/65/79/20/987657920.db2.gz BPDOVUWHTNQCQP-VHDGCEQUSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246298888 987693434 /nfs/dbraw/zinc/69/34/34/987693434.db2.gz DBSYDHOBTCRHMZ-VXGBXAGGSA-N 2 2 248.345 2.545 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccncc1 ZINC001246322486 987728703 /nfs/dbraw/zinc/72/87/03/987728703.db2.gz BAHGUYHKZAPHQX-SNPRPXQTSA-N 2 2 247.386 2.653 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccoc3c2)C[NH2+]1 ZINC001246330923 987738256 /nfs/dbraw/zinc/73/82/56/987738256.db2.gz ZZOWGRKINLJMNJ-RISCZKNCSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ccoc3c2)C[NH2+]1 ZINC001246330919 987739227 /nfs/dbraw/zinc/73/92/27/987739227.db2.gz ZZOWGRKINLJMNJ-BXUZGUMPSA-N 2 2 244.338 2.663 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+][C@H](C)C2)cc1 ZINC001246369653 987770324 /nfs/dbraw/zinc/77/03/24/987770324.db2.gz CHXFRDPPPBRBLH-LALPHHSUSA-N 2 2 232.371 2.650 20 0 BFADLP C[C@@H]1C[N@@H+]([C@@H]2CCCC[NH2+]C2)Cc2ccccc21 ZINC001246549030 987939097 /nfs/dbraw/zinc/93/90/97/987939097.db2.gz PIAIZUOXNVGJIU-UKRRQHHQSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1C[N@H+]([C@@H]2CCCC[NH2+]C2)Cc2ccccc21 ZINC001246549030 987939107 /nfs/dbraw/zinc/93/91/07/987939107.db2.gz PIAIZUOXNVGJIU-UKRRQHHQSA-N 2 2 244.382 2.748 20 0 BFADLP CCC[C@H](C)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246621075 988269926 /nfs/dbraw/zinc/26/99/26/988269926.db2.gz SOBOOKFBIWDFIE-RCBQFDQVSA-N 2 2 244.382 2.746 20 0 BFADLP CCC[C@H](C)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246621075 988269942 /nfs/dbraw/zinc/26/99/42/988269942.db2.gz SOBOOKFBIWDFIE-RCBQFDQVSA-N 2 2 244.382 2.746 20 0 BFADLP CC(C)=CCC[C@@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246660386 988392102 /nfs/dbraw/zinc/39/21/02/988392102.db2.gz SUWFWYVQEAXXQY-HZSPNIEDSA-N 2 2 222.376 2.544 20 0 BFADLP CC(C)=CCC[C@@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246660386 988392112 /nfs/dbraw/zinc/39/21/12/988392112.db2.gz SUWFWYVQEAXXQY-HZSPNIEDSA-N 2 2 222.376 2.544 20 0 BFADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001323669111 988580662 /nfs/dbraw/zinc/58/06/62/988580662.db2.gz QHHCAGJJXJEVKJ-CABCVRRESA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@@H](C)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001323669111 988580673 /nfs/dbraw/zinc/58/06/73/988580673.db2.gz QHHCAGJJXJEVKJ-CABCVRRESA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@@H](C)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001323669111 988580685 /nfs/dbraw/zinc/58/06/85/988580685.db2.gz QHHCAGJJXJEVKJ-CABCVRRESA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@@H](C)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001323669111 988580693 /nfs/dbraw/zinc/58/06/93/988580693.db2.gz QHHCAGJJXJEVKJ-CABCVRRESA-N 2 2 238.419 2.839 20 0 BFADLP C1[C@H]2C[NH2+]C[C@H]2[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246919523 988731656 /nfs/dbraw/zinc/73/16/56/988731656.db2.gz NKZSBZOCUINOBX-UKRRQHHQSA-N 2 2 248.414 2.783 20 0 BFADLP C1[C@H]2C[NH2+]C[C@H]2[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246919523 988731671 /nfs/dbraw/zinc/73/16/71/988731671.db2.gz NKZSBZOCUINOBX-UKRRQHHQSA-N 2 2 248.414 2.783 20 0 BFADLP CC[C@@H](C)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246981722 988809358 /nfs/dbraw/zinc/80/93/58/988809358.db2.gz XODPVMRMGHYRRK-OCCSQVGLSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@@H](C)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246981722 988809361 /nfs/dbraw/zinc/80/93/61/988809361.db2.gz XODPVMRMGHYRRK-OCCSQVGLSA-N 2 2 224.392 2.782 20 0 BFADLP C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)[NH+]1CCCC1 ZINC001119733765 989372867 /nfs/dbraw/zinc/37/28/67/989372867.db2.gz UDQTWAJGRSBBEP-LSDHHAIUSA-N 2 2 236.403 2.594 20 0 BFADLP C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)[NH+]1CCCC1 ZINC001119733765 989372877 /nfs/dbraw/zinc/37/28/77/989372877.db2.gz UDQTWAJGRSBBEP-LSDHHAIUSA-N 2 2 236.403 2.594 20 0 BFADLP CSCC[C@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258212176 991133072 /nfs/dbraw/zinc/13/30/72/991133072.db2.gz COBNSRQEXMAYHJ-NSHDSACASA-N 2 2 249.383 2.566 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C)CC(C)(C)SC ZINC001258319205 991243370 /nfs/dbraw/zinc/24/33/70/991243370.db2.gz JMLKLOGWFJDERU-GFCCVEGCSA-N 2 2 246.464 2.838 20 0 BFADLP CC(C)C[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000083377654 991277305 /nfs/dbraw/zinc/27/73/05/991277305.db2.gz SUHCBZGWOFRCOI-UHFFFAOYSA-N 2 2 247.386 2.506 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001560325481 991454562 /nfs/dbraw/zinc/45/45/62/991454562.db2.gz LCILEIJBXRYCTH-QDMKHBRRSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001560325481 991454566 /nfs/dbraw/zinc/45/45/66/991454566.db2.gz LCILEIJBXRYCTH-QDMKHBRRSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258602656 991513028 /nfs/dbraw/zinc/51/30/28/991513028.db2.gz OFOKSKBIXHFYKE-CYBMUJFWSA-N 2 2 224.392 2.591 20 0 BFADLP C[N@@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258602656 991513041 /nfs/dbraw/zinc/51/30/41/991513041.db2.gz OFOKSKBIXHFYKE-CYBMUJFWSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC001258650277 991587412 /nfs/dbraw/zinc/58/74/12/991587412.db2.gz YZVFKMUUXYORTN-GDBMZVCRSA-N 2 2 248.414 2.938 20 0 BFADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC001258650279 991588597 /nfs/dbraw/zinc/58/85/97/991588597.db2.gz YZVFKMUUXYORTN-ZBFHGGJFSA-N 2 2 248.414 2.938 20 0 BFADLP CCC[C@H](Cc1ccccc1)[NH2+]CC1C[NH+](C)C1 ZINC001258652529 991588838 /nfs/dbraw/zinc/58/88/38/991588838.db2.gz XTRNUTBLBIWCBM-MRXNPFEDSA-N 2 2 246.398 2.549 20 0 BFADLP CCC[NH+]1CCC([N@@H+]2CC3CCC2CC3)CC1 ZINC001258775268 991742327 /nfs/dbraw/zinc/74/23/27/991742327.db2.gz HZMBSMIQRCOSJZ-UHFFFAOYSA-N 2 2 236.403 2.735 20 0 BFADLP CCC[NH+]1CCC([N@H+]2CC3CCC2CC3)CC1 ZINC001258775268 991742338 /nfs/dbraw/zinc/74/23/38/991742338.db2.gz HZMBSMIQRCOSJZ-UHFFFAOYSA-N 2 2 236.403 2.735 20 0 BFADLP CC(C)C1CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001258797636 991791684 /nfs/dbraw/zinc/79/16/84/991791684.db2.gz FTYQGPOXHSQVLI-UHFFFAOYSA-N 2 2 235.375 2.772 20 0 BFADLP C[C@@]1([NH2+][C@@H]2CCC[NH2+]C2)CCCc2ccccc21 ZINC001573625060 992653542 /nfs/dbraw/zinc/65/35/42/992653542.db2.gz HFXXYYIKXWSWKE-GDBMZVCRSA-N 2 2 244.382 2.580 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001262195034 992787851 /nfs/dbraw/zinc/78/78/51/992787851.db2.gz MDWJMPVQBXWROM-IXLVIVEVSA-N 2 2 230.355 2.511 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1/C=C/c1ccccc1 ZINC001262195034 992787864 /nfs/dbraw/zinc/78/78/64/992787864.db2.gz MDWJMPVQBXWROM-IXLVIVEVSA-N 2 2 230.355 2.511 20 0 BFADLP C[NH+]1CC(C[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000379432439 993240790 /nfs/dbraw/zinc/24/07/90/993240790.db2.gz HXUVGZOPWQXVAI-UHFFFAOYSA-N 2 2 236.403 2.641 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000385166544 993650985 /nfs/dbraw/zinc/65/09/85/993650985.db2.gz UANUQXHWCWJFSR-DOMZBBRYSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000385166544 993650988 /nfs/dbraw/zinc/65/09/88/993650988.db2.gz UANUQXHWCWJFSR-DOMZBBRYSA-N 2 2 232.371 2.732 20 0 BFADLP Cc1[nH]c(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)c(C)[nH+]1 ZINC000724792860 994077171 /nfs/dbraw/zinc/07/71/71/994077171.db2.gz HCWBSTUTVLKZTF-GIPNMCIBSA-N 2 2 235.375 2.941 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+]CCn1cc[nH+]c1 ZINC000820547651 994374002 /nfs/dbraw/zinc/37/40/02/994374002.db2.gz MMNWQGSSDHPZLX-SDNWHVSQSA-N 2 2 241.338 2.576 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC[NH+](C)C)c1 ZINC000148332771 177915561 /nfs/dbraw/zinc/91/55/61/177915561.db2.gz SMAWXPSOGHFAAL-CYBMUJFWSA-N 2 2 220.360 2.516 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000149370467 192025976 /nfs/dbraw/zinc/02/59/76/192025976.db2.gz ACWSRTDPTVWHIE-INIZCTEOSA-N 2 2 244.382 2.668 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@H]1CCC[NH2+]1 ZINC000422941879 398159110 /nfs/dbraw/zinc/15/91/10/398159110.db2.gz VXMXHLSOZOMMOI-COLVAYQJSA-N 2 2 248.345 2.543 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422941895 398159409 /nfs/dbraw/zinc/15/94/09/398159409.db2.gz VYMSABXLXXOGJM-DAXOMENPSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422942579 398159458 /nfs/dbraw/zinc/15/94/58/398159458.db2.gz JGIMFOCLEIAZDG-FZMZJTMJSA-N 2 2 248.345 2.545 20 0 BFADLP C[N@H+](Cc1ccc(Cl)cc1)[C@H](C[NH3+])C1CC1 ZINC000042437707 398172626 /nfs/dbraw/zinc/17/26/26/398172626.db2.gz AVNRZPOTFNAJRP-CYBMUJFWSA-N 2 2 238.762 2.509 20 0 BFADLP C[N@@H+](Cc1ccc(Cl)cc1)[C@H](C[NH3+])C1CC1 ZINC000042437707 398172629 /nfs/dbraw/zinc/17/26/29/398172629.db2.gz AVNRZPOTFNAJRP-CYBMUJFWSA-N 2 2 238.762 2.509 20 0 BFADLP Cc1cc(F)ccc1C[NH2+]CCCn1cc[nH+]c1 ZINC000050569276 178087577 /nfs/dbraw/zinc/08/75/77/178087577.db2.gz YJPLKCLQHZNKJH-UHFFFAOYSA-N 2 2 247.317 2.511 20 0 BFADLP CC(C)[C@H](C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000339407075 187330042 /nfs/dbraw/zinc/33/00/42/187330042.db2.gz KUWGSNZKYMNWNU-INIZCTEOSA-N 2 2 246.398 2.722 20 0 BFADLP CC(C)[C@H](C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000339407075 187330044 /nfs/dbraw/zinc/33/00/44/187330044.db2.gz KUWGSNZKYMNWNU-INIZCTEOSA-N 2 2 246.398 2.722 20 0 BFADLP CCC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426746519 398221079 /nfs/dbraw/zinc/22/10/79/398221079.db2.gz YSMOFUNFWGCPCH-UHFFFAOYSA-N 2 2 226.408 2.983 20 0 BFADLP CCC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426746519 398221082 /nfs/dbraw/zinc/22/10/82/398221082.db2.gz YSMOFUNFWGCPCH-UHFFFAOYSA-N 2 2 226.408 2.983 20 0 BFADLP CCC(CC)C[NH2+]CC[NH+]1CCCCCC1 ZINC000040433263 168359869 /nfs/dbraw/zinc/35/98/69/168359869.db2.gz DPZHWTPKDCMWSM-UHFFFAOYSA-N 2 2 226.408 2.888 20 0 BFADLP CCC(CC)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000377114349 168361547 /nfs/dbraw/zinc/36/15/47/168361547.db2.gz QCZZMOWMFGSJJR-UHFFFAOYSA-N 2 2 235.375 2.745 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000576544686 365623554 /nfs/dbraw/zinc/62/35/54/365623554.db2.gz RXMUBVBYQYCNSB-HUUCEWRRSA-N 2 2 246.398 2.722 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000576544686 365623562 /nfs/dbraw/zinc/62/35/62/365623562.db2.gz RXMUBVBYQYCNSB-HUUCEWRRSA-N 2 2 246.398 2.722 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000576648799 365651240 /nfs/dbraw/zinc/65/12/40/365651240.db2.gz FTJRWDCNWKKQBQ-CHWSQXEVSA-N 2 2 235.375 2.787 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000344359635 136231639 /nfs/dbraw/zinc/23/16/39/136231639.db2.gz PVTRTPYNVWXJHE-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000344359635 136231640 /nfs/dbraw/zinc/23/16/40/136231640.db2.gz PVTRTPYNVWXJHE-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000251316976 398268913 /nfs/dbraw/zinc/26/89/13/398268913.db2.gz LMXSWTQLFLXVQH-IHRRRGAJSA-N 2 2 226.408 2.741 20 0 BFADLP CCCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166885902 361857523 /nfs/dbraw/zinc/85/75/23/361857523.db2.gz ZJKDBMOOLISFPO-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166885902 361857526 /nfs/dbraw/zinc/85/75/26/361857526.db2.gz ZJKDBMOOLISFPO-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)o2)CC1 ZINC000035013364 342733418 /nfs/dbraw/zinc/73/34/18/342733418.db2.gz AOWNMWBTSNGMIH-LBPRGKRZSA-N 2 2 236.359 2.723 20 0 BFADLP Cc1scc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1C ZINC000400812618 398280560 /nfs/dbraw/zinc/28/05/60/398280560.db2.gz YWPDGURTIYUOPE-MFKMUULPSA-N 2 2 238.400 2.595 20 0 BFADLP CCC(CC)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000310035875 168388860 /nfs/dbraw/zinc/38/88/60/168388860.db2.gz UEOBLLPQORBMMI-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000310035875 168388863 /nfs/dbraw/zinc/38/88/63/168388863.db2.gz UEOBLLPQORBMMI-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020201400 168387893 /nfs/dbraw/zinc/38/78/93/168387893.db2.gz RRHLMWWQEVDXAJ-ZDUSSCGKSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040671845 538972101 /nfs/dbraw/zinc/97/21/01/538972101.db2.gz XPODCRROLRGTBJ-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671845 538972102 /nfs/dbraw/zinc/97/21/02/538972102.db2.gz XPODCRROLRGTBJ-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040671826 538972139 /nfs/dbraw/zinc/97/21/39/538972139.db2.gz AIMSTFVSBZXAAD-GDBMZVCRSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040671826 538972140 /nfs/dbraw/zinc/97/21/40/538972140.db2.gz AIMSTFVSBZXAAD-GDBMZVCRSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040671851 538972185 /nfs/dbraw/zinc/97/21/85/538972185.db2.gz NDQGFOHXXDQTQM-GJZGRUSLSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040671851 538972187 /nfs/dbraw/zinc/97/21/87/538972187.db2.gz NDQGFOHXXDQTQM-GJZGRUSLSA-N 2 2 232.371 2.822 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040671846 538972230 /nfs/dbraw/zinc/97/22/30/538972230.db2.gz XPODCRROLRGTBJ-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671846 538972232 /nfs/dbraw/zinc/97/22/32/538972232.db2.gz XPODCRROLRGTBJ-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000040672989 538972681 /nfs/dbraw/zinc/97/26/81/538972681.db2.gz ZPQGHFIEKQXNCW-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000040672989 538972682 /nfs/dbraw/zinc/97/26/82/538972682.db2.gz ZPQGHFIEKQXNCW-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC(CCC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672335 538972853 /nfs/dbraw/zinc/97/28/53/538972853.db2.gz INYPJYFODGNSCY-CYBMUJFWSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC(CCC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672335 538972854 /nfs/dbraw/zinc/97/28/54/538972854.db2.gz INYPJYFODGNSCY-CYBMUJFWSA-N 2 2 212.381 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040672777 538973011 /nfs/dbraw/zinc/97/30/11/538973011.db2.gz WNJXJWDBEVJKHH-PCKAHOCUSA-N 2 2 244.382 2.616 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040672777 538973013 /nfs/dbraw/zinc/97/30/13/538973013.db2.gz WNJXJWDBEVJKHH-PCKAHOCUSA-N 2 2 244.382 2.616 20 0 BFADLP Cc1[nH+]cc(-c2ccc(F)c(C[NH+](C)C)c2)n1C ZINC000630052640 361920766 /nfs/dbraw/zinc/92/07/66/361920766.db2.gz IBZIZCPBCFKTOF-UHFFFAOYSA-N 2 2 247.317 2.596 20 0 BFADLP C[C@@H](C[NH2+]CCCCn1cc[nH+]c1)C(C)(C)C ZINC000379729205 538979648 /nfs/dbraw/zinc/97/96/48/538979648.db2.gz GWJIAEQDQOPGPZ-ZDUSSCGKSA-N 2 2 237.391 2.935 20 0 BFADLP C[C@@H](CC[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000043534266 538981511 /nfs/dbraw/zinc/98/15/11/538981511.db2.gz OOVBOHWQNOSCLI-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H](CC[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000043534266 538981513 /nfs/dbraw/zinc/98/15/13/538981513.db2.gz OOVBOHWQNOSCLI-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000335633810 136241800 /nfs/dbraw/zinc/24/18/00/136241800.db2.gz DAGSZMZSHSVCRF-SMDDNHRTSA-N 2 2 244.338 2.520 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000037083502 342918259 /nfs/dbraw/zinc/91/82/59/342918259.db2.gz DHQOCCXTTLHPIS-OLZOCXBDSA-N 2 2 212.381 2.624 20 0 BFADLP CC[C@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000037083502 342918260 /nfs/dbraw/zinc/91/82/60/342918260.db2.gz DHQOCCXTTLHPIS-OLZOCXBDSA-N 2 2 212.381 2.624 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C(/C)Cl)[C@H](C)C1 ZINC000528417920 398326704 /nfs/dbraw/zinc/32/67/04/398326704.db2.gz VCMWOGSXCZWWHT-AZPVHRIVSA-N 2 2 244.810 2.791 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C(/C)Cl)[C@H](C)C1 ZINC000528417920 398326706 /nfs/dbraw/zinc/32/67/06/398326706.db2.gz VCMWOGSXCZWWHT-AZPVHRIVSA-N 2 2 244.810 2.791 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C(/C)Cl)[C@H](C)C1 ZINC000528417920 398326709 /nfs/dbraw/zinc/32/67/09/398326709.db2.gz VCMWOGSXCZWWHT-AZPVHRIVSA-N 2 2 244.810 2.791 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C(/C)Cl)[C@H](C)C1 ZINC000528417920 398326710 /nfs/dbraw/zinc/32/67/10/398326710.db2.gz VCMWOGSXCZWWHT-AZPVHRIVSA-N 2 2 244.810 2.791 20 0 BFADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000235145133 259329782 /nfs/dbraw/zinc/32/97/82/259329782.db2.gz YNFUVQOJGSBUST-YUMQZZPRSA-N 2 2 247.169 2.991 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000300139753 398337573 /nfs/dbraw/zinc/33/75/73/398337573.db2.gz OQWNJZABINHQEA-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000300139753 398337574 /nfs/dbraw/zinc/33/75/74/398337574.db2.gz OQWNJZABINHQEA-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000313259877 259332150 /nfs/dbraw/zinc/33/21/50/259332150.db2.gz FYNFZKPSVFPFFQ-ZIAGYGMSSA-N 2 2 247.386 2.521 20 0 BFADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCC1 ZINC000313268173 259332628 /nfs/dbraw/zinc/33/26/28/259332628.db2.gz VFKTZBBPBMPMHS-CQSZACIVSA-N 2 2 235.375 2.521 20 0 BFADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCC1 ZINC000313268171 259332763 /nfs/dbraw/zinc/33/27/63/259332763.db2.gz VFKTZBBPBMPMHS-AWEZNQCLSA-N 2 2 235.375 2.521 20 0 BFADLP CCC[C@H]([NH2+]CC[NH+](C)C)c1ccccc1 ZINC000019484205 342949465 /nfs/dbraw/zinc/94/94/65/342949465.db2.gz MZOMBCWKJDMNRL-AWEZNQCLSA-N 2 2 220.360 2.679 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000301647269 187205642 /nfs/dbraw/zinc/20/56/42/187205642.db2.gz QBWJJYQAKNGVHH-UONOGXRCSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000301647269 187205645 /nfs/dbraw/zinc/20/56/45/187205645.db2.gz QBWJJYQAKNGVHH-UONOGXRCSA-N 2 2 247.386 2.922 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000020125738 342970709 /nfs/dbraw/zinc/97/07/09/342970709.db2.gz CFIOQNRRNAXEDW-AWEZNQCLSA-N 2 2 248.414 2.938 20 0 BFADLP Cc1[nH+]ccn1CC[NH+]1CCC(C)(C2CC2)CC1 ZINC000352177096 136263526 /nfs/dbraw/zinc/26/35/26/136263526.db2.gz YCSYDCSZCFIPKT-UHFFFAOYSA-N 2 2 247.386 2.704 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cscn1 ZINC000022863076 343056068 /nfs/dbraw/zinc/05/60/68/343056068.db2.gz GWBUQZAXAHFHBA-NSHDSACASA-N 2 2 241.404 2.526 20 0 BFADLP Cn1cc[nH+]c1-c1cccc(C[NH2+]CC2CC2)c1 ZINC000360056424 187226890 /nfs/dbraw/zinc/22/68/90/187226890.db2.gz IMSGPSBCLKQQDW-UHFFFAOYSA-N 2 2 241.338 2.587 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448032121 259349259 /nfs/dbraw/zinc/34/92/59/259349259.db2.gz WANDWUXPMNMDPE-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448032121 259349261 /nfs/dbraw/zinc/34/92/61/259349261.db2.gz WANDWUXPMNMDPE-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[C@@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000625275770 343215214 /nfs/dbraw/zinc/21/52/14/343215214.db2.gz KHOXDNPSSSLIJE-QWHCGFSZSA-N 2 2 245.370 2.614 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C(C)C ZINC000037167039 187251252 /nfs/dbraw/zinc/25/12/52/187251252.db2.gz HNQPXCUTEFLOTG-OLZOCXBDSA-N 2 2 214.397 2.597 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000070600273 343333884 /nfs/dbraw/zinc/33/38/84/343333884.db2.gz YWAZGUGDRCGURX-RKDXNWHRSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)s1 ZINC000070600273 343333886 /nfs/dbraw/zinc/33/38/86/343333886.db2.gz YWAZGUGDRCGURX-RKDXNWHRSA-N 2 2 244.791 2.713 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@H]1CC1(C)C ZINC000397781004 262933684 /nfs/dbraw/zinc/93/36/84/262933684.db2.gz OKLWNTIBTZMUHH-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)[NH+](C)C ZINC000038088031 343369787 /nfs/dbraw/zinc/36/97/87/343369787.db2.gz DNUGOBLYMVUESO-SWLSCSKDSA-N 2 2 232.371 2.604 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccs1 ZINC000037157793 343337465 /nfs/dbraw/zinc/33/74/65/343337465.db2.gz DOHLSZGCNITSFT-QWRGUYRKSA-N 2 2 235.356 2.684 20 0 BFADLP C[C@H]([NH2+]c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000037774233 343354441 /nfs/dbraw/zinc/35/44/41/343354441.db2.gz WNSQRHKJIIMVJM-LBPRGKRZSA-N 2 2 248.370 2.837 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H]2C(F)F)c[nH+]1 ZINC000348999933 136315177 /nfs/dbraw/zinc/31/51/77/136315177.db2.gz GGTIBPBNSQXYML-VXGBXAGGSA-N 2 2 240.297 2.566 20 0 BFADLP CCC[C@@H](C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349413206 136345160 /nfs/dbraw/zinc/34/51/60/136345160.db2.gz DEMGPCYSLKJZPP-CYBMUJFWSA-N 2 2 223.364 2.641 20 0 BFADLP CCC[C@@H](C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349413206 136345161 /nfs/dbraw/zinc/34/51/61/136345161.db2.gz DEMGPCYSLKJZPP-CYBMUJFWSA-N 2 2 223.364 2.641 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349295447 136338044 /nfs/dbraw/zinc/33/80/44/136338044.db2.gz JKSHKFVHJUUBLR-KGLIPLIRSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000349295447 136338045 /nfs/dbraw/zinc/33/80/45/136338045.db2.gz JKSHKFVHJUUBLR-KGLIPLIRSA-N 2 2 236.403 2.593 20 0 BFADLP C(C1CCCCCC1)[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349331867 136342137 /nfs/dbraw/zinc/34/21/37/136342137.db2.gz MNCABHOWSLJKIU-UHFFFAOYSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCCCC1)[N@H+]1CC[NH+]2CCC1CC2 ZINC000349331867 136342138 /nfs/dbraw/zinc/34/21/38/136342138.db2.gz MNCABHOWSLJKIU-UHFFFAOYSA-N 2 2 236.403 2.737 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@H]1C)CCC2 ZINC000350067041 136353891 /nfs/dbraw/zinc/35/38/91/136353891.db2.gz CUTICTJVVXLJFR-KWCYVHTRSA-N 2 2 247.386 2.847 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000309169409 343483426 /nfs/dbraw/zinc/48/34/26/343483426.db2.gz KRDSHRWTIMXLOL-RWMBFGLXSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000309169409 343483429 /nfs/dbraw/zinc/48/34/29/343483429.db2.gz KRDSHRWTIMXLOL-RWMBFGLXSA-N 2 2 212.381 2.637 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CCCCCC1)CC2 ZINC000335858639 344033718 /nfs/dbraw/zinc/03/37/18/344033718.db2.gz MXHBHSOGWRGLOL-CYBMUJFWSA-N 2 2 233.359 2.510 20 0 BFADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1C[C@@H]1C ZINC000321731756 343528486 /nfs/dbraw/zinc/52/84/86/343528486.db2.gz XXGWZPITWHNWCC-IHRRRGAJSA-N 2 2 235.375 2.688 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000584095306 343538124 /nfs/dbraw/zinc/53/81/24/343538124.db2.gz QQVQFRXWWZPBQN-RYUDHWBXSA-N 2 2 226.408 2.883 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000584095306 343538126 /nfs/dbraw/zinc/53/81/26/343538126.db2.gz QQVQFRXWWZPBQN-RYUDHWBXSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000070975789 343579787 /nfs/dbraw/zinc/57/97/87/343579787.db2.gz XYGRWGOQXOSFJU-MRXNPFEDSA-N 2 2 246.398 2.692 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000070975789 343579788 /nfs/dbraw/zinc/57/97/88/343579788.db2.gz XYGRWGOQXOSFJU-MRXNPFEDSA-N 2 2 246.398 2.692 20 0 BFADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000577037251 365780107 /nfs/dbraw/zinc/78/01/07/365780107.db2.gz MFPNBVCDGHDNAJ-HIFRSBDPSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000577037251 365780115 /nfs/dbraw/zinc/78/01/15/365780115.db2.gz MFPNBVCDGHDNAJ-HIFRSBDPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccsc1 ZINC000050338259 343613754 /nfs/dbraw/zinc/61/37/54/343613754.db2.gz NGFSOWVFNHFLRL-AAEUAGOBSA-N 2 2 238.400 2.883 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccsc1 ZINC000050338259 343613755 /nfs/dbraw/zinc/61/37/55/343613755.db2.gz NGFSOWVFNHFLRL-AAEUAGOBSA-N 2 2 238.400 2.883 20 0 BFADLP C[C@H]1CCC[C@H](C[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625434988 343736054 /nfs/dbraw/zinc/73/60/54/343736054.db2.gz CINWOROCYGLPJN-RYUDHWBXSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@H]1CCC[C@H](C[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625434988 343736057 /nfs/dbraw/zinc/73/60/57/343736057.db2.gz CINWOROCYGLPJN-RYUDHWBXSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625438852 343740630 /nfs/dbraw/zinc/74/06/30/343740630.db2.gz SPCKRUGWZYTQNN-OLZOCXBDSA-N 2 2 247.386 2.984 20 0 BFADLP C[C@@H]1CCC[C@@H](CC[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625438852 343740631 /nfs/dbraw/zinc/74/06/31/343740631.db2.gz SPCKRUGWZYTQNN-OLZOCXBDSA-N 2 2 247.386 2.984 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000576648809 343756190 /nfs/dbraw/zinc/75/61/90/343756190.db2.gz FTJRWDCNWKKQBQ-STQMWFEESA-N 2 2 235.375 2.787 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348089696 537830250 /nfs/dbraw/zinc/83/02/50/537830250.db2.gz UIZRFZXRTZYIEQ-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348089696 537830259 /nfs/dbraw/zinc/83/02/59/537830259.db2.gz UIZRFZXRTZYIEQ-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1CCCC1 ZINC000387683475 347015517 /nfs/dbraw/zinc/01/55/17/347015517.db2.gz SSOQUSVQPXJWQO-CQSZACIVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1CCCC1 ZINC000387683475 347015520 /nfs/dbraw/zinc/01/55/20/347015520.db2.gz SSOQUSVQPXJWQO-CQSZACIVSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCCC12CC2 ZINC000573339729 344103049 /nfs/dbraw/zinc/10/30/49/344103049.db2.gz VSHPSQGKHVDCOH-CQSZACIVSA-N 2 2 230.355 2.855 20 0 BFADLP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000348128888 537838812 /nfs/dbraw/zinc/83/88/12/537838812.db2.gz WGXRPMQRFACWGL-NUEKZKHPSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000348128888 537838825 /nfs/dbraw/zinc/83/88/25/537838825.db2.gz WGXRPMQRFACWGL-NUEKZKHPSA-N 2 2 248.414 2.782 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152741013 344685384 /nfs/dbraw/zinc/68/53/84/344685384.db2.gz YJMJSAVMVCMWLL-CHWSQXEVSA-N 2 2 249.402 2.786 20 0 BFADLP Cc1ccc(NC(=O)CCCCCC[NH3+])c(C)[nH+]1 ZINC000094666046 178724221 /nfs/dbraw/zinc/72/42/21/178724221.db2.gz ROXUAHBTJZFTFB-UHFFFAOYSA-N 2 2 249.358 2.546 20 0 BFADLP C1CC1C([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000153699372 344954964 /nfs/dbraw/zinc/95/49/64/344954964.db2.gz YTIGWHSLOAQPNN-AWEZNQCLSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1C([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000153699372 344954969 /nfs/dbraw/zinc/95/49/69/344954969.db2.gz YTIGWHSLOAQPNN-AWEZNQCLSA-N 2 2 248.414 2.782 20 0 BFADLP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993388 345189437 /nfs/dbraw/zinc/18/94/37/345189437.db2.gz SRQBGCAMTKBMPE-FEWQNLEASA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H](C)[C@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993388 345189439 /nfs/dbraw/zinc/18/94/39/345189439.db2.gz SRQBGCAMTKBMPE-FEWQNLEASA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H](C)[C@@H](C)[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992255 345180378 /nfs/dbraw/zinc/18/03/78/345180378.db2.gz JIMBCXUFGCLTEV-SIUPQYRZSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H](C)[C@@H](C)[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992255 345180379 /nfs/dbraw/zinc/18/03/79/345180379.db2.gz JIMBCXUFGCLTEV-SIUPQYRZSA-N 2 2 236.403 2.637 20 0 BFADLP c1cn(CCC[N@@H+]2CCCC3(CC3)CC2)c[nH+]1 ZINC000626114457 345317014 /nfs/dbraw/zinc/31/70/14/345317014.db2.gz HMVORWHKLFSMKC-UHFFFAOYSA-N 2 2 233.359 2.539 20 0 BFADLP c1cn(CCC[N@H+]2CCCC3(CC3)CC2)c[nH+]1 ZINC000626114457 345317016 /nfs/dbraw/zinc/31/70/16/345317016.db2.gz HMVORWHKLFSMKC-UHFFFAOYSA-N 2 2 233.359 2.539 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1nccs1 ZINC000090846990 345576493 /nfs/dbraw/zinc/57/64/93/345576493.db2.gz PCNQHRSMGLVEFB-NSHDSACASA-N 2 2 247.367 2.740 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccncc1 ZINC000090846950 345576664 /nfs/dbraw/zinc/57/66/64/345576664.db2.gz MFRDVQVRDROHOX-ZDUSSCGKSA-N 2 2 241.338 2.678 20 0 BFADLP CN(CCCC[NH+]1CCCCC1)c1cccc[nH+]1 ZINC000641718678 362634254 /nfs/dbraw/zinc/63/42/54/362634254.db2.gz VIPMYMMLGRPLEJ-UHFFFAOYSA-N 2 2 247.386 2.784 20 0 BFADLP CC[C@@H](C)C[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000577076605 365805808 /nfs/dbraw/zinc/80/58/08/365805808.db2.gz BISNLYPEPSWOQC-MNOVXSKESA-N 2 2 223.364 2.643 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070654150 345795777 /nfs/dbraw/zinc/79/57/77/345795777.db2.gz HGPPYHOAXILDFV-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070654150 345795780 /nfs/dbraw/zinc/79/57/80/345795780.db2.gz HGPPYHOAXILDFV-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)=CCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000309751652 187310113 /nfs/dbraw/zinc/31/01/13/187310113.db2.gz GWHLWFSGYNKCDJ-CHWSQXEVSA-N 2 2 222.376 2.558 20 0 BFADLP CC(C)=CCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000309751652 187310114 /nfs/dbraw/zinc/31/01/14/187310114.db2.gz GWHLWFSGYNKCDJ-CHWSQXEVSA-N 2 2 222.376 2.558 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000019992194 259386778 /nfs/dbraw/zinc/38/67/78/259386778.db2.gz UCBMZECCCFLLOG-ZIAGYGMSSA-N 2 2 228.424 2.989 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CC[NH+]2CCCC2)cs1 ZINC000381479449 346031349 /nfs/dbraw/zinc/03/13/49/346031349.db2.gz NKIFWMZNGREPPP-LBPRGKRZSA-N 2 2 238.400 2.803 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000628232627 346185278 /nfs/dbraw/zinc/18/52/78/346185278.db2.gz GQQPBQLPTRYKMX-HNNXBMFYSA-N 2 2 246.398 2.784 20 0 BFADLP CCCCC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000069311557 349945748 /nfs/dbraw/zinc/94/57/48/349945748.db2.gz IWXVSPJEPUWWNI-OAHLLOKOSA-N 2 2 232.371 2.735 20 0 BFADLP CCCCC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000069311557 349945752 /nfs/dbraw/zinc/94/57/52/349945752.db2.gz IWXVSPJEPUWWNI-OAHLLOKOSA-N 2 2 232.371 2.735 20 0 BFADLP CC(C)(C)CC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000069311675 349945774 /nfs/dbraw/zinc/94/57/74/349945774.db2.gz KRMFBTQBKFERHG-OAHLLOKOSA-N 2 2 246.398 2.981 20 0 BFADLP CC(C)(C)CC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000069311675 349945779 /nfs/dbraw/zinc/94/57/79/349945779.db2.gz KRMFBTQBKFERHG-OAHLLOKOSA-N 2 2 246.398 2.981 20 0 BFADLP C/C=C/C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000626163250 346275348 /nfs/dbraw/zinc/27/53/48/346275348.db2.gz HIUIVCQLJZNSFC-HSWBROFVSA-N 2 2 233.359 2.561 20 0 BFADLP C/C=C/C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000626163250 346275351 /nfs/dbraw/zinc/27/53/51/346275351.db2.gz HIUIVCQLJZNSFC-HSWBROFVSA-N 2 2 233.359 2.561 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000020126848 259388498 /nfs/dbraw/zinc/38/84/98/259388498.db2.gz DZNAORWFCJKZGF-LBPRGKRZSA-N 2 2 236.334 2.572 20 0 BFADLP Cc1cccc(C[N@H+](C)CC[NH2+]C(C)(C)C)c1 ZINC000044382631 179067129 /nfs/dbraw/zinc/06/71/29/179067129.db2.gz ASVKWFPEUCJBRF-UHFFFAOYSA-N 2 2 234.387 2.815 20 0 BFADLP Cc1cccc(C[N@@H+](C)CC[NH2+]C(C)(C)C)c1 ZINC000044382631 179067131 /nfs/dbraw/zinc/06/71/31/179067131.db2.gz ASVKWFPEUCJBRF-UHFFFAOYSA-N 2 2 234.387 2.815 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000044687876 179097804 /nfs/dbraw/zinc/09/78/04/179097804.db2.gz PEJLFTYMJUYLTB-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1C ZINC000044687876 179097805 /nfs/dbraw/zinc/09/78/05/179097805.db2.gz PEJLFTYMJUYLTB-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP CC[C@H](C[NH2+][C@H]1CCCC12CC2)[NH+]1CCCC1 ZINC000580097707 346522624 /nfs/dbraw/zinc/52/26/24/346522624.db2.gz XABBPNYNUIKKAB-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cccc(NC[C@H]2CCCC[N@@H+]2C2CC2)[nH+]1 ZINC000277480300 179148698 /nfs/dbraw/zinc/14/86/98/179148698.db2.gz QZHWKKVYFOJQQF-CQSZACIVSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cccc(NC[C@H]2CCCC[N@H+]2C2CC2)[nH+]1 ZINC000277480300 179148699 /nfs/dbraw/zinc/14/86/99/179148699.db2.gz QZHWKKVYFOJQQF-CQSZACIVSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cccc(NCC[N@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000157097579 179145522 /nfs/dbraw/zinc/14/55/22/179145522.db2.gz LTVRDIZVUHPJDU-LBPRGKRZSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1cccc(NCC[N@@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000157097579 179145523 /nfs/dbraw/zinc/14/55/23/179145523.db2.gz LTVRDIZVUHPJDU-LBPRGKRZSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1cccc(NCC[NH+]2CCCCCC2)[nH+]1 ZINC000040768050 179145557 /nfs/dbraw/zinc/14/55/57/179145557.db2.gz LCYDWNHCWMLNCS-UHFFFAOYSA-N 2 2 233.359 2.678 20 0 BFADLP Cc1cccc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000302257732 179146408 /nfs/dbraw/zinc/14/64/08/179146408.db2.gz ZRBGUHMDKDLZQL-TZMCWYRMSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cccc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000302257732 179146410 /nfs/dbraw/zinc/14/64/10/179146410.db2.gz ZRBGUHMDKDLZQL-TZMCWYRMSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cccc(NC[C@H](c2ccco2)[NH+](C)C)[nH+]1 ZINC000114183469 179147985 /nfs/dbraw/zinc/14/79/85/179147985.db2.gz VAABYAMRMCWMOH-GFCCVEGCSA-N 2 2 245.326 2.698 20 0 BFADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C/C=C/c1ccccc1)C2 ZINC000622005019 370655110 /nfs/dbraw/zinc/65/51/10/370655110.db2.gz XWQRBYYPYRCUMT-RTWZZBQXSA-N 2 2 242.366 2.513 20 0 BFADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C/C=C/c1ccccc1)C2 ZINC000622005019 370655115 /nfs/dbraw/zinc/65/51/15/370655115.db2.gz XWQRBYYPYRCUMT-RTWZZBQXSA-N 2 2 242.366 2.513 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044686661 179197503 /nfs/dbraw/zinc/19/75/03/179197503.db2.gz LZJRBQVWAVGWFP-ZFWWWQNUSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044686661 179197506 /nfs/dbraw/zinc/19/75/06/179197506.db2.gz LZJRBQVWAVGWFP-ZFWWWQNUSA-N 2 2 244.382 2.882 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000319493403 259396057 /nfs/dbraw/zinc/39/60/57/259396057.db2.gz HWDJMGBHDUOIQA-HEHGZKQESA-N 2 2 246.398 2.898 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCC12CCC2)[N@H+](C)C1CC1 ZINC000394870730 323151767 /nfs/dbraw/zinc/15/17/67/323151767.db2.gz SDJMNKLRQJZEDG-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCC12CCC2)[N@@H+](C)C1CC1 ZINC000394870730 323151768 /nfs/dbraw/zinc/15/17/68/323151768.db2.gz SDJMNKLRQJZEDG-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C(C)(C)C[NH+](C)C ZINC000453600090 323154585 /nfs/dbraw/zinc/15/45/85/323154585.db2.gz CCTVHPGSXQGBBC-UONOGXRCSA-N 2 2 238.419 2.909 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000577296680 365922349 /nfs/dbraw/zinc/92/23/49/365922349.db2.gz KJDJEJKGCCAMOJ-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccccc1[C@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000093248811 179345803 /nfs/dbraw/zinc/34/58/03/179345803.db2.gz PSHZPXBXZOYJOK-MRXNPFEDSA-N 2 2 240.350 2.633 20 0 BFADLP Cc1cccn2c(C[NH2+]CCC3(C)CC3)c[nH+]c12 ZINC000355132764 179355379 /nfs/dbraw/zinc/35/53/79/179355379.db2.gz NHJOBAXAARIVNX-UHFFFAOYSA-N 2 2 243.354 2.923 20 0 BFADLP Cc1cccnc1[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)C ZINC000172037897 179397725 /nfs/dbraw/zinc/39/77/25/179397725.db2.gz YRQQEQODHUNUGD-ZDUSSCGKSA-N 2 2 244.342 2.600 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397758705 349986112 /nfs/dbraw/zinc/98/61/12/349986112.db2.gz HGPMSMBFADSPPH-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000432822009 192372556 /nfs/dbraw/zinc/37/25/56/192372556.db2.gz LDCFZKPYQCRNON-CQSZACIVSA-N 2 2 246.354 2.725 20 0 BFADLP CC1(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000432822009 192372559 /nfs/dbraw/zinc/37/25/59/192372559.db2.gz LDCFZKPYQCRNON-CQSZACIVSA-N 2 2 246.354 2.725 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000082837374 348831126 /nfs/dbraw/zinc/83/11/26/348831126.db2.gz XUFWAHPYLHPPAH-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000082837374 348831131 /nfs/dbraw/zinc/83/11/31/348831131.db2.gz XUFWAHPYLHPPAH-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H](C)C1 ZINC000082857564 348850364 /nfs/dbraw/zinc/85/03/64/348850364.db2.gz SOAFNEBHEDILCS-JHJVBQTASA-N 2 2 226.408 2.741 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)s1 ZINC000395224435 323221898 /nfs/dbraw/zinc/22/18/98/323221898.db2.gz UAEXKPBEUCZTHA-AAEUAGOBSA-N 2 2 238.400 2.677 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000422696589 192432274 /nfs/dbraw/zinc/43/22/74/192432274.db2.gz RXATZOGVOGMYTQ-ZBFHGGJFSA-N 2 2 246.398 2.924 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC(C)C ZINC000020186637 180103641 /nfs/dbraw/zinc/10/36/41/180103641.db2.gz UATFEPWREMTPRE-UHFFFAOYSA-N 2 2 231.343 2.590 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C(C)C ZINC000020186695 180103989 /nfs/dbraw/zinc/10/39/89/180103989.db2.gz PDQVXBZXGJORLO-LBPRGKRZSA-N 2 2 245.370 2.979 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H](C)CF)n1-c1ccccc1 ZINC000288531805 180156558 /nfs/dbraw/zinc/15/65/58/180156558.db2.gz VTWJPHHXIDFJPP-LLVKDONJSA-N 2 2 247.317 2.628 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000336718399 180256372 /nfs/dbraw/zinc/25/63/72/180256372.db2.gz CZNXFOXSWXPUAA-ZDUSSCGKSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000336718399 180256376 /nfs/dbraw/zinc/25/63/76/180256376.db2.gz CZNXFOXSWXPUAA-ZDUSSCGKSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000360213648 180256818 /nfs/dbraw/zinc/25/68/18/180256818.db2.gz QIEKHYYCLKFBKP-NWANDNLSSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000360213648 180256820 /nfs/dbraw/zinc/25/68/20/180256820.db2.gz QIEKHYYCLKFBKP-NWANDNLSSA-N 2 2 247.386 2.702 20 0 BFADLP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000427717445 191089750 /nfs/dbraw/zinc/08/97/50/191089750.db2.gz HABAIXUSWBJELE-ZBFHGGJFSA-N 2 2 248.414 2.793 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000068986619 350320476 /nfs/dbraw/zinc/32/04/76/350320476.db2.gz FZHPVJBPNQIJCB-STQMWFEESA-N 2 2 223.364 2.830 20 0 BFADLP CCCC(CCC)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427855219 191096120 /nfs/dbraw/zinc/09/61/20/191096120.db2.gz CHQZPFAZEAEYSA-ZDUSSCGKSA-N 2 2 235.375 2.756 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427887664 191099925 /nfs/dbraw/zinc/09/99/25/191099925.db2.gz UHUFKHZOGWOZKU-ZIAGYGMSSA-N 2 2 247.386 2.922 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000300315841 490555264 /nfs/dbraw/zinc/55/52/64/490555264.db2.gz LIGMMSGMCJSNOJ-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000300315841 490555268 /nfs/dbraw/zinc/55/52/68/490555268.db2.gz LIGMMSGMCJSNOJ-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000070562189 350536074 /nfs/dbraw/zinc/53/60/74/350536074.db2.gz VLMUAUARXCRJEY-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337986891 350659854 /nfs/dbraw/zinc/65/98/54/350659854.db2.gz CNUXQHGQGOJUJL-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337986891 350659857 /nfs/dbraw/zinc/65/98/57/350659857.db2.gz CNUXQHGQGOJUJL-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628312549 350814357 /nfs/dbraw/zinc/81/43/57/350814357.db2.gz GJMYUPHGKKGVRM-GDBMZVCRSA-N 2 2 246.398 2.782 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628312549 350814360 /nfs/dbraw/zinc/81/43/60/350814360.db2.gz GJMYUPHGKKGVRM-GDBMZVCRSA-N 2 2 246.398 2.782 20 0 BFADLP CCc1ccc[nH+]c1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623955225 350877700 /nfs/dbraw/zinc/87/77/00/350877700.db2.gz RLFSLRVCZRXBHR-ZDUSSCGKSA-N 2 2 247.386 2.929 20 0 BFADLP CCc1ccc[nH+]c1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623955225 350877701 /nfs/dbraw/zinc/87/77/01/350877701.db2.gz RLFSLRVCZRXBHR-ZDUSSCGKSA-N 2 2 247.386 2.929 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H]2CC23CCCCC3)n1C ZINC000623569149 362995994 /nfs/dbraw/zinc/99/59/94/362995994.db2.gz WAXXHKJUMTVNAQ-ZDUSSCGKSA-N 2 2 233.359 2.541 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)[NH+](C)C ZINC000083435610 351326134 /nfs/dbraw/zinc/32/61/34/351326134.db2.gz MGOYPVFFTFPVGL-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)C1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000637982660 351859087 /nfs/dbraw/zinc/85/90/87/351859087.db2.gz GLOZEKRYZPTPKT-UHFFFAOYSA-N 2 2 247.386 2.956 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000336733871 351885833 /nfs/dbraw/zinc/88/58/33/351885833.db2.gz KJPYQAAISNOWFA-STQMWFEESA-N 2 2 223.364 2.688 20 0 BFADLP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CCn2cc[nH+]c2)CC1 ZINC000638297547 352129985 /nfs/dbraw/zinc/12/99/85/352129985.db2.gz GSXHZTQUCYWYPA-GJZGRUSLSA-N 2 2 247.386 2.998 20 0 BFADLP CCCC[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000307343425 352090132 /nfs/dbraw/zinc/09/01/32/352090132.db2.gz XGZXHZVZTIZADB-CQSZACIVSA-N 2 2 234.387 2.897 20 0 BFADLP CCCC[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000307343425 352090134 /nfs/dbraw/zinc/09/01/34/352090134.db2.gz XGZXHZVZTIZADB-CQSZACIVSA-N 2 2 234.387 2.897 20 0 BFADLP CCCC(CCC)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037157627 358468209 /nfs/dbraw/zinc/46/82/09/358468209.db2.gz GROKSLQXXLPYOD-LBPRGKRZSA-N 2 2 223.364 2.830 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037157470 358468587 /nfs/dbraw/zinc/46/85/87/358468587.db2.gz AGKRXDQCAIERKK-QWHCGFSZSA-N 2 2 223.364 2.686 20 0 BFADLP Cc1cccc([N@H+](C)CC[C@@H]2CC[NH2+]C2)c1C ZINC000222897391 363182257 /nfs/dbraw/zinc/18/22/57/363182257.db2.gz VRAQVXZNHWNBHW-AWEZNQCLSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1cccc([N@@H+](C)CC[C@@H]2CC[NH2+]C2)c1C ZINC000222897391 363182265 /nfs/dbraw/zinc/18/22/65/363182265.db2.gz VRAQVXZNHWNBHW-AWEZNQCLSA-N 2 2 232.371 2.739 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000043326512 352637529 /nfs/dbraw/zinc/63/75/29/352637529.db2.gz DRBDFYIAQPFTLX-DGCLKSJQSA-N 2 2 244.338 2.835 20 0 BFADLP c1[nH]cc(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)[nH+]1 ZINC000334177362 352763073 /nfs/dbraw/zinc/76/30/73/352763073.db2.gz CULHZEFXSUIUOQ-CYBMUJFWSA-N 2 2 245.370 2.945 20 0 BFADLP Cc1[nH+]c(C(C)C)ccc1Cn1cc[nH+]c1 ZINC000334192494 352783377 /nfs/dbraw/zinc/78/33/77/352783377.db2.gz HZEXOYQFICEBJH-UHFFFAOYSA-N 2 2 215.300 2.758 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000334375930 353031905 /nfs/dbraw/zinc/03/19/05/353031905.db2.gz DULUPMJLJJXPSU-RISCZKNCSA-N 2 2 236.334 2.700 20 0 BFADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000334375930 353031907 /nfs/dbraw/zinc/03/19/07/353031907.db2.gz DULUPMJLJJXPSU-RISCZKNCSA-N 2 2 236.334 2.700 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C)C(C)C)[NH+](C)C ZINC000020201497 188005834 /nfs/dbraw/zinc/00/58/34/188005834.db2.gz DEWBFLKYHHVTTL-QWHCGFSZSA-N 2 2 214.397 2.597 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)C[N@@H+]1C1CC1 ZINC000122321655 324041049 /nfs/dbraw/zinc/04/10/49/324041049.db2.gz MODJJJSDJKKSFP-DGCLKSJQSA-N 2 2 222.376 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CCCCC2)C[N@H+]1C1CC1 ZINC000122321655 324041051 /nfs/dbraw/zinc/04/10/51/324041051.db2.gz MODJJJSDJKKSFP-DGCLKSJQSA-N 2 2 222.376 2.534 20 0 BFADLP Cc1ccc(CCC[N@@H+](C)C(C)C)c[nH+]1 ZINC000353361985 188235083 /nfs/dbraw/zinc/23/50/83/188235083.db2.gz DQXVLVGCUAEDBS-UHFFFAOYSA-N 2 2 206.333 2.663 20 0 BFADLP Cc1ccc(CCC[N@H+](C)C(C)C)c[nH+]1 ZINC000353361985 188235085 /nfs/dbraw/zinc/23/50/85/188235085.db2.gz DQXVLVGCUAEDBS-UHFFFAOYSA-N 2 2 206.333 2.663 20 0 BFADLP Cc1ccc(CCC[NH2+]CC[C@H](C)F)c[nH+]1 ZINC000354201450 188235858 /nfs/dbraw/zinc/23/58/58/188235858.db2.gz WZAKGJMASULLIH-NSHDSACASA-N 2 2 224.323 2.660 20 0 BFADLP CC1(C)CCC(C[N@@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000367940112 188246860 /nfs/dbraw/zinc/24/68/60/188246860.db2.gz BQKIYCUSCJCXEN-UHFFFAOYSA-N 2 2 247.386 2.915 20 0 BFADLP CC1(C)CCC(C[N@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000367940112 188246861 /nfs/dbraw/zinc/24/68/61/188246861.db2.gz BQKIYCUSCJCXEN-UHFFFAOYSA-N 2 2 247.386 2.915 20 0 BFADLP Cc1cc(Cl)cc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000339164300 188269914 /nfs/dbraw/zinc/26/99/14/188269914.db2.gz KMMGYEVUSKFNSD-UHFFFAOYSA-N 2 2 249.745 2.635 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153953 188325015 /nfs/dbraw/zinc/32/50/15/188325015.db2.gz OOHMXFVNGCLHNU-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CC2 ZINC000154604199 188332493 /nfs/dbraw/zinc/33/24/93/188332493.db2.gz FMAWFZIYBPZWSZ-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CC2 ZINC000154604199 188332495 /nfs/dbraw/zinc/33/24/95/188332495.db2.gz FMAWFZIYBPZWSZ-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP CC(C)([NH2+]Cc1c[nH+]c[nH]1)c1cccc(F)c1 ZINC000172342775 188339147 /nfs/dbraw/zinc/33/91/47/188339147.db2.gz DEAIRLPZFNWCQJ-UHFFFAOYSA-N 2 2 233.290 2.574 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC[NH+](C)C ZINC000309087498 188343782 /nfs/dbraw/zinc/34/37/82/188343782.db2.gz ZQRBXNIFQMCGBX-QWHCGFSZSA-N 2 2 214.397 2.598 20 0 BFADLP CC(C)=CC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000309361415 188344422 /nfs/dbraw/zinc/34/44/22/188344422.db2.gz OSVLAAZBCLEVER-UHFFFAOYSA-N 2 2 218.344 2.878 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000302514310 188353836 /nfs/dbraw/zinc/35/38/36/188353836.db2.gz CQFYTAQPPGYCTJ-CZUORRHYSA-N 2 2 246.398 2.898 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000302514311 188354415 /nfs/dbraw/zinc/35/44/15/188354415.db2.gz CQFYTAQPPGYCTJ-XJKSGUPXSA-N 2 2 246.398 2.898 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000336774030 353423409 /nfs/dbraw/zinc/42/34/09/353423409.db2.gz ZJHUSMHPRQVXBE-RWMBFGLXSA-N 2 2 214.397 2.741 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000237085934 188368351 /nfs/dbraw/zinc/36/83/51/188368351.db2.gz AENKFERSZWWYII-UKYUDJEDSA-N 2 2 244.382 2.774 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000237085934 188368352 /nfs/dbraw/zinc/36/83/52/188368352.db2.gz AENKFERSZWWYII-UKYUDJEDSA-N 2 2 244.382 2.774 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H](C)[NH+](C)C ZINC000264400529 188371214 /nfs/dbraw/zinc/37/12/14/188371214.db2.gz VTDQBJPRGZKYNW-UELRPHRMSA-N 2 2 232.371 2.630 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771320 188396552 /nfs/dbraw/zinc/39/65/52/188396552.db2.gz XRKLPPHPYVXDSZ-CQSZACIVSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)(C)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343322689 353692793 /nfs/dbraw/zinc/69/27/93/353692793.db2.gz RXYGYMVUIWYQSU-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)(C)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343322689 353692796 /nfs/dbraw/zinc/69/27/96/353692796.db2.gz RXYGYMVUIWYQSU-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C1(C[NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000639149731 353853144 /nfs/dbraw/zinc/85/31/44/353853144.db2.gz UMGXEDYXMLAXJU-UHFFFAOYSA-N 2 2 247.386 2.745 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000639168791 354056172 /nfs/dbraw/zinc/05/61/72/354056172.db2.gz UYJKDOSJRHWSKX-LBPRGKRZSA-N 2 2 236.403 2.949 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1C ZINC000344311179 354219639 /nfs/dbraw/zinc/21/96/39/354219639.db2.gz WQJQXWUFWXLPEK-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1C ZINC000344311179 354219641 /nfs/dbraw/zinc/21/96/41/354219641.db2.gz WQJQXWUFWXLPEK-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1C ZINC000344328122 354225066 /nfs/dbraw/zinc/22/50/66/354225066.db2.gz QHRXKDKXZVHLNP-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1C ZINC000344328122 354225069 /nfs/dbraw/zinc/22/50/69/354225069.db2.gz QHRXKDKXZVHLNP-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP CC1CCC(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000344338253 354234708 /nfs/dbraw/zinc/23/47/08/354234708.db2.gz WNFADDPYJZORFH-SHWKFHJASA-N 2 2 238.419 2.885 20 0 BFADLP CC1CCC(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000344338253 354234711 /nfs/dbraw/zinc/23/47/11/354234711.db2.gz WNFADDPYJZORFH-SHWKFHJASA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)CCC2 ZINC000344512017 354291938 /nfs/dbraw/zinc/29/19/38/354291938.db2.gz JUBAULOORKZRGU-XBFCOCLRSA-N 2 2 247.386 2.847 20 0 BFADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccsc1Cl ZINC000334617540 354305303 /nfs/dbraw/zinc/30/53/03/354305303.db2.gz YZDLDBBTUHALSR-NXEZZACHSA-N 2 2 244.791 2.761 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC13CCC3)CC2 ZINC000334735908 354537015 /nfs/dbraw/zinc/53/70/15/354537015.db2.gz WAZULKAGXUWIHG-CHWSQXEVSA-N 2 2 245.370 2.510 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC000335101348 354711765 /nfs/dbraw/zinc/71/17/65/354711765.db2.gz VDKUXVCLHLFXHH-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC000335101348 354711767 /nfs/dbraw/zinc/71/17/67/354711767.db2.gz VDKUXVCLHLFXHH-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040502218 358492858 /nfs/dbraw/zinc/49/28/58/358492858.db2.gz WRCDBUWYFUEFTH-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040502218 358492859 /nfs/dbraw/zinc/49/28/59/358492859.db2.gz WRCDBUWYFUEFTH-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000346744995 355091060 /nfs/dbraw/zinc/09/10/60/355091060.db2.gz XFKKUBUNVGEICN-HIFRSBDPSA-N 2 2 244.382 2.606 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000346744995 355091062 /nfs/dbraw/zinc/09/10/62/355091062.db2.gz XFKKUBUNVGEICN-HIFRSBDPSA-N 2 2 244.382 2.606 20 0 BFADLP CCc1cc[nH+]cc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639297098 355601517 /nfs/dbraw/zinc/60/15/17/355601517.db2.gz ZDRIEACORMSXDF-WCQYABFASA-N 2 2 233.359 2.539 20 0 BFADLP CCc1cc[nH+]cc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639297098 355601522 /nfs/dbraw/zinc/60/15/22/355601522.db2.gz ZDRIEACORMSXDF-WCQYABFASA-N 2 2 233.359 2.539 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1C ZINC000415064663 191667347 /nfs/dbraw/zinc/66/73/47/191667347.db2.gz DIAOBFQHJQECDP-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000389126925 355710273 /nfs/dbraw/zinc/71/02/73/355710273.db2.gz DGWOMCARDRJMBY-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000389126925 355710277 /nfs/dbraw/zinc/71/02/77/355710277.db2.gz DGWOMCARDRJMBY-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP c1[nH+]c2c(n1[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCC2 ZINC000628371547 355895040 /nfs/dbraw/zinc/89/50/40/355895040.db2.gz NAAPKOSRYABHPB-CHWSQXEVSA-N 2 2 245.370 2.561 20 0 BFADLP c1[nH+]c2c(n1[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCCC2 ZINC000628371547 355895042 /nfs/dbraw/zinc/89/50/42/355895042.db2.gz NAAPKOSRYABHPB-CHWSQXEVSA-N 2 2 245.370 2.561 20 0 BFADLP CCC(F)(F)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000639513527 356351268 /nfs/dbraw/zinc/35/12/68/356351268.db2.gz IJPPQZYQCWGCKP-UHFFFAOYSA-N 2 2 243.301 2.634 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420367217 192225918 /nfs/dbraw/zinc/22/59/18/192225918.db2.gz MUVLAACELALRKA-DVOMOZLQSA-N 2 2 246.398 2.725 20 0 BFADLP CCc1cccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420365460 192223899 /nfs/dbraw/zinc/22/38/99/192223899.db2.gz LDUZTWRGIIOGDO-HEHGZKQESA-N 2 2 246.398 2.725 20 0 BFADLP Cc1c2ccccc2oc1[C@H]([NH2+]CC[NH3+])C(C)C ZINC000420405472 192239962 /nfs/dbraw/zinc/23/99/62/192239962.db2.gz MYFFQPOENHCSTP-CQSZACIVSA-N 2 2 246.354 2.987 20 0 BFADLP CC(C)(C)[C@H]([NH2+]CC[NH3+])c1ccc(F)cc1F ZINC000420415270 192240744 /nfs/dbraw/zinc/24/07/44/192240744.db2.gz UZONNGFPSGTDDI-GFCCVEGCSA-N 2 2 242.313 2.600 20 0 BFADLP Cc1ccccc1[C@H](CC(C)C)[NH2+]CC[NH3+] ZINC000420416293 192241051 /nfs/dbraw/zinc/24/10/51/192241051.db2.gz VSFKLKUCQBMDPK-AWEZNQCLSA-N 2 2 220.360 2.631 20 0 BFADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000420380467 192233992 /nfs/dbraw/zinc/23/39/92/192233992.db2.gz WTQCLAJMYJAXOK-YUMQZZPRSA-N 2 2 247.169 2.991 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420967456 192284622 /nfs/dbraw/zinc/28/46/22/192284622.db2.gz YUWIQQHIOWOREA-OAHLLOKOSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420967456 192284625 /nfs/dbraw/zinc/28/46/25/192284625.db2.gz YUWIQQHIOWOREA-OAHLLOKOSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1cc(C)c(C[NH+]2[C@@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000639618234 356534603 /nfs/dbraw/zinc/53/46/03/356534603.db2.gz GNZQREPLXLHCNY-RYUDHWBXSA-N 2 2 218.344 2.990 20 0 BFADLP C[N@H+](Cc1ccco1)Cc1cccc2[nH+]ccn21 ZINC000179582130 366272848 /nfs/dbraw/zinc/27/28/48/366272848.db2.gz AJPYWOSQYQBJCJ-UHFFFAOYSA-N 2 2 241.294 2.559 20 0 BFADLP C[N@@H+](Cc1ccco1)Cc1cccc2[nH+]ccn21 ZINC000179582130 366272855 /nfs/dbraw/zinc/27/28/55/366272855.db2.gz AJPYWOSQYQBJCJ-UHFFFAOYSA-N 2 2 241.294 2.559 20 0 BFADLP c1cn(CCC[NH2+]C2CC3(C2)CCCCC3)c[nH+]1 ZINC000421336959 192318671 /nfs/dbraw/zinc/31/86/71/192318671.db2.gz XSSKCUKAESAZJC-UHFFFAOYSA-N 2 2 247.386 2.976 20 0 BFADLP Cc1cc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CS3)c(C)[nH+]1 ZINC000639670452 356586437 /nfs/dbraw/zinc/58/64/37/356586437.db2.gz APQICJKJXUGGMB-STQMWFEESA-N 2 2 248.395 2.697 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC000130136909 325016948 /nfs/dbraw/zinc/01/69/48/325016948.db2.gz LGKKCBYKHBUZFA-FRRDWIJNSA-N 2 2 214.397 2.741 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000450467476 202174447 /nfs/dbraw/zinc/17/44/47/202174447.db2.gz LCWRTGIEDJZMJI-ILXRZTDVSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000450467476 202174449 /nfs/dbraw/zinc/17/44/49/202174449.db2.gz LCWRTGIEDJZMJI-ILXRZTDVSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000450467476 202174452 /nfs/dbraw/zinc/17/44/52/202174452.db2.gz LCWRTGIEDJZMJI-ILXRZTDVSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000450467476 202174455 /nfs/dbraw/zinc/17/44/55/202174455.db2.gz LCWRTGIEDJZMJI-ILXRZTDVSA-N 2 2 238.419 2.980 20 0 BFADLP CC[C@H]1CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450484040 202180127 /nfs/dbraw/zinc/18/01/27/202180127.db2.gz KBGHIMLBWQTHJH-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450484040 202180129 /nfs/dbraw/zinc/18/01/29/202180129.db2.gz KBGHIMLBWQTHJH-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450484040 202180130 /nfs/dbraw/zinc/18/01/30/202180130.db2.gz KBGHIMLBWQTHJH-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450484040 202180133 /nfs/dbraw/zinc/18/01/33/202180133.db2.gz KBGHIMLBWQTHJH-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000623371804 356881071 /nfs/dbraw/zinc/88/10/71/356881071.db2.gz UCAJVJOXERKJFN-SNPRPXQTSA-N 2 2 247.386 2.688 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000155857390 538735701 /nfs/dbraw/zinc/73/57/01/538735701.db2.gz SJNYXHYZVJGHRG-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000155857390 538735704 /nfs/dbraw/zinc/73/57/04/538735704.db2.gz SJNYXHYZVJGHRG-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000389517286 356900932 /nfs/dbraw/zinc/90/09/32/356900932.db2.gz GGYNWOKPHYJBCM-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000389517286 356900936 /nfs/dbraw/zinc/90/09/36/356900936.db2.gz GGYNWOKPHYJBCM-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(CC(C)C)cc1 ZINC000423224638 192635520 /nfs/dbraw/zinc/63/55/20/192635520.db2.gz JRENTCQNQGZRKW-CYBMUJFWSA-N 2 2 234.387 2.755 20 0 BFADLP Cc1[nH+]cc(C[NH2+]Cc2cccc(Cl)c2)n1C ZINC000582312260 357052102 /nfs/dbraw/zinc/05/21/02/357052102.db2.gz QNQMZEAWFMYJQY-UHFFFAOYSA-N 2 2 249.745 2.672 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000544371345 325139892 /nfs/dbraw/zinc/13/98/92/325139892.db2.gz PBTYBFXAZNVBDA-KFWWJZLASA-N 2 2 238.419 2.744 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CCCC[C@H]2C)C1 ZINC000544371345 325139896 /nfs/dbraw/zinc/13/98/96/325139896.db2.gz PBTYBFXAZNVBDA-KFWWJZLASA-N 2 2 238.419 2.744 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000389552692 538822832 /nfs/dbraw/zinc/82/28/32/538822832.db2.gz PQTMBNIVJZTJQB-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000389552692 538822837 /nfs/dbraw/zinc/82/28/37/538822837.db2.gz PQTMBNIVJZTJQB-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000423288035 192681413 /nfs/dbraw/zinc/68/14/13/192681413.db2.gz QADNWHOMDOSWDO-LLVKDONJSA-N 2 2 224.348 2.756 20 0 BFADLP CC(C)[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000582676622 357364027 /nfs/dbraw/zinc/36/40/27/357364027.db2.gz HQEHYZAGWVXPPJ-UONOGXRCSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000583155221 357497951 /nfs/dbraw/zinc/49/79/51/357497951.db2.gz SLZFBNJQWVBKSA-CBBWQLFWSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000230993111 357586986 /nfs/dbraw/zinc/58/69/86/357586986.db2.gz YMODSANKGRGYDQ-ZIAGYGMSSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCCC3)C[N@@H+]1C1CC1 ZINC000189148665 357606412 /nfs/dbraw/zinc/60/64/12/357606412.db2.gz FBBKJIKNFACXKB-UMVBOHGHSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCCC3)C[N@H+]1C1CC1 ZINC000189148665 357606416 /nfs/dbraw/zinc/60/64/16/357606416.db2.gz FBBKJIKNFACXKB-UMVBOHGHSA-N 2 2 248.414 2.924 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000233293513 357713343 /nfs/dbraw/zinc/71/33/43/357713343.db2.gz ORAQFSXJVBHZAA-HUUCEWRRSA-N 2 2 232.371 2.869 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C)C1CC1 ZINC000233445063 357723679 /nfs/dbraw/zinc/72/36/79/357723679.db2.gz PGVOZAHZUYROSQ-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C)C1CC1 ZINC000233445063 357723685 /nfs/dbraw/zinc/72/36/85/357723685.db2.gz PGVOZAHZUYROSQ-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623415962 357822356 /nfs/dbraw/zinc/82/23/56/357822356.db2.gz DTOQWHSFIOTGRX-QEJZJMRPSA-N 2 2 238.419 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623415962 357822358 /nfs/dbraw/zinc/82/23/58/357822358.db2.gz DTOQWHSFIOTGRX-QEJZJMRPSA-N 2 2 238.419 2.743 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000235390525 357860246 /nfs/dbraw/zinc/86/02/46/357860246.db2.gz UJUFDEQAAQAIAA-IACUBPJLSA-N 2 2 224.392 2.519 20 0 BFADLP C(C1CCCCC1)[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000064571077 357849876 /nfs/dbraw/zinc/84/98/76/357849876.db2.gz OSTMFNKJHXDFCH-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCCC1)[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000064571077 357849882 /nfs/dbraw/zinc/84/98/82/357849882.db2.gz OSTMFNKJHXDFCH-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCCC1)[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000064571077 357849884 /nfs/dbraw/zinc/84/98/84/357849884.db2.gz OSTMFNKJHXDFCH-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCCC1)[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000064571077 357849888 /nfs/dbraw/zinc/84/98/88/357849888.db2.gz OSTMFNKJHXDFCH-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000235672315 357927402 /nfs/dbraw/zinc/92/74/02/357927402.db2.gz LJHPULKHOALZMN-TZMCWYRMSA-N 2 2 238.419 2.909 20 0 BFADLP CC(C)C[C@H](C[NH2+]C(C1CC1)C1CC1)[NH+](C)C ZINC000036984104 358054784 /nfs/dbraw/zinc/05/47/84/358054784.db2.gz JAGNFPDAXHOTLQ-CQSZACIVSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000218756061 134260095 /nfs/dbraw/zinc/26/00/95/134260095.db2.gz BADWLNBHNLABGL-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CC1=CCCCC1 ZINC000450637152 202221138 /nfs/dbraw/zinc/22/11/38/202221138.db2.gz PXAGNESTARZTLV-UHFFFAOYSA-N 2 2 233.359 2.705 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CC1=CCCCC1 ZINC000450637152 202221140 /nfs/dbraw/zinc/22/11/40/202221140.db2.gz PXAGNESTARZTLV-UHFFFAOYSA-N 2 2 233.359 2.705 20 0 BFADLP CCC[C@@H](CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000224599785 358234828 /nfs/dbraw/zinc/23/48/28/358234828.db2.gz ZIIOVQACHLZLQR-CYBMUJFWSA-N 2 2 223.364 2.832 20 0 BFADLP C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000044561954 358390924 /nfs/dbraw/zinc/39/09/24/358390924.db2.gz IYADBLZVDWHJDV-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP C[N@H+]1CCCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000044561954 358390927 /nfs/dbraw/zinc/39/09/27/358390927.db2.gz IYADBLZVDWHJDV-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP c1[nH]c(C[NH+]2CCC3(CCCCC3)CC2)c[nH+]1 ZINC000046730714 358581018 /nfs/dbraw/zinc/58/10/18/358581018.db2.gz NAUYCXIBRFVIHF-UHFFFAOYSA-N 2 2 233.359 2.956 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000044684976 358552059 /nfs/dbraw/zinc/55/20/59/358552059.db2.gz NYBQEJNBYCIVAV-BXUZGUMPSA-N 2 2 248.345 2.713 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000044684976 358552060 /nfs/dbraw/zinc/55/20/60/358552060.db2.gz NYBQEJNBYCIVAV-BXUZGUMPSA-N 2 2 248.345 2.713 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000044686609 358552459 /nfs/dbraw/zinc/55/24/59/358552459.db2.gz RIYNHTRELFOTOR-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000044686609 358552463 /nfs/dbraw/zinc/55/24/63/358552463.db2.gz RIYNHTRELFOTOR-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(F)cc1 ZINC000042437133 358523782 /nfs/dbraw/zinc/52/37/82/358523782.db2.gz DDMWBPGDGCPYCK-CQSZACIVSA-N 2 2 238.350 2.631 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(F)cc1 ZINC000042437133 358523785 /nfs/dbraw/zinc/52/37/85/358523785.db2.gz DDMWBPGDGCPYCK-CQSZACIVSA-N 2 2 238.350 2.631 20 0 BFADLP CCCC1CCC([NH2+][C@H](C)C[NH+](C)C)CC1 ZINC000130292211 358616719 /nfs/dbraw/zinc/61/67/19/358616719.db2.gz KKEGKHQRVZWFBZ-IYXRBSQSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131915900 358701609 /nfs/dbraw/zinc/70/16/09/358701609.db2.gz OVWDFGAHYCIOGA-OCCSQVGLSA-N 2 2 234.343 2.581 20 0 BFADLP CC[C@@H](C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131915900 358701612 /nfs/dbraw/zinc/70/16/12/358701612.db2.gz OVWDFGAHYCIOGA-OCCSQVGLSA-N 2 2 234.343 2.581 20 0 BFADLP CC[C@@H](C)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000133525372 358757990 /nfs/dbraw/zinc/75/79/90/358757990.db2.gz MICKKCZPHMKBCI-GFCCVEGCSA-N 2 2 231.343 2.513 20 0 BFADLP CCc1ccc(C[NH2+]CCC[NH+](CC)CC)o1 ZINC000051721429 358760629 /nfs/dbraw/zinc/76/06/29/358760629.db2.gz VASDELHYXDSVQL-UHFFFAOYSA-N 2 2 238.375 2.664 20 0 BFADLP c1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C3CCC3)C2)cc1 ZINC000052207781 358776192 /nfs/dbraw/zinc/77/61/92/358776192.db2.gz GCVGDFCBPOFDME-MRXNPFEDSA-N 2 2 244.382 2.793 20 0 BFADLP c1ccc(C[N@H+]2CCC[C@@H]([NH2+]C3CCC3)C2)cc1 ZINC000052207781 358776196 /nfs/dbraw/zinc/77/61/96/358776196.db2.gz GCVGDFCBPOFDME-MRXNPFEDSA-N 2 2 244.382 2.793 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000053343766 358825139 /nfs/dbraw/zinc/82/51/39/358825139.db2.gz ISDUZGFIFHCGNE-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000053343766 358825143 /nfs/dbraw/zinc/82/51/43/358825143.db2.gz ISDUZGFIFHCGNE-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000054488601 358864105 /nfs/dbraw/zinc/86/41/05/358864105.db2.gz QJIYRZPKNGPAHQ-IUODEOHRSA-N 2 2 232.371 2.509 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000053485723 358829984 /nfs/dbraw/zinc/82/99/84/358829984.db2.gz SBKJKFHISDJGAS-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC1(C)CCC[N@H+](CC[NH2+]C2CCCC2)C1 ZINC000069794251 359033641 /nfs/dbraw/zinc/03/36/41/359033641.db2.gz BKJHGIRARPBUGS-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC1(C)CCC[N@@H+](CC[NH2+]C2CCCC2)C1 ZINC000069794251 359033645 /nfs/dbraw/zinc/03/36/45/359033645.db2.gz BKJHGIRARPBUGS-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000071117275 359070899 /nfs/dbraw/zinc/07/08/99/359070899.db2.gz FBPABDWWFFPWSI-MJBXVCDLSA-N 2 2 235.375 2.830 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000247143677 359196604 /nfs/dbraw/zinc/19/66/04/359196604.db2.gz SMKYOEKYVWCOKB-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1(C)CC1 ZINC000247143677 359196612 /nfs/dbraw/zinc/19/66/12/359196612.db2.gz SMKYOEKYVWCOKB-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CCCCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246704088 359157752 /nfs/dbraw/zinc/15/77/52/359157752.db2.gz XLQKWMASAGSVCQ-KGLIPLIRSA-N 2 2 235.375 2.956 20 0 BFADLP CCCCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246704088 359157756 /nfs/dbraw/zinc/15/77/56/359157756.db2.gz XLQKWMASAGSVCQ-KGLIPLIRSA-N 2 2 235.375 2.956 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246798572 359165729 /nfs/dbraw/zinc/16/57/29/359165729.db2.gz AZKRATHEBOTWKD-MCIONIFRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000246798572 359165735 /nfs/dbraw/zinc/16/57/35/359165735.db2.gz AZKRATHEBOTWKD-MCIONIFRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000397812964 363651083 /nfs/dbraw/zinc/65/10/83/363651083.db2.gz ZEDDWJWPZUJBDU-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000423565614 192814257 /nfs/dbraw/zinc/81/42/57/192814257.db2.gz SPQABOVVAPYEGA-GDBMZVCRSA-N 2 2 244.382 2.714 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)[C@@H]1C[C@@H]1C ZINC000322139214 259491982 /nfs/dbraw/zinc/49/19/82/259491982.db2.gz GKOGAPAFSLDTIY-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP C/C=C/C[C@@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628495142 359697223 /nfs/dbraw/zinc/69/72/23/359697223.db2.gz JLXXYPFNNSPMMC-ISZGNANSSA-N 2 2 247.386 2.907 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000578615237 366607247 /nfs/dbraw/zinc/60/72/47/366607247.db2.gz ZUKOJRMZNGDUCM-HSBZDZAISA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000578615237 366607251 /nfs/dbraw/zinc/60/72/51/366607251.db2.gz ZUKOJRMZNGDUCM-HSBZDZAISA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)o2)CC[N@@H+]1C ZINC000090720213 360085339 /nfs/dbraw/zinc/08/53/39/360085339.db2.gz WGMYGUMUZJDSER-UWVGGRQHSA-N 2 2 242.750 2.505 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)o2)CC[N@H+]1C ZINC000090720213 360085341 /nfs/dbraw/zinc/08/53/41/360085341.db2.gz WGMYGUMUZJDSER-UWVGGRQHSA-N 2 2 242.750 2.505 20 0 BFADLP CC(C)C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000094079539 360295247 /nfs/dbraw/zinc/29/52/47/360295247.db2.gz HYZFFSUFJSEHOW-GJZGRUSLSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097927572 360382518 /nfs/dbraw/zinc/38/25/18/360382518.db2.gz BADWLNBHNLABGL-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CC([NH2+]CC2([NH+](C)C)CCC2)C[C@H](C)C1 ZINC000097929047 360383468 /nfs/dbraw/zinc/38/34/68/360383468.db2.gz QTHVVHLZRZMUNC-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000149331354 192890705 /nfs/dbraw/zinc/89/07/05/192890705.db2.gz LXMQOJKTINRSSG-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C)[NH+](C)C ZINC000449557709 200690573 /nfs/dbraw/zinc/69/05/73/200690573.db2.gz SKBIDPFOONJCQY-DARAHFNDSA-N 2 2 246.398 2.718 20 0 BFADLP CC1(C[NH2+]CC[NH+]2CCCCCC2)CCC1 ZINC000309636437 491153362 /nfs/dbraw/zinc/15/33/62/491153362.db2.gz SQWZGVYHCHJZNY-UHFFFAOYSA-N 2 2 224.392 2.642 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000629407376 361056012 /nfs/dbraw/zinc/05/60/12/361056012.db2.gz YMRLTYDDBRDLQQ-GXFFZTMASA-N 2 2 246.379 2.741 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000629388830 361035255 /nfs/dbraw/zinc/03/52/55/361035255.db2.gz QXKDXLHHYNPGEC-JKSUJKDBSA-N 2 2 244.382 2.794 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629393531 361042284 /nfs/dbraw/zinc/04/22/84/361042284.db2.gz BQBQRWQGFNABRT-HIFRSBDPSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000629394208 361043484 /nfs/dbraw/zinc/04/34/84/361043484.db2.gz GXWSYOQFOBGDOF-GOEBONIOSA-N 2 2 246.398 2.842 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C)c(C)c1 ZINC000629390632 361044078 /nfs/dbraw/zinc/04/40/78/361044078.db2.gz JIEOSLBMZPRWOL-LSDHHAIUSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629396831 361047106 /nfs/dbraw/zinc/04/71/06/361047106.db2.gz VBHLLXKKNHENDZ-UKRRQHHQSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000629405005 361054562 /nfs/dbraw/zinc/05/45/62/361054562.db2.gz FVEDKIZSTZSXMO-BLLLJJGKSA-N 2 2 240.350 2.680 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C[NH2+]1 ZINC000629414433 361060302 /nfs/dbraw/zinc/06/03/02/361060302.db2.gz OPPAPWVYFPTIKE-WFASDCNBSA-N 2 2 244.382 2.794 20 0 BFADLP CCc1nc(C(C)C)ccc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000629509333 361103138 /nfs/dbraw/zinc/10/31/38/361103138.db2.gz CGZSSRLXSHDQGI-GFCCVEGCSA-N 2 2 249.402 2.546 20 0 BFADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000629509333 361103142 /nfs/dbraw/zinc/10/31/42/361103142.db2.gz CGZSSRLXSHDQGI-GFCCVEGCSA-N 2 2 249.402 2.546 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1cccnc1)C(C)C ZINC000629527329 361129793 /nfs/dbraw/zinc/12/97/93/361129793.db2.gz RWFVRZLOGBYZFT-ZNMIVQPWSA-N 2 2 247.386 2.509 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccsc1 ZINC000629527612 361134142 /nfs/dbraw/zinc/13/41/42/361134142.db2.gz AEAQHGZEDWZEOD-RWMBFGLXSA-N 2 2 238.400 2.929 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(C)s1 ZINC000629526189 361127747 /nfs/dbraw/zinc/12/77/47/361127747.db2.gz MRKXSHJPWLDGDK-SDDRHHMPSA-N 2 2 238.400 2.848 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])o1 ZINC000424374498 200925494 /nfs/dbraw/zinc/92/54/94/200925494.db2.gz LGNQBHDKOZJHSV-CYZMBNFOSA-N 2 2 236.359 2.763 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543966 361412920 /nfs/dbraw/zinc/41/29/20/361412920.db2.gz HGBOWOVFCZDHEC-AYRXBEOTSA-N 2 2 244.382 2.883 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cs1 ZINC000629534760 361408693 /nfs/dbraw/zinc/40/86/93/361408693.db2.gz AZEMQTNNNKEZPF-CDMKHQONSA-N 2 2 238.400 2.848 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccnc1 ZINC000629542859 361420363 /nfs/dbraw/zinc/42/03/63/361420363.db2.gz NRJMNTLFRWPDDH-QEJZJMRPSA-N 2 2 247.386 2.653 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000629545547 361426853 /nfs/dbraw/zinc/42/68/53/361426853.db2.gz MAGJKMARDICRLZ-NWANDNLSSA-N 2 2 232.371 2.868 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(C2CC2)c1 ZINC000629548320 361432913 /nfs/dbraw/zinc/43/29/13/361432913.db2.gz YZGWQYSYTQKNHV-MQIPJXDCSA-N 2 2 244.382 2.965 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000629548952 361434091 /nfs/dbraw/zinc/43/40/91/361434091.db2.gz SOXKMWRJRGJNGO-NILFDRSVSA-N 2 2 244.382 2.749 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000629549476 361441859 /nfs/dbraw/zinc/44/18/59/361441859.db2.gz WLLBKBWHPJWNBV-NOXHYTERSA-N 2 2 244.382 2.965 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000629549712 361443250 /nfs/dbraw/zinc/44/32/50/361443250.db2.gz YYXUBYUWOIJZBR-MAZHCROVSA-N 2 2 244.382 2.868 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3F)C[NH2+]1 ZINC000629542211 361418547 /nfs/dbraw/zinc/41/85/47/361418547.db2.gz ZYONYYZCVDCNNY-JRPNMDOOSA-N 2 2 248.345 2.543 20 0 BFADLP C[NH2+]c1ccc(NC[C@H]([NH3+])CC(C)C)cc1 ZINC000629657205 361561746 /nfs/dbraw/zinc/56/17/46/361561746.db2.gz UVDFMCCLEGUSNM-LLVKDONJSA-N 2 2 221.348 2.514 20 0 BFADLP CC[C@H](Cc1cccs1)[NH2+][C@@H](C)C[NH+](C)C ZINC000310001357 491158964 /nfs/dbraw/zinc/15/89/64/491158964.db2.gz DZDGSTGQUWZFGG-NWDGAFQWSA-N 2 2 240.416 2.609 20 0 BFADLP Cc1cccc(C)c1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435229563 201254576 /nfs/dbraw/zinc/25/45/76/201254576.db2.gz JIMSEVJVCPCEGR-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000435229563 201254578 /nfs/dbraw/zinc/25/45/78/201254578.db2.gz JIMSEVJVCPCEGR-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000435390070 201267384 /nfs/dbraw/zinc/26/73/84/201267384.db2.gz QIOXEVMAMKSMNZ-LBPRGKRZSA-N 2 2 244.338 2.726 20 0 BFADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000435390070 201267386 /nfs/dbraw/zinc/26/73/86/201267386.db2.gz QIOXEVMAMKSMNZ-LBPRGKRZSA-N 2 2 244.338 2.726 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@]23C[C@H]2CCCC3)[nH+]1 ZINC000631227638 361664539 /nfs/dbraw/zinc/66/45/39/361664539.db2.gz SGASKQQVJZXRKH-IUODEOHRSA-N 2 2 241.338 2.757 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000437106940 201346621 /nfs/dbraw/zinc/34/66/21/201346621.db2.gz NXBGNMIYYLTSLC-GXTWGEPZSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000437106940 201346624 /nfs/dbraw/zinc/34/66/24/201346624.db2.gz NXBGNMIYYLTSLC-GXTWGEPZSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H](C)C1CCCC1)C1CC1 ZINC000155883668 201364543 /nfs/dbraw/zinc/36/45/43/201364543.db2.gz DDHJIVGRNOUAOW-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H](C)C1CCCC1)C1CC1 ZINC000155883668 201364546 /nfs/dbraw/zinc/36/45/46/201364546.db2.gz DDHJIVGRNOUAOW-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C(C)(C)C ZINC000156013554 201382191 /nfs/dbraw/zinc/38/21/91/201382191.db2.gz BGCSFUIVFDSICL-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182057774 366863190 /nfs/dbraw/zinc/86/31/90/366863190.db2.gz KRXOZOCMMPBZOP-HNNXBMFYSA-N 2 2 248.414 2.795 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000182057774 366863192 /nfs/dbraw/zinc/86/31/92/366863192.db2.gz KRXOZOCMMPBZOP-HNNXBMFYSA-N 2 2 248.414 2.795 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccs1 ZINC000398992053 364668590 /nfs/dbraw/zinc/66/85/90/364668590.db2.gz MDLPCQBUFVUYIR-UTUOFQBUSA-N 2 2 238.400 2.929 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000399001963 364692780 /nfs/dbraw/zinc/69/27/80/364692780.db2.gz SXICGEBQVUCODR-USWWRNFRSA-N 2 2 238.400 2.848 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000399016755 364723590 /nfs/dbraw/zinc/72/35/90/364723590.db2.gz GHRLKFZSHGVQLY-MNOVXSKESA-N 2 2 238.400 2.541 20 0 BFADLP Cc1ccccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000573664468 364886593 /nfs/dbraw/zinc/88/65/93/364886593.db2.gz BVTPISVHTCYUMA-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000573664468 364886596 /nfs/dbraw/zinc/88/65/96/364886596.db2.gz BVTPISVHTCYUMA-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000573664468 364886597 /nfs/dbraw/zinc/88/65/97/364886597.db2.gz BVTPISVHTCYUMA-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP CC1(C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CCC1 ZINC000434791527 541391379 /nfs/dbraw/zinc/39/13/79/541391379.db2.gz DFCMNRNPTLLDJR-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CCC1 ZINC000434791527 541391384 /nfs/dbraw/zinc/39/13/84/541391384.db2.gz DFCMNRNPTLLDJR-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)n1C ZINC000573935092 364950842 /nfs/dbraw/zinc/95/08/42/364950842.db2.gz BNWOVEFPQVOJRQ-YPMHNXCESA-N 2 2 235.375 2.644 20 0 BFADLP CC(C)[N@H+](C)CCNc1[nH+]ccc2ccccc21 ZINC000168681342 364985240 /nfs/dbraw/zinc/98/52/40/364985240.db2.gz XYNKHKLCVBXQSX-UHFFFAOYSA-N 2 2 243.354 2.987 20 0 BFADLP CC(C)[N@@H+](C)CCNc1[nH+]ccc2ccccc21 ZINC000168681342 364985246 /nfs/dbraw/zinc/98/52/46/364985246.db2.gz XYNKHKLCVBXQSX-UHFFFAOYSA-N 2 2 243.354 2.987 20 0 BFADLP CC1(C)CC([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000574054195 364978632 /nfs/dbraw/zinc/97/86/32/364978632.db2.gz IXTHKVZHEVFBBG-UHFFFAOYSA-N 2 2 229.327 2.613 20 0 BFADLP CC[NH2+]CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000574683379 365118220 /nfs/dbraw/zinc/11/82/20/365118220.db2.gz DUBBPYPQIBEZKK-SNVBAGLBSA-N 2 2 242.313 2.615 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC[C@H](F)C1 ZINC000574847276 365158537 /nfs/dbraw/zinc/15/85/37/365158537.db2.gz YWWZCYGRBUTISB-UONOGXRCSA-N 2 2 236.334 2.803 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000575600856 365334036 /nfs/dbraw/zinc/33/40/36/365334036.db2.gz QYWHWDUIZPMLTK-MNOVXSKESA-N 2 2 235.375 2.681 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000575600856 365334041 /nfs/dbraw/zinc/33/40/41/365334041.db2.gz QYWHWDUIZPMLTK-MNOVXSKESA-N 2 2 235.375 2.681 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000575978840 365432098 /nfs/dbraw/zinc/43/20/98/365432098.db2.gz UTTSSNHXQRZJOE-CWRNSKLLSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000575978840 365432105 /nfs/dbraw/zinc/43/21/05/365432105.db2.gz UTTSSNHXQRZJOE-CWRNSKLLSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000575978840 365432111 /nfs/dbraw/zinc/43/21/11/365432111.db2.gz UTTSSNHXQRZJOE-CWRNSKLLSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000575978840 365432118 /nfs/dbraw/zinc/43/21/18/365432118.db2.gz UTTSSNHXQRZJOE-CWRNSKLLSA-N 2 2 244.382 2.916 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2CCCC23CC3)c[nH+]1 ZINC000576122603 365494499 /nfs/dbraw/zinc/49/44/99/365494499.db2.gz HESFVZJWPYMCNJ-CYBMUJFWSA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000182788056 366941226 /nfs/dbraw/zinc/94/12/26/366941226.db2.gz VSMRMOLPGLQUDR-CQSZACIVSA-N 2 2 235.375 2.785 20 0 BFADLP CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000182788056 366941232 /nfs/dbraw/zinc/94/12/32/366941232.db2.gz VSMRMOLPGLQUDR-CQSZACIVSA-N 2 2 235.375 2.785 20 0 BFADLP CC[C@@]1(C)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182802819 366944015 /nfs/dbraw/zinc/94/40/15/366944015.db2.gz KLGISPRALUAKRB-AWEZNQCLSA-N 2 2 235.375 2.785 20 0 BFADLP CC[C@@]1(C)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182802819 366944019 /nfs/dbraw/zinc/94/40/19/366944019.db2.gz KLGISPRALUAKRB-AWEZNQCLSA-N 2 2 235.375 2.785 20 0 BFADLP c1ccc([C@@H](CC2CC2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000580886997 367196875 /nfs/dbraw/zinc/19/68/75/367196875.db2.gz MFLWLPJDVMXDGG-JKSUJKDBSA-N 2 2 244.382 2.869 20 0 BFADLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]CC1(C)CC1 ZINC000381039248 367341206 /nfs/dbraw/zinc/34/12/06/367341206.db2.gz BVTIXPFLDMJMDQ-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+]C1CCCCCC1)Cn1cc[nH+]c1 ZINC000195251188 367351502 /nfs/dbraw/zinc/35/15/02/367351502.db2.gz WMTAXZCCKWEUFP-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000581245488 367306303 /nfs/dbraw/zinc/30/63/03/367306303.db2.gz CHKRWJOLQFHPMN-MAZHCROVSA-N 2 2 244.382 2.712 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000381337996 367382676 /nfs/dbraw/zinc/38/26/76/367382676.db2.gz WNPSMTAECBGEGQ-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000381337996 367382681 /nfs/dbraw/zinc/38/26/81/367382681.db2.gz WNPSMTAECBGEGQ-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCCCCC1 ZINC000381502085 367420311 /nfs/dbraw/zinc/42/03/11/367420311.db2.gz PCVNAQHXIYNLSK-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C[NH2+]1 ZINC000399130574 367598233 /nfs/dbraw/zinc/59/82/33/367598233.db2.gz WVUMYKOZXMXMFE-UHOFOFEASA-N 2 2 244.382 2.868 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000399122267 367595976 /nfs/dbraw/zinc/59/59/76/367595976.db2.gz IFDFMFBFMPCBBK-RDBSUJKOSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000385245227 367812152 /nfs/dbraw/zinc/81/21/52/367812152.db2.gz VNQLKAZHMHBQLU-GFCCVEGCSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[NH+]1CCCCC1 ZINC000385124331 367796863 /nfs/dbraw/zinc/79/68/63/367796863.db2.gz KMDBXRKMNGHJBG-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CCc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386075582 367909156 /nfs/dbraw/zinc/90/91/56/367909156.db2.gz GABLPGXZLGIPNL-BBRMVZONSA-N 2 2 246.398 2.869 20 0 BFADLP Cc1cscc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386531582 367987815 /nfs/dbraw/zinc/98/78/15/367987815.db2.gz ARVJWUSLFMYLNW-YPMHNXCESA-N 2 2 238.400 2.677 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386607182 368000385 /nfs/dbraw/zinc/00/03/85/368000385.db2.gz VXUWDYYSGMDYHK-DZGCQCFKSA-N 2 2 232.371 2.615 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccs1 ZINC000399257079 368048695 /nfs/dbraw/zinc/04/86/95/368048695.db2.gz NUVKOHIXCOHXSN-VWYCJHECSA-N 2 2 224.373 2.539 20 0 BFADLP CC(C)C[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000567565625 326218202 /nfs/dbraw/zinc/21/82/02/326218202.db2.gz OOAZEVQSSHFGHS-QLFBSQMISA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@@H](C)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000567565625 326218204 /nfs/dbraw/zinc/21/82/04/326218204.db2.gz OOAZEVQSSHFGHS-QLFBSQMISA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000567565625 326218207 /nfs/dbraw/zinc/21/82/07/326218207.db2.gz OOAZEVQSSHFGHS-QLFBSQMISA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@@H](C)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000567565625 326218210 /nfs/dbraw/zinc/21/82/10/326218210.db2.gz OOAZEVQSSHFGHS-QLFBSQMISA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459358555 203266436 /nfs/dbraw/zinc/26/64/36/203266436.db2.gz BCYOFEWCMWICFW-HIFPTAJRSA-N 2 2 235.375 2.686 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459361168 203269276 /nfs/dbraw/zinc/26/92/76/203269276.db2.gz FXRDFOILHTVUFQ-RUXDESIVSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459361168 203269280 /nfs/dbraw/zinc/26/92/80/203269280.db2.gz FXRDFOILHTVUFQ-RUXDESIVSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459660334 203331844 /nfs/dbraw/zinc/33/18/44/203331844.db2.gz KYVBFWXFRVHMKN-ZFWWWQNUSA-N 2 2 247.386 2.545 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661622 203333797 /nfs/dbraw/zinc/33/37/97/203333797.db2.gz MTMDQZSAAQHGBI-OLZOCXBDSA-N 2 2 237.391 2.767 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000631859888 369468224 /nfs/dbraw/zinc/46/82/24/369468224.db2.gz FQCAUPZLMBGKFG-BXKDBHETSA-N 2 2 240.297 2.546 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000631859888 369468227 /nfs/dbraw/zinc/46/82/27/369468227.db2.gz FQCAUPZLMBGKFG-BXKDBHETSA-N 2 2 240.297 2.546 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621777849 370527121 /nfs/dbraw/zinc/52/71/21/370527121.db2.gz HVOZWWNRNNPQQT-ZLDLUXBVSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621777849 370527129 /nfs/dbraw/zinc/52/71/29/370527129.db2.gz HVOZWWNRNNPQQT-ZLDLUXBVSA-N 2 2 248.345 2.700 20 0 BFADLP CC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CCC1 ZINC000623728563 371069964 /nfs/dbraw/zinc/06/99/64/371069964.db2.gz QRTJSCHNTWNASF-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CCC1 ZINC000623728563 371069967 /nfs/dbraw/zinc/06/99/67/371069967.db2.gz QRTJSCHNTWNASF-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC23CC3)C[N@@H+]1C1CC1 ZINC000623825231 371112793 /nfs/dbraw/zinc/11/27/93/371112793.db2.gz ZLKGWJWNDZAOCE-RDBSUJKOSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC23CC3)C[N@H+]1C1CC1 ZINC000623825231 371112795 /nfs/dbraw/zinc/11/27/95/371112795.db2.gz ZLKGWJWNDZAOCE-RDBSUJKOSA-N 2 2 248.414 2.782 20 0 BFADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000623984131 371217578 /nfs/dbraw/zinc/21/75/78/371217578.db2.gz YOHNTOHWUCCOAH-HOCLYGCPSA-N 2 2 248.414 2.938 20 0 BFADLP C[C@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101596 371307598 /nfs/dbraw/zinc/30/75/98/371307598.db2.gz QKRLCQDGBXVJPD-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101596 371307605 /nfs/dbraw/zinc/30/76/05/371307605.db2.gz QKRLCQDGBXVJPD-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624271755 371449727 /nfs/dbraw/zinc/44/97/27/371449727.db2.gz CPDVZRRJUXVXPP-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624271755 371449734 /nfs/dbraw/zinc/44/97/34/371449734.db2.gz CPDVZRRJUXVXPP-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624271756 371449808 /nfs/dbraw/zinc/44/98/08/371449808.db2.gz CPDVZRRJUXVXPP-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624271756 371449813 /nfs/dbraw/zinc/44/98/13/371449813.db2.gz CPDVZRRJUXVXPP-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000624270261 371451285 /nfs/dbraw/zinc/45/12/85/371451285.db2.gz CJBSIFZHYZASRH-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000624270261 371451293 /nfs/dbraw/zinc/45/12/93/371451293.db2.gz CJBSIFZHYZASRH-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1C ZINC000624271776 371452549 /nfs/dbraw/zinc/45/25/49/371452549.db2.gz DLTQOGTWLSFMEE-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1C ZINC000624271776 371452553 /nfs/dbraw/zinc/45/25/53/371452553.db2.gz DLTQOGTWLSFMEE-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000232730772 372156567 /nfs/dbraw/zinc/15/65/67/372156567.db2.gz PWLMRPRIEVVEGX-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000232730772 372156569 /nfs/dbraw/zinc/15/65/69/372156569.db2.gz PWLMRPRIEVVEGX-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1scc(C[NH2+]C2CC([NH+](C)C)C2)c1C ZINC000631166047 372214148 /nfs/dbraw/zinc/21/41/48/372214148.db2.gz DLBFXTDTYLDEAT-UHFFFAOYSA-N 2 2 238.400 2.547 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CCC1 ZINC000178138170 134306290 /nfs/dbraw/zinc/30/62/90/134306290.db2.gz CFZFSOPZSVHPAT-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCCCC1 ZINC000167340834 206144092 /nfs/dbraw/zinc/14/40/92/206144092.db2.gz ANDDJKRTCRBZRE-TZMCWYRMSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220571056 134309533 /nfs/dbraw/zinc/30/95/33/134309533.db2.gz GCZINYRJEHKQIR-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220571056 134309534 /nfs/dbraw/zinc/30/95/34/134309534.db2.gz GCZINYRJEHKQIR-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101547037 169081405 /nfs/dbraw/zinc/08/14/05/169081405.db2.gz LOUVBMCQVACDQL-UHFFFAOYSA-N 2 2 229.327 2.714 20 0 BFADLP CCC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000101547037 169081407 /nfs/dbraw/zinc/08/14/07/169081407.db2.gz LOUVBMCQVACDQL-UHFFFAOYSA-N 2 2 229.327 2.714 20 0 BFADLP CCC[N@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000271803635 169128659 /nfs/dbraw/zinc/12/86/59/169128659.db2.gz LWKIRMQMWSGSAA-UHFFFAOYSA-N 2 2 217.316 2.566 20 0 BFADLP CCC[N@@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000271803635 169128662 /nfs/dbraw/zinc/12/86/62/169128662.db2.gz LWKIRMQMWSGSAA-UHFFFAOYSA-N 2 2 217.316 2.566 20 0 BFADLP CCC[NH+]1CCC(CNc2cccc[nH+]2)CC1 ZINC000357227410 169186474 /nfs/dbraw/zinc/18/64/74/169186474.db2.gz VAOYCYUKCISWSE-UHFFFAOYSA-N 2 2 233.359 2.616 20 0 BFADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000020189723 169189221 /nfs/dbraw/zinc/18/92/21/169189221.db2.gz CZIVNXLCHXSWFI-LBPRGKRZSA-N 2 2 236.359 2.805 20 0 BFADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000020189725 169189551 /nfs/dbraw/zinc/18/95/51/169189551.db2.gz CZIVNXLCHXSWFI-GFCCVEGCSA-N 2 2 236.359 2.805 20 0 BFADLP c1c[nH+]c(C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000336353894 183322781 /nfs/dbraw/zinc/32/27/81/183322781.db2.gz IVXUPOCFBSLNRW-UHFFFAOYSA-N 2 2 219.332 2.532 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CCC[C@H]2C2CC2)[nH+]1 ZINC000371426865 183342575 /nfs/dbraw/zinc/34/25/75/183342575.db2.gz RIYWMJAEFFKFAW-AWEZNQCLSA-N 2 2 241.338 2.709 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CCC[C@H]2C2CC2)[nH+]1 ZINC000371426865 183342577 /nfs/dbraw/zinc/34/25/77/183342577.db2.gz RIYWMJAEFFKFAW-AWEZNQCLSA-N 2 2 241.338 2.709 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349130987 169359435 /nfs/dbraw/zinc/35/94/35/169359435.db2.gz OWJUHLPSVDFBJV-OLZOCXBDSA-N 2 2 235.375 2.646 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349130987 169359436 /nfs/dbraw/zinc/35/94/36/169359436.db2.gz OWJUHLPSVDFBJV-OLZOCXBDSA-N 2 2 235.375 2.646 20 0 BFADLP CCC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179520431 134320996 /nfs/dbraw/zinc/32/09/96/134320996.db2.gz JWAINEVSNVDHOC-ZDUSSCGKSA-N 2 2 221.348 2.538 20 0 BFADLP CCC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000179520431 134320997 /nfs/dbraw/zinc/32/09/97/134320997.db2.gz JWAINEVSNVDHOC-ZDUSSCGKSA-N 2 2 221.348 2.538 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000222816774 134335086 /nfs/dbraw/zinc/33/50/86/134335086.db2.gz ZENOPBHRWKTXKD-BZPMIXESSA-N 2 2 224.392 2.636 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000222816774 134335087 /nfs/dbraw/zinc/33/50/87/134335087.db2.gz ZENOPBHRWKTXKD-BZPMIXESSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000226314040 134360303 /nfs/dbraw/zinc/36/03/03/134360303.db2.gz URXRNZAQWUJQEF-XQQFMLRXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CC1)[N@H+]1CCCC[C@@H]1C ZINC000226314040 134360304 /nfs/dbraw/zinc/36/03/04/134360304.db2.gz URXRNZAQWUJQEF-XQQFMLRXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000035738549 383873675 /nfs/dbraw/zinc/87/36/75/383873675.db2.gz NGQKWQSIFPQFCT-ODWCKFRGSA-N 2 2 234.343 2.555 20 0 BFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000035738549 383873680 /nfs/dbraw/zinc/87/36/80/383873680.db2.gz NGQKWQSIFPQFCT-ODWCKFRGSA-N 2 2 234.343 2.555 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C/C=C/c2ccccc2)n1C ZINC000517759937 383876857 /nfs/dbraw/zinc/87/68/57/383876857.db2.gz XCASREYGMMCXDE-RMKNXTFCSA-N 2 2 241.338 2.532 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000449339718 383905193 /nfs/dbraw/zinc/90/51/93/383905193.db2.gz UWRHINWTITZQMM-QWRGUYRKSA-N 2 2 235.375 2.681 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000449339718 383905198 /nfs/dbraw/zinc/90/51/98/383905198.db2.gz UWRHINWTITZQMM-QWRGUYRKSA-N 2 2 235.375 2.681 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000401770788 383980289 /nfs/dbraw/zinc/98/02/89/383980289.db2.gz JIIVRHFKTLYVTA-YUTCNCBUSA-N 2 2 232.371 2.644 20 0 BFADLP CC[C@H]([NH2+]CCCc1c[nH+]ccc1C)C(F)F ZINC000449358930 383969777 /nfs/dbraw/zinc/96/97/77/383969777.db2.gz GWGCBRAZGXTZIY-LBPRGKRZSA-N 2 2 242.313 2.956 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000038087446 384067929 /nfs/dbraw/zinc/06/79/29/384067929.db2.gz DFLQFNCKTBPBHP-DZGCQCFKSA-N 2 2 234.387 2.923 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C(C)(C)C ZINC000090846835 384078112 /nfs/dbraw/zinc/07/81/12/384078112.db2.gz RDEQURALZINKJR-GFCCVEGCSA-N 2 2 220.360 2.957 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313250113 384151780 /nfs/dbraw/zinc/15/17/80/384151780.db2.gz BJLXDFNVYXDBJF-GJZGRUSLSA-N 2 2 249.402 2.767 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000560470192 384154500 /nfs/dbraw/zinc/15/45/00/384154500.db2.gz HPHIHYFCERXPSC-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000560470192 384154506 /nfs/dbraw/zinc/15/45/06/384154506.db2.gz HPHIHYFCERXPSC-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000569516255 384163194 /nfs/dbraw/zinc/16/31/94/384163194.db2.gz HBLPKJVWULJDTR-LSDHHAIUSA-N 2 2 236.403 2.949 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000569516255 384163197 /nfs/dbraw/zinc/16/31/97/384163197.db2.gz HBLPKJVWULJDTR-LSDHHAIUSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050227969 384168982 /nfs/dbraw/zinc/16/89/82/384168982.db2.gz SIZAUEVELYSPLK-DOMZBBRYSA-N 2 2 232.371 2.904 20 0 BFADLP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050227969 384168984 /nfs/dbraw/zinc/16/89/84/384168984.db2.gz SIZAUEVELYSPLK-DOMZBBRYSA-N 2 2 232.371 2.904 20 0 BFADLP c1coc(C[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000119025246 384226016 /nfs/dbraw/zinc/22/60/16/384226016.db2.gz HLJCIPKIWXXJGW-UHFFFAOYSA-N 2 2 245.326 2.657 20 0 BFADLP CC[C@@H](C)C[NH2+]CCCNc1cccc[nH+]1 ZINC000133580622 384254005 /nfs/dbraw/zinc/25/40/05/384254005.db2.gz DGOATZGJNSNSGY-GFCCVEGCSA-N 2 2 221.348 2.519 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCC3)C[N@@H+]1C1CC1 ZINC000449182059 384256678 /nfs/dbraw/zinc/25/66/78/384256678.db2.gz BPFXYJKDBRXQQL-UMVBOHGHSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CCC3)C[N@H+]1C1CC1 ZINC000449182059 384256681 /nfs/dbraw/zinc/25/66/81/384256681.db2.gz BPFXYJKDBRXQQL-UMVBOHGHSA-N 2 2 248.414 2.924 20 0 BFADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000549038538 384263477 /nfs/dbraw/zinc/26/34/77/384263477.db2.gz DTMRTJQXXFWZIV-XZDPQHSOSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CCCC[N@H+]1C1CC1 ZINC000549038538 384263479 /nfs/dbraw/zinc/26/34/79/384263479.db2.gz DTMRTJQXXFWZIV-XZDPQHSOSA-N 2 2 248.414 2.782 20 0 BFADLP CCc1ccccc1C[NH2+]CC[NH2+]C(C)(C)C ZINC000228728474 384317741 /nfs/dbraw/zinc/31/77/41/384317741.db2.gz CEFSDJMHXCJQEX-UHFFFAOYSA-N 2 2 234.387 2.727 20 0 BFADLP Cc1cc[nH+]c(NCC[NH+]2CCC(C)CC2)c1 ZINC000043561599 384287550 /nfs/dbraw/zinc/28/75/50/384287550.db2.gz CFJAHVLVINKXDY-UHFFFAOYSA-N 2 2 233.359 2.534 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000158771825 384291071 /nfs/dbraw/zinc/29/10/71/384291071.db2.gz BFRGGQYFFDAOKI-ZDUSSCGKSA-N 2 2 212.381 2.663 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CCC=C(C)C ZINC000158771825 384291076 /nfs/dbraw/zinc/29/10/76/384291076.db2.gz BFRGGQYFFDAOKI-ZDUSSCGKSA-N 2 2 212.381 2.663 20 0 BFADLP Cc1ccc([C@H](C[NH2+]C(C)C)[NH+](C)C)cc1 ZINC000075825480 384339840 /nfs/dbraw/zinc/33/98/40/384339840.db2.gz BQRBBRFZJWTYDD-AWEZNQCLSA-N 2 2 220.360 2.596 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)c1ccccc1 ZINC000076399742 384371362 /nfs/dbraw/zinc/37/13/62/384371362.db2.gz PKQCOIPQUABPAA-GFCCVEGCSA-N 2 2 243.354 2.866 20 0 BFADLP Cc1sccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000335557888 384326561 /nfs/dbraw/zinc/32/65/61/384326561.db2.gz LEAQNWRRXWOARZ-GXFFZTMASA-N 2 2 238.400 2.629 20 0 BFADLP Cc1sccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000335557888 384326566 /nfs/dbraw/zinc/32/65/66/384326566.db2.gz LEAQNWRRXWOARZ-GXFFZTMASA-N 2 2 238.400 2.629 20 0 BFADLP Cc1ccoc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000134767519 384388121 /nfs/dbraw/zinc/38/81/21/384388121.db2.gz QLOZDDCPEUKEGJ-UHFFFAOYSA-N 2 2 236.359 2.554 20 0 BFADLP C[N@H+](Cc1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000036300932 384452298 /nfs/dbraw/zinc/45/22/98/384452298.db2.gz FILSQAWPVUUWRV-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP C[N@@H+](Cc1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000036300932 384452303 /nfs/dbraw/zinc/45/23/03/384452303.db2.gz FILSQAWPVUUWRV-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CC ZINC000161165126 384470097 /nfs/dbraw/zinc/47/00/97/384470097.db2.gz ZJWJYTOUEXMCGS-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CC ZINC000161165126 384470101 /nfs/dbraw/zinc/47/01/01/384470101.db2.gz ZJWJYTOUEXMCGS-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000122768291 384508319 /nfs/dbraw/zinc/50/83/19/384508319.db2.gz ZTTFGIRBCVQCDH-CQSZACIVSA-N 2 2 224.392 2.664 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H]1CC=CCC1 ZINC000122768291 384508323 /nfs/dbraw/zinc/50/83/23/384508323.db2.gz ZTTFGIRBCVQCDH-CQSZACIVSA-N 2 2 224.392 2.664 20 0 BFADLP CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CC1(C)C ZINC000397567020 384490691 /nfs/dbraw/zinc/49/06/91/384490691.db2.gz BEVPLPLGLJEVRW-UONOGXRCSA-N 2 2 249.402 2.767 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)C ZINC000085442769 384525449 /nfs/dbraw/zinc/52/54/49/384525449.db2.gz YVCNTJJOMRGCGA-UHFFFAOYSA-N 2 2 206.333 2.568 20 0 BFADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000041063708 384603855 /nfs/dbraw/zinc/60/38/55/384603855.db2.gz JNAIYRGLTBUCJM-RBSFLKMASA-N 2 2 249.402 2.934 20 0 BFADLP Cc1cccc(NCC[N@@H+]2CCCC(C)(C)C2)[nH+]1 ZINC000443962154 384604690 /nfs/dbraw/zinc/60/46/90/384604690.db2.gz MEJGOHHHCKUACC-UHFFFAOYSA-N 2 2 247.386 2.924 20 0 BFADLP Cc1cccc(NCC[N@H+]2CCCC(C)(C)C2)[nH+]1 ZINC000443962154 384604698 /nfs/dbraw/zinc/60/46/98/384604698.db2.gz MEJGOHHHCKUACC-UHFFFAOYSA-N 2 2 247.386 2.924 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@H]2C)c[nH+]1 ZINC000309785545 384608721 /nfs/dbraw/zinc/60/87/21/384608721.db2.gz NWZSQEMXRVVUII-RISCZKNCSA-N 2 2 218.344 2.711 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000124321183 384631667 /nfs/dbraw/zinc/63/16/67/384631667.db2.gz FEMPISFNGBAOPM-UHFFFAOYSA-N 2 2 247.317 2.544 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000124321183 384631675 /nfs/dbraw/zinc/63/16/75/384631675.db2.gz FEMPISFNGBAOPM-UHFFFAOYSA-N 2 2 247.317 2.544 20 0 BFADLP c1cn(CCCC[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c[nH+]1 ZINC000403330471 384636193 /nfs/dbraw/zinc/63/61/93/384636193.db2.gz FVOQHZHFTHIASM-QLFBSQMISA-N 2 2 247.386 2.689 20 0 BFADLP CSC[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000309837045 384659766 /nfs/dbraw/zinc/65/97/66/384659766.db2.gz BONQUPNFAPDTHW-GFCCVEGCSA-N 2 2 238.400 2.664 20 0 BFADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@@H+]1CC1CCCCCC1 ZINC000647539728 384678181 /nfs/dbraw/zinc/67/81/81/384678181.db2.gz DAVMGYUJGWCFSD-KBPBESRZSA-N 2 2 242.382 2.589 20 0 BFADLP C[NH2+]C[C@@H]1C[C@H](F)C[N@H+]1CC1CCCCCC1 ZINC000647539728 384678187 /nfs/dbraw/zinc/67/81/87/384678187.db2.gz DAVMGYUJGWCFSD-KBPBESRZSA-N 2 2 242.382 2.589 20 0 BFADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548870 384740664 /nfs/dbraw/zinc/74/06/64/384740664.db2.gz YXGSZUAONRHRCK-GMZLATJGSA-N 2 2 244.382 2.508 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553593 384768000 /nfs/dbraw/zinc/76/80/00/384768000.db2.gz DRCINQZFYJBINW-HNNXBMFYSA-N 2 2 244.382 2.759 20 0 BFADLP Fc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554069 384772506 /nfs/dbraw/zinc/77/25/06/384772506.db2.gz QGTFFFZWBMKSMA-CQSZACIVSA-N 2 2 248.345 2.590 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423246432 384784529 /nfs/dbraw/zinc/78/45/29/384784529.db2.gz KAVUBRVLVPJMAQ-KKUMJFAQSA-N 2 2 232.371 2.711 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000053389687 384787860 /nfs/dbraw/zinc/78/78/60/384787860.db2.gz PTMFJYJBPZIBPI-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000053389687 384787865 /nfs/dbraw/zinc/78/78/65/384787865.db2.gz PTMFJYJBPZIBPI-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP C[N@H+](Cc1cccc(Cl)c1)CC(C)(C)[NH3+] ZINC000042437374 384794764 /nfs/dbraw/zinc/79/47/64/384794764.db2.gz RKXAWHOOWFWRMU-UHFFFAOYSA-N 2 2 226.751 2.509 20 0 BFADLP C[N@@H+](Cc1cccc(Cl)c1)CC(C)(C)[NH3+] ZINC000042437374 384794770 /nfs/dbraw/zinc/79/47/70/384794770.db2.gz RKXAWHOOWFWRMU-UHFFFAOYSA-N 2 2 226.751 2.509 20 0 BFADLP CC(C)=CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000309751657 384799971 /nfs/dbraw/zinc/79/99/71/384799971.db2.gz GWHLWFSGYNKCDJ-QWHCGFSZSA-N 2 2 222.376 2.558 20 0 BFADLP CC(C)=CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000309751657 384799982 /nfs/dbraw/zinc/79/99/82/384799982.db2.gz GWHLWFSGYNKCDJ-QWHCGFSZSA-N 2 2 222.376 2.558 20 0 BFADLP CCC1(C)CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000310036675 384802036 /nfs/dbraw/zinc/80/20/36/384802036.db2.gz UMYKMPNCFVZBPC-HSBZDZAISA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000163856306 384870504 /nfs/dbraw/zinc/87/05/04/384870504.db2.gz XGBQRAKUZFXDJP-ZDUSSCGKSA-N 2 2 233.359 2.662 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OC)cc1 ZINC000054764697 384850941 /nfs/dbraw/zinc/85/09/41/384850941.db2.gz MWQPABKCVHVXKV-AWEZNQCLSA-N 2 2 245.326 2.659 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]CC(C(C)C)C(C)C ZINC000310492087 384851847 /nfs/dbraw/zinc/85/18/47/384851847.db2.gz IUQQIXOEFUVISB-CQSZACIVSA-N 2 2 240.435 2.989 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]CC(C(C)C)C(C)C ZINC000310492087 384851853 /nfs/dbraw/zinc/85/18/53/384851853.db2.gz IUQQIXOEFUVISB-CQSZACIVSA-N 2 2 240.435 2.989 20 0 BFADLP c1ccc2cc(C[NH2+][C@H]3CCC[NH2+]C3)ccc2c1 ZINC000258976834 384956608 /nfs/dbraw/zinc/95/66/08/384956608.db2.gz LUMJYFBBPLHBNQ-INIZCTEOSA-N 2 2 240.350 2.681 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccco1 ZINC000367438654 384893899 /nfs/dbraw/zinc/89/38/99/384893899.db2.gz OMQNEZYPRANPOT-LLVKDONJSA-N 2 2 245.326 2.663 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC000161193251 384905864 /nfs/dbraw/zinc/90/58/64/384905864.db2.gz RLHFCYDMBHKFDH-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CC)C(C)C ZINC000161193251 384905871 /nfs/dbraw/zinc/90/58/71/384905871.db2.gz RLHFCYDMBHKFDH-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000251127015 384910384 /nfs/dbraw/zinc/91/03/84/384910384.db2.gz SOPAZODCLDQGOL-VHSXEESVSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)C[C@H](C)[NH3+] ZINC000251127015 384910388 /nfs/dbraw/zinc/91/03/88/384910388.db2.gz SOPAZODCLDQGOL-VHSXEESVSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C(C)(C)C ZINC000367438815 384916985 /nfs/dbraw/zinc/91/69/85/384916985.db2.gz PJHRWMIZKLCLCV-NSHDSACASA-N 2 2 235.375 2.744 20 0 BFADLP CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000187577618 384960152 /nfs/dbraw/zinc/96/01/52/384960152.db2.gz NPRMLVBMSCIOIA-JSGCOSHPSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@H]1[C@@H](C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000187577618 384960163 /nfs/dbraw/zinc/96/01/63/384960163.db2.gz NPRMLVBMSCIOIA-JSGCOSHPSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@H](C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932138 384980160 /nfs/dbraw/zinc/98/01/60/384980160.db2.gz CBYXDROSDZAOGS-ZDUSSCGKSA-N 2 2 247.386 2.686 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]CC2CCCCCC2)C1 ZINC000530773764 385050494 /nfs/dbraw/zinc/05/04/94/385050494.db2.gz DRAZEFQHFROONS-AWEZNQCLSA-N 2 2 238.419 2.888 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]CC2CCCCCC2)C1 ZINC000530773764 385050499 /nfs/dbraw/zinc/05/04/99/385050499.db2.gz DRAZEFQHFROONS-AWEZNQCLSA-N 2 2 238.419 2.888 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]CC2CCCCCC2)C1 ZINC000530773766 385052236 /nfs/dbraw/zinc/05/22/36/385052236.db2.gz DRAZEFQHFROONS-CQSZACIVSA-N 2 2 238.419 2.888 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]CC2CCCCCC2)C1 ZINC000530773766 385052248 /nfs/dbraw/zinc/05/22/48/385052248.db2.gz DRAZEFQHFROONS-CQSZACIVSA-N 2 2 238.419 2.888 20 0 BFADLP c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH+]c1 ZINC000150883169 385069782 /nfs/dbraw/zinc/06/97/82/385069782.db2.gz HXAAYICRVQWSPE-CQSZACIVSA-N 2 2 245.370 2.536 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448078202 385032907 /nfs/dbraw/zinc/03/29/07/385032907.db2.gz QNINFGIEQMZZAQ-ZDUSSCGKSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448078202 385032916 /nfs/dbraw/zinc/03/29/16/385032916.db2.gz QNINFGIEQMZZAQ-ZDUSSCGKSA-N 2 2 236.403 2.641 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C1CCC1)[NH+](C)C ZINC000177844093 385126589 /nfs/dbraw/zinc/12/65/89/385126589.db2.gz AZNCHPDOGATBRA-JSGCOSHPSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH2+]Cc1sccc1Cl)C[NH+](C)C ZINC000291663617 385088869 /nfs/dbraw/zinc/08/88/69/385088869.db2.gz FLEBDYPAYGEQBG-VIFPVBQESA-N 2 2 246.807 2.689 20 0 BFADLP c1cn(-c2ccc(C[NH2+][C@@H]3CC34CC4)cc2)c[nH+]1 ZINC000424188138 385106867 /nfs/dbraw/zinc/10/68/67/385106867.db2.gz WUIGCRXNVNMXRQ-CQSZACIVSA-N 2 2 239.322 2.514 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000130238924 385230763 /nfs/dbraw/zinc/23/07/63/385230763.db2.gz WTPPQJOJWMQMMB-BFHYXJOUSA-N 2 2 248.370 2.865 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000130238924 385230770 /nfs/dbraw/zinc/23/07/70/385230770.db2.gz WTPPQJOJWMQMMB-BFHYXJOUSA-N 2 2 248.370 2.865 20 0 BFADLP c1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000020127014 385309213 /nfs/dbraw/zinc/30/92/13/385309213.db2.gz KNUIISZIBSXXIO-MRXNPFEDSA-N 2 2 244.382 2.749 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1CCC1 ZINC000178681064 385310787 /nfs/dbraw/zinc/31/07/87/385310787.db2.gz PLSSELZQBODFJR-OCCSQVGLSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C(C)C ZINC000130643862 385270675 /nfs/dbraw/zinc/27/06/75/385270675.db2.gz KDLKRTMZOZDQRY-AWEZNQCLSA-N 2 2 245.370 2.901 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166879941 385288736 /nfs/dbraw/zinc/28/87/36/385288736.db2.gz TXLMAQIWXBILRB-NEPJUHHUSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166879941 385288741 /nfs/dbraw/zinc/28/87/41/385288741.db2.gz TXLMAQIWXBILRB-NEPJUHHUSA-N 2 2 238.400 2.801 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154600344 385339415 /nfs/dbraw/zinc/33/94/15/385339415.db2.gz QEERHDVSXBXPHH-JKSUJKDBSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154600344 385339421 /nfs/dbraw/zinc/33/94/21/385339421.db2.gz QEERHDVSXBXPHH-JKSUJKDBSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154600466 385340245 /nfs/dbraw/zinc/34/02/45/385340245.db2.gz QEERHDVSXBXPHH-HZPDHXFCSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154600466 385340250 /nfs/dbraw/zinc/34/02/50/385340250.db2.gz QEERHDVSXBXPHH-HZPDHXFCSA-N 2 2 246.398 2.692 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154637692 385343729 /nfs/dbraw/zinc/34/37/29/385343729.db2.gz RVGZAYSITWBVNR-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154637692 385343734 /nfs/dbraw/zinc/34/37/34/385343734.db2.gz RVGZAYSITWBVNR-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000335359295 385348465 /nfs/dbraw/zinc/34/84/65/385348465.db2.gz YPBIMSAHTZUQST-WPRPVWTQSA-N 2 2 244.791 2.632 20 0 BFADLP Cc1ccc(C2CC([NH2+][C@@H](C)C[NH+](C)C)C2)cc1 ZINC000168699377 385383566 /nfs/dbraw/zinc/38/35/66/385383566.db2.gz LWOGJXAIUVLNIV-JEYLPNPQSA-N 2 2 246.398 2.781 20 0 BFADLP CC(C)[N@H+](CCCn1cc[nH+]c1)CC1CCC1 ZINC000193214506 385387569 /nfs/dbraw/zinc/38/75/69/385387569.db2.gz JTXTYUVEBIYFPV-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)CC1CCC1 ZINC000193214506 385387574 /nfs/dbraw/zinc/38/75/74/385387574.db2.gz JTXTYUVEBIYFPV-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[NH+]1CCCC1 ZINC000187099444 134451950 /nfs/dbraw/zinc/45/19/50/134451950.db2.gz UDVNCQYOXAOZLQ-LSDHHAIUSA-N 2 2 236.403 2.664 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000171940825 385535456 /nfs/dbraw/zinc/53/54/56/385535456.db2.gz VEEQSFRGSHDKQF-AWEZNQCLSA-N 2 2 249.402 2.806 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000171940825 385535458 /nfs/dbraw/zinc/53/54/58/385535458.db2.gz VEEQSFRGSHDKQF-AWEZNQCLSA-N 2 2 249.402 2.806 20 0 BFADLP C[C@@H]([N@H+](C)Cc1cccc2[nH+]ccn21)C1(C)CC1 ZINC000180702226 385540597 /nfs/dbraw/zinc/54/05/97/385540597.db2.gz HWWUJGSULZNINT-GFCCVEGCSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]([N@@H+](C)Cc1cccc2[nH+]ccn21)C1(C)CC1 ZINC000180702226 385540599 /nfs/dbraw/zinc/54/05/99/385540599.db2.gz HWWUJGSULZNINT-GFCCVEGCSA-N 2 2 243.354 2.955 20 0 BFADLP Cc1cc[nH+]c(NCCCNc2cccc[nH+]2)c1 ZINC000180409904 385521668 /nfs/dbraw/zinc/52/16/68/385521668.db2.gz WAFOHWSXHARQNI-UHFFFAOYSA-N 2 2 242.326 2.699 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2CCC[C@H]([NH3+])C2)c1Cl ZINC000643030517 385526047 /nfs/dbraw/zinc/52/60/47/385526047.db2.gz WRKTYSYOKYCVHL-VHSXEESVSA-N 2 2 239.750 2.725 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC1(C)C ZINC000309314829 385527698 /nfs/dbraw/zinc/52/76/98/385527698.db2.gz OZSNBKRFSSFMCT-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000181781613 385602253 /nfs/dbraw/zinc/60/22/53/385602253.db2.gz MKTRXCQMWBAZLX-BPLDGKMQSA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000181781613 385602255 /nfs/dbraw/zinc/60/22/55/385602255.db2.gz MKTRXCQMWBAZLX-BPLDGKMQSA-N 2 2 232.371 2.820 20 0 BFADLP c1csc([C@@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000182110250 385636133 /nfs/dbraw/zinc/63/61/33/385636133.db2.gz HMGPMKIFJLHZQX-LBPRGKRZSA-N 2 2 247.367 2.782 20 0 BFADLP c1csc([C@@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000182110250 385636138 /nfs/dbraw/zinc/63/61/38/385636138.db2.gz HMGPMKIFJLHZQX-LBPRGKRZSA-N 2 2 247.367 2.782 20 0 BFADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cccc(F)c1F ZINC000181966671 385623947 /nfs/dbraw/zinc/62/39/47/385623947.db2.gz YKTPPXWXPPVLFH-JTQLQIEISA-N 2 2 242.313 2.567 20 0 BFADLP CSCCC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000281381076 385664102 /nfs/dbraw/zinc/66/41/02/385664102.db2.gz WEOPHVCQHWRREF-UHFFFAOYSA-N 2 2 249.383 2.519 20 0 BFADLP CSCCC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000281381076 385664107 /nfs/dbraw/zinc/66/41/07/385664107.db2.gz WEOPHVCQHWRREF-UHFFFAOYSA-N 2 2 249.383 2.519 20 0 BFADLP C[C@H](CNc1ccc2ccccc2[nH+]1)C[NH+](C)C ZINC000291784857 385698737 /nfs/dbraw/zinc/69/87/37/385698737.db2.gz IIZVGEJMCSOHDR-GFCCVEGCSA-N 2 2 243.354 2.844 20 0 BFADLP CC[C@@H](C)C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000309579462 385711823 /nfs/dbraw/zinc/71/18/23/385711823.db2.gz PZEBUHXCDYELSF-CYBMUJFWSA-N 2 2 226.408 2.744 20 0 BFADLP CC[C@@H](C)C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000309579462 385711826 /nfs/dbraw/zinc/71/18/26/385711826.db2.gz PZEBUHXCDYELSF-CYBMUJFWSA-N 2 2 226.408 2.744 20 0 BFADLP C([NH2+]C1CCCC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336653693 385716796 /nfs/dbraw/zinc/71/67/96/385716796.db2.gz GHEFCNBPCQMJCR-CQSZACIVSA-N 2 2 222.376 2.536 20 0 BFADLP C([NH2+]C1CCCC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000336653693 385716804 /nfs/dbraw/zinc/71/68/04/385716804.db2.gz GHEFCNBPCQMJCR-CQSZACIVSA-N 2 2 222.376 2.536 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC000336696554 385747586 /nfs/dbraw/zinc/74/75/86/385747586.db2.gz NZRDPGSRDQZBNX-NEPJUHHUSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H]1[C@H]([NH2+]C2CCCCCC2)CCC[N@@H+]1C ZINC000336735905 385722843 /nfs/dbraw/zinc/72/28/43/385722843.db2.gz IIAUTNXCKBWMCT-TZMCWYRMSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1[C@H]([NH2+]C2CCCCCC2)CCC[N@H+]1C ZINC000336735905 385722846 /nfs/dbraw/zinc/72/28/46/385722846.db2.gz IIAUTNXCKBWMCT-TZMCWYRMSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1[C@H]([NH2+]C2CCC3(CC3)CC2)CCC[N@@H+]1C ZINC000488462228 385805140 /nfs/dbraw/zinc/80/51/40/385805140.db2.gz HECLHOXXVXTJOA-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1[C@H]([NH2+]C2CCC3(CC3)CC2)CCC[N@H+]1C ZINC000488462228 385805152 /nfs/dbraw/zinc/80/51/52/385805152.db2.gz HECLHOXXVXTJOA-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1C[C@H]1C ZINC000488464274 385807612 /nfs/dbraw/zinc/80/76/12/385807612.db2.gz RMDCDTJMWNRBTB-IIAWOOMASA-N 2 2 246.398 2.753 20 0 BFADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1C[C@H]1C ZINC000488464274 385807616 /nfs/dbraw/zinc/80/76/16/385807616.db2.gz RMDCDTJMWNRBTB-IIAWOOMASA-N 2 2 246.398 2.753 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1CF ZINC000294209029 385822224 /nfs/dbraw/zinc/82/22/24/385822224.db2.gz YDOPHZWKEXSROZ-AWEZNQCLSA-N 2 2 236.334 2.757 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1CF ZINC000294209029 385822226 /nfs/dbraw/zinc/82/22/26/385822226.db2.gz YDOPHZWKEXSROZ-AWEZNQCLSA-N 2 2 236.334 2.757 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336738146 385835044 /nfs/dbraw/zinc/83/50/44/385835044.db2.gz KBPGYUYMIVHXDK-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336738146 385835048 /nfs/dbraw/zinc/83/50/48/385835048.db2.gz KBPGYUYMIVHXDK-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000336717894 385840571 /nfs/dbraw/zinc/84/05/71/385840571.db2.gz XBXDZVPCMYVXMY-QWRGUYRKSA-N 2 2 226.408 2.597 20 0 BFADLP C[C@H]([NH2+]CC[NH+](C)C)C(C)(C)c1ccccc1 ZINC000271807474 385850733 /nfs/dbraw/zinc/85/07/33/385850733.db2.gz NUTRSVGZUBUWES-ZDUSSCGKSA-N 2 2 234.387 2.504 20 0 BFADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217641969 385888120 /nfs/dbraw/zinc/88/81/20/385888120.db2.gz SUFNDNVRQKQZJV-CABCVRRESA-N 2 2 248.345 2.542 20 0 BFADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217641969 385888123 /nfs/dbraw/zinc/88/81/23/385888123.db2.gz SUFNDNVRQKQZJV-CABCVRRESA-N 2 2 248.345 2.542 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1C ZINC000414964133 385901417 /nfs/dbraw/zinc/90/14/17/385901417.db2.gz YFNWVWWGLWSUQT-HOCLYGCPSA-N 2 2 246.398 2.842 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1Cl ZINC000342179033 385939525 /nfs/dbraw/zinc/93/95/25/385939525.db2.gz XVFSCAXMGKNQDD-JTQLQIEISA-N 2 2 238.762 2.872 20 0 BFADLP CC(C)C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000335051073 385948850 /nfs/dbraw/zinc/94/88/50/385948850.db2.gz UGSOBDRVSCBJKJ-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000335051073 385948852 /nfs/dbraw/zinc/94/88/52/385948852.db2.gz UGSOBDRVSCBJKJ-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP C[C@H](Nc1ccc2c(c1)CC[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000335052667 385950952 /nfs/dbraw/zinc/95/09/52/385950952.db2.gz FVFRJUUJTKBJIM-SMDDNHRTSA-N 2 2 245.370 2.597 20 0 BFADLP CC/C=C\CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342245451 385953181 /nfs/dbraw/zinc/95/31/81/385953181.db2.gz JGBOODAJIAWAFX-ABCZVMIZSA-N 2 2 246.354 2.891 20 0 BFADLP CC/C=C\CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342245451 385953186 /nfs/dbraw/zinc/95/31/86/385953186.db2.gz JGBOODAJIAWAFX-ABCZVMIZSA-N 2 2 246.354 2.891 20 0 BFADLP [NH3+]C[C@@H]1CCCC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335055906 385955883 /nfs/dbraw/zinc/95/58/83/385955883.db2.gz RTXKQQGLHNCGEK-SWLSCSKDSA-N 2 2 245.370 2.584 20 0 BFADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000335055906 385955889 /nfs/dbraw/zinc/95/58/89/385955889.db2.gz RTXKQQGLHNCGEK-SWLSCSKDSA-N 2 2 245.370 2.584 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+][C@H](C)C[NH+](C)C)C1 ZINC000336746855 385962026 /nfs/dbraw/zinc/96/20/26/385962026.db2.gz WXRQXTYKGDRCKW-MCIONIFRSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)[C@H]1C[C@@H]1C ZINC000414125787 385974164 /nfs/dbraw/zinc/97/41/64/385974164.db2.gz QLRALKBIEXQEQG-AJNGGQMLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)[C@H]1C[C@@H]1C ZINC000414125787 385974169 /nfs/dbraw/zinc/97/41/69/385974169.db2.gz QLRALKBIEXQEQG-AJNGGQMLSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414113843 386009547 /nfs/dbraw/zinc/00/95/47/386009547.db2.gz YZSNRLUMCQKUHI-SUHUHFCYSA-N 2 2 218.344 2.567 20 0 BFADLP CC(C)n1cc[nH+]c1Cn1c[nH+]c2c1CCCC2 ZINC000295377730 386024547 /nfs/dbraw/zinc/02/45/47/386024547.db2.gz SZJKWSUGNZCPKS-UHFFFAOYSA-N 2 2 244.342 2.588 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)n1C ZINC000518797327 386031401 /nfs/dbraw/zinc/03/14/01/386031401.db2.gz RMBZAPSYSQDCBD-DGCLKSJQSA-N 2 2 235.375 2.787 20 0 BFADLP Cc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1C ZINC000525800755 386031661 /nfs/dbraw/zinc/03/16/61/386031661.db2.gz GFQXCNNACVFXRT-CYBMUJFWSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1C ZINC000525800755 386031663 /nfs/dbraw/zinc/03/16/63/386031663.db2.gz GFQXCNNACVFXRT-CYBMUJFWSA-N 2 2 246.398 2.735 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+]Cc1c(Cl)cccc1Cl ZINC000414980582 386055039 /nfs/dbraw/zinc/05/50/39/386055039.db2.gz PTDXLSRBHJCJGZ-MRVPVSSYSA-N 2 2 247.169 2.820 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000287251439 386107126 /nfs/dbraw/zinc/10/71/26/386107126.db2.gz ZLGKCBNJLOACIS-CWRNSKLLSA-N 2 2 246.398 2.862 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000286973772 386085939 /nfs/dbraw/zinc/08/59/39/386085939.db2.gz IQFOTWRVHNIUJM-CQSZACIVSA-N 2 2 232.371 2.560 20 0 BFADLP C[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000054416878 386125596 /nfs/dbraw/zinc/12/55/96/386125596.db2.gz SBEVWVBWQKDURA-UHFFFAOYSA-N 2 2 240.350 2.744 20 0 BFADLP C[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2)cc1 ZINC000054416878 386125601 /nfs/dbraw/zinc/12/56/01/386125601.db2.gz SBEVWVBWQKDURA-UHFFFAOYSA-N 2 2 240.350 2.744 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccccc1)[NH+](C)C ZINC000338776129 386128792 /nfs/dbraw/zinc/12/87/92/386128792.db2.gz ACNMZQRKXBUCPJ-WMHQRMGPSA-N 2 2 246.398 2.718 20 0 BFADLP CC[C@H](C)[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000346281322 386189093 /nfs/dbraw/zinc/18/90/93/386189093.db2.gz TTXJXCCQVYGUCA-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@H](C)[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000346281322 386189099 /nfs/dbraw/zinc/18/90/99/386189099.db2.gz TTXJXCCQVYGUCA-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000414704469 386214077 /nfs/dbraw/zinc/21/40/77/386214077.db2.gz MIHDWEVZSMKFEG-WCQYABFASA-N 2 2 224.392 2.623 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000414704469 386214081 /nfs/dbraw/zinc/21/40/81/386214081.db2.gz MIHDWEVZSMKFEG-WCQYABFASA-N 2 2 224.392 2.623 20 0 BFADLP Cc1ccc(C)c(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000347032567 386223533 /nfs/dbraw/zinc/22/35/33/386223533.db2.gz BNEIBCHXJOKQAP-MRXNPFEDSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C)c(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000347032567 386223535 /nfs/dbraw/zinc/22/35/35/386223535.db2.gz BNEIBCHXJOKQAP-MRXNPFEDSA-N 2 2 244.382 2.630 20 0 BFADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000131859668 386224146 /nfs/dbraw/zinc/22/41/46/386224146.db2.gz ZYYSJTDUWAVSJM-KBPBESRZSA-N 2 2 228.295 2.514 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000296750094 386196822 /nfs/dbraw/zinc/19/68/22/386196822.db2.gz JRJKKYPIFWTMQG-QWRGUYRKSA-N 2 2 228.299 2.704 20 0 BFADLP CCn1c[nH+]cc1CNc1cc(C2CC2)cc[nH+]1 ZINC000416425956 386301319 /nfs/dbraw/zinc/30/13/19/386301319.db2.gz GXEGJBSMXCKCAJ-UHFFFAOYSA-N 2 2 242.326 2.788 20 0 BFADLP Clc1ccsc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335266592 386305858 /nfs/dbraw/zinc/30/58/58/386305858.db2.gz ATNDEHKSZUORAL-VIFPVBQESA-N 2 2 244.791 2.633 20 0 BFADLP CCc1ccc(C[N@H+](CC)CCC[NH+](C)C)o1 ZINC000289473770 386309672 /nfs/dbraw/zinc/30/96/72/386309672.db2.gz PTIXUGLPAASSIG-UHFFFAOYSA-N 2 2 238.375 2.616 20 0 BFADLP CCc1ccc(C[N@@H+](CC)CCC[NH+](C)C)o1 ZINC000289473770 386309677 /nfs/dbraw/zinc/30/96/77/386309677.db2.gz PTIXUGLPAASSIG-UHFFFAOYSA-N 2 2 238.375 2.616 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000181071768 386318381 /nfs/dbraw/zinc/31/83/81/386318381.db2.gz XUGFDIVDNGSMOG-KBPBESRZSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000181071768 386318388 /nfs/dbraw/zinc/31/83/88/386318388.db2.gz XUGFDIVDNGSMOG-KBPBESRZSA-N 2 2 233.359 2.538 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000347173599 386268956 /nfs/dbraw/zinc/26/89/56/386268956.db2.gz PKIQNOFWUZOUCC-ABCZVMIZSA-N 2 2 248.345 2.652 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000347173599 386268960 /nfs/dbraw/zinc/26/89/60/386268960.db2.gz PKIQNOFWUZOUCC-ABCZVMIZSA-N 2 2 248.345 2.652 20 0 BFADLP CC1(C)CCC(C[N@@H+]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000647933020 386277733 /nfs/dbraw/zinc/27/77/33/386277733.db2.gz YQOZGKJEDFWOTC-UHFFFAOYSA-N 2 2 247.386 2.984 20 0 BFADLP CC1(C)CCC(C[N@H+]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000647933020 386277738 /nfs/dbraw/zinc/27/77/38/386277738.db2.gz YQOZGKJEDFWOTC-UHFFFAOYSA-N 2 2 247.386 2.984 20 0 BFADLP CC[N@H+](C)CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000298527973 386358987 /nfs/dbraw/zinc/35/89/87/386358987.db2.gz RXHAFJDPKUVDNT-UHFFFAOYSA-N 2 2 246.398 2.648 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000298527973 386358992 /nfs/dbraw/zinc/35/89/92/386358992.db2.gz RXHAFJDPKUVDNT-UHFFFAOYSA-N 2 2 246.398 2.648 20 0 BFADLP Cc1ccoc1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000336696195 386374737 /nfs/dbraw/zinc/37/47/37/386374737.db2.gz IROQKAYWLALECW-ZDUSSCGKSA-N 2 2 236.359 2.504 20 0 BFADLP Cc1ccoc1C[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000336696195 386374741 /nfs/dbraw/zinc/37/47/41/386374741.db2.gz IROQKAYWLALECW-ZDUSSCGKSA-N 2 2 236.359 2.504 20 0 BFADLP Cc1ccoc1C[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000336696195 386374746 /nfs/dbraw/zinc/37/47/46/386374746.db2.gz IROQKAYWLALECW-ZDUSSCGKSA-N 2 2 236.359 2.504 20 0 BFADLP Cc1ccoc1C[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000336696195 386374753 /nfs/dbraw/zinc/37/47/53/386374753.db2.gz IROQKAYWLALECW-ZDUSSCGKSA-N 2 2 236.359 2.504 20 0 BFADLP CCc1ccc([C@H](C[NH2+]C(C)C)[NH+](C)C)cc1 ZINC000236997294 386335792 /nfs/dbraw/zinc/33/57/92/386335792.db2.gz LZWNTPJHKGGVLJ-HNNXBMFYSA-N 2 2 234.387 2.850 20 0 BFADLP C[C@@H](F)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000339491557 386445787 /nfs/dbraw/zinc/44/57/87/386445787.db2.gz YRPNNXIGSQBCAJ-GFCCVEGCSA-N 2 2 247.317 2.710 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000442664823 386412845 /nfs/dbraw/zinc/41/28/45/386412845.db2.gz KTTQJWLDVLVTDV-MJVIPROJSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@H]1c1cccc(F)c1 ZINC000442664823 386412851 /nfs/dbraw/zinc/41/28/51/386412851.db2.gz KTTQJWLDVLVTDV-MJVIPROJSA-N 2 2 236.334 2.556 20 0 BFADLP CCCC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000266320613 386424962 /nfs/dbraw/zinc/42/49/62/386424962.db2.gz FNJWDNVAAIVTAJ-UHFFFAOYSA-N 2 2 233.359 2.758 20 0 BFADLP CC(C)=CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266774612 386466859 /nfs/dbraw/zinc/46/68/59/386466859.db2.gz SYNCMSQXMATGMM-UHFFFAOYSA-N 2 2 219.332 2.555 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC000417353531 386490651 /nfs/dbraw/zinc/49/06/51/386490651.db2.gz JFWWRJMJOUTYAH-KBPBESRZSA-N 2 2 236.403 2.639 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417354548 386494194 /nfs/dbraw/zinc/49/41/94/386494194.db2.gz MENFKYFEQGBFLD-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000353529979 386503090 /nfs/dbraw/zinc/50/30/90/386503090.db2.gz LAUGBXVXSIBBMT-IHRRRGAJSA-N 2 2 247.386 2.523 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000353529979 386503098 /nfs/dbraw/zinc/50/30/98/386503098.db2.gz LAUGBXVXSIBBMT-IHRRRGAJSA-N 2 2 247.386 2.523 20 0 BFADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1sccc1Cl ZINC000415049885 386506414 /nfs/dbraw/zinc/50/64/14/386506414.db2.gz BTSBLIATPUBQBS-JTQLQIEISA-N 2 2 246.807 2.865 20 0 BFADLP CC[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1F ZINC000163454304 386522464 /nfs/dbraw/zinc/52/24/64/386522464.db2.gz ZCUJZIBKCUPFFA-CQSZACIVSA-N 2 2 238.350 2.818 20 0 BFADLP CCSCC[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000336780130 386523811 /nfs/dbraw/zinc/52/38/11/386523811.db2.gz QNWJJYFMKKRCTJ-CHWSQXEVSA-N 2 2 244.448 2.592 20 0 BFADLP CCCc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000415037907 386524517 /nfs/dbraw/zinc/52/45/17/386524517.db2.gz LMOQWCXEFGUKHP-OAHLLOKOSA-N 2 2 246.398 2.869 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)c(C)c1 ZINC000415063583 386543987 /nfs/dbraw/zinc/54/39/87/386543987.db2.gz AJNKXXSKYGZZND-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@H](C)CC ZINC000415067029 386549119 /nfs/dbraw/zinc/54/91/19/386549119.db2.gz OTONGPRTDBDJJO-IUODEOHRSA-N 2 2 234.387 2.885 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000123572585 386558740 /nfs/dbraw/zinc/55/87/40/386558740.db2.gz SDSDUOVIBDVNNU-GFCCVEGCSA-N 2 2 244.338 2.664 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000123572585 386558745 /nfs/dbraw/zinc/55/87/45/386558745.db2.gz SDSDUOVIBDVNNU-GFCCVEGCSA-N 2 2 244.338 2.664 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000123601123 386559596 /nfs/dbraw/zinc/55/95/96/386559596.db2.gz CASBHDPPEITTDO-LBPRGKRZSA-N 2 2 244.338 2.664 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000123601123 386559601 /nfs/dbraw/zinc/55/96/01/386559601.db2.gz CASBHDPPEITTDO-LBPRGKRZSA-N 2 2 244.338 2.664 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1C ZINC000415073006 386560658 /nfs/dbraw/zinc/56/06/58/386560658.db2.gz XUQHKUGXROYAMH-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062018892 386560946 /nfs/dbraw/zinc/56/09/46/386560946.db2.gz SOPAZODCLDQGOL-UWVGGRQHSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062018892 386560950 /nfs/dbraw/zinc/56/09/50/386560950.db2.gz SOPAZODCLDQGOL-UWVGGRQHSA-N 2 2 226.751 2.680 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000414802397 386597890 /nfs/dbraw/zinc/59/78/90/386597890.db2.gz VRGZCWZWCPPBAI-LBPRGKRZSA-N 2 2 244.741 2.552 20 0 BFADLP Fc1ccc(/C=C/C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415073890 386571946 /nfs/dbraw/zinc/57/19/46/386571946.db2.gz ZCMZFRRRWPIMSE-NHZBNJEXSA-N 2 2 248.345 2.571 20 0 BFADLP CC(C)([NH3+])C[NH2+]Cc1c(Cl)cccc1Cl ZINC000414809232 386628492 /nfs/dbraw/zinc/62/84/92/386628492.db2.gz VFEQCALVNIMTLV-UHFFFAOYSA-N 2 2 247.169 2.820 20 0 BFADLP Cc1cc[nH+]c(NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000268299100 386638350 /nfs/dbraw/zinc/63/83/50/386638350.db2.gz GKRTUJSSUQXHMT-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1cc[nH+]c(NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000268299100 386638357 /nfs/dbraw/zinc/63/83/57/386638357.db2.gz GKRTUJSSUQXHMT-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000520197537 386599773 /nfs/dbraw/zinc/59/97/73/386599773.db2.gz ZNEVRXGDRLWZQA-NSHDSACASA-N 2 2 238.400 2.542 20 0 BFADLP C[N@H+](CC(C)(C)[NH3+])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000415107655 386617109 /nfs/dbraw/zinc/61/71/09/386617109.db2.gz JLJFCPIDBRGOIF-LSDHHAIUSA-N 2 2 246.398 2.992 20 0 BFADLP C[N@@H+](CC(C)(C)[NH3+])[C@@H]1CCC[C@H]1c1ccccc1 ZINC000415107655 386617116 /nfs/dbraw/zinc/61/71/16/386617116.db2.gz JLJFCPIDBRGOIF-LSDHHAIUSA-N 2 2 246.398 2.992 20 0 BFADLP CC[C@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000292402418 386666072 /nfs/dbraw/zinc/66/60/72/386666072.db2.gz LJQKOYKGSVGSNT-AWEZNQCLSA-N 2 2 241.338 2.857 20 0 BFADLP CC[C@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000292402418 386666077 /nfs/dbraw/zinc/66/60/77/386666077.db2.gz LJQKOYKGSVGSNT-AWEZNQCLSA-N 2 2 241.338 2.857 20 0 BFADLP Cc1cc[nH+]c(NCC[NH+]2CCCCCC2)c1 ZINC000043561595 386710511 /nfs/dbraw/zinc/71/05/11/386710511.db2.gz MFACNYOAGMZPFL-UHFFFAOYSA-N 2 2 233.359 2.678 20 0 BFADLP C[NH+](C)CC1([NH2+]CC2CCCCC2)CCC1 ZINC000336759876 386690935 /nfs/dbraw/zinc/69/09/35/386690935.db2.gz JHUCYDKKYDSGRS-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000268741624 386691646 /nfs/dbraw/zinc/69/16/46/386691646.db2.gz YMAOJPMDKDAMEQ-HEHGZKQESA-N 2 2 244.382 2.820 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000268741624 386691653 /nfs/dbraw/zinc/69/16/53/386691653.db2.gz YMAOJPMDKDAMEQ-HEHGZKQESA-N 2 2 244.382 2.820 20 0 BFADLP C[C@H](C[NH2+]Cc1ccsc1Cl)C[NH+](C)C ZINC000336760131 386702622 /nfs/dbraw/zinc/70/26/22/386702622.db2.gz LZBZLGPVIPWDSH-SECBINFHSA-N 2 2 246.807 2.689 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000044557457 386722182 /nfs/dbraw/zinc/72/21/82/386722182.db2.gz JYPAZHKMWSSXIJ-PPYMECGQSA-N 2 2 230.355 2.513 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1 ZINC000044557457 386722189 /nfs/dbraw/zinc/72/21/89/386722189.db2.gz JYPAZHKMWSSXIJ-PPYMECGQSA-N 2 2 230.355 2.513 20 0 BFADLP c1ccc2[nH+]c(NC[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000044502877 386724726 /nfs/dbraw/zinc/72/47/26/386724726.db2.gz WBCLNRLFGDHUCI-GFCCVEGCSA-N 2 2 241.338 2.646 20 0 BFADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414930197 386749732 /nfs/dbraw/zinc/74/97/32/386749732.db2.gz OUMQALMFJBQWKI-BLLLJJGKSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000292880194 386741317 /nfs/dbraw/zinc/74/13/17/386741317.db2.gz CAZXDQRICYPTFZ-OLZOCXBDSA-N 2 2 241.338 2.713 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000292880194 386741322 /nfs/dbraw/zinc/74/13/22/386741322.db2.gz CAZXDQRICYPTFZ-OLZOCXBDSA-N 2 2 241.338 2.713 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000122323424 386742112 /nfs/dbraw/zinc/74/21/12/386742112.db2.gz UCOXNXXTNQBDKA-UKRRQHHQSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000122323424 386742117 /nfs/dbraw/zinc/74/21/17/386742117.db2.gz UCOXNXXTNQBDKA-UKRRQHHQSA-N 2 2 244.382 2.710 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417387849 386838591 /nfs/dbraw/zinc/83/85/91/386838591.db2.gz VDCFQZPXASXAGC-ZDUSSCGKSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334844602 386892740 /nfs/dbraw/zinc/89/27/40/386892740.db2.gz JNCXCOKLGIGDAV-GXTWGEPZSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334844602 386892743 /nfs/dbraw/zinc/89/27/43/386892743.db2.gz JNCXCOKLGIGDAV-GXTWGEPZSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1cc[nH+]c(NCCc2ccc(C)[nH+]c2)c1 ZINC000301668136 386865653 /nfs/dbraw/zinc/86/56/53/386865653.db2.gz XSHGNMXKJZQRJA-UHFFFAOYSA-N 2 2 227.311 2.748 20 0 BFADLP CC[NH+](CC)[C@H](C)CNc1[nH]c2ccccc2[nH+]1 ZINC000301856125 386883798 /nfs/dbraw/zinc/88/37/98/386883798.db2.gz DAHQQHLAPHHUFN-LLVKDONJSA-N 2 2 246.358 2.705 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cc2ccccc2s1 ZINC000334841383 386886930 /nfs/dbraw/zinc/88/69/30/386886930.db2.gz HLHXKWJAACGFSG-GWCFXTLKSA-N 2 2 246.379 2.823 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2s1 ZINC000334841383 386886934 /nfs/dbraw/zinc/88/69/34/386886934.db2.gz HLHXKWJAACGFSG-GWCFXTLKSA-N 2 2 246.379 2.823 20 0 BFADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000334866052 386921667 /nfs/dbraw/zinc/92/16/67/386921667.db2.gz VVAFSBIEVNOKOM-SMDDNHRTSA-N 2 2 244.338 2.520 20 0 BFADLP CC[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000341896283 386995928 /nfs/dbraw/zinc/99/59/28/386995928.db2.gz JIZXEMMVDGXQBJ-CYBMUJFWSA-N 2 2 243.354 2.820 20 0 BFADLP CCCc1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000359082539 387054119 /nfs/dbraw/zinc/05/41/19/387054119.db2.gz OGHVSLVPDHPESC-UHFFFAOYSA-N 2 2 246.398 2.825 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000019905799 387062843 /nfs/dbraw/zinc/06/28/43/387062843.db2.gz SQMINAALMMEOAR-GFCCVEGCSA-N 2 2 238.375 2.826 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(O)c1 ZINC000423298914 387130297 /nfs/dbraw/zinc/13/02/97/387130297.db2.gz PFIXRDKQXAAEMA-DGCLKSJQSA-N 2 2 236.359 2.560 20 0 BFADLP CC[C@@H](C[NH2+][C@H](C)C[NH+](C)C)c1ccccc1 ZINC000228128767 387079739 /nfs/dbraw/zinc/07/97/39/387079739.db2.gz FDTIWDXJCHWHIS-KGLIPLIRSA-N 2 2 234.387 2.720 20 0 BFADLP C[N@H+](Cc1cccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071309442 387103095 /nfs/dbraw/zinc/10/30/95/387103095.db2.gz YPHPOSQDCYYCFB-OAHLLOKOSA-N 2 2 240.350 2.634 20 0 BFADLP C[N@@H+](Cc1cccc2ccccc21)[C@@H]1CC[NH2+]C1 ZINC000071309442 387103099 /nfs/dbraw/zinc/10/30/99/387103099.db2.gz YPHPOSQDCYYCFB-OAHLLOKOSA-N 2 2 240.350 2.634 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc2ccccc2s1 ZINC000335028388 387122525 /nfs/dbraw/zinc/12/25/25/387122525.db2.gz JFPYNMCOEDHPQT-JQWIXIFHSA-N 2 2 246.379 2.914 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000423307823 387143272 /nfs/dbraw/zinc/14/32/72/387143272.db2.gz HWBHKBBNOBNBQE-CZUORRHYSA-N 2 2 246.398 2.818 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000423311740 387148989 /nfs/dbraw/zinc/14/89/89/387148989.db2.gz QGWHTZBAMZWISM-LLVKDONJSA-N 2 2 240.778 2.990 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(C)c1C ZINC000423313844 387152497 /nfs/dbraw/zinc/15/24/97/387152497.db2.gz VCMOEFOKSIQYFK-CQSZACIVSA-N 2 2 234.387 2.954 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)[C@H]1C[C@H]1C ZINC000322139204 387153252 /nfs/dbraw/zinc/15/32/52/387153252.db2.gz GKOGAPAFSLDTIY-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1CCCc2ccccc21 ZINC000423317044 387157396 /nfs/dbraw/zinc/15/73/96/387157396.db2.gz YMXYOSVVEKVRRJ-OAHLLOKOSA-N 2 2 232.371 2.653 20 0 BFADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423323027 387164396 /nfs/dbraw/zinc/16/43/96/387164396.db2.gz JEWAFEZWSHBLDX-MNOVXSKESA-N 2 2 246.354 2.993 20 0 BFADLP CCSc1ccccc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423328956 387173550 /nfs/dbraw/zinc/17/35/50/387173550.db2.gz OHMDVHDSVJKXJG-GHMZBOCLSA-N 2 2 238.400 2.796 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1F ZINC000423336678 387183812 /nfs/dbraw/zinc/18/38/12/387183812.db2.gz XYJJGCMXPBBOTI-KGLIPLIRSA-N 2 2 236.334 2.604 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1csc(C)c1 ZINC000423305074 387139881 /nfs/dbraw/zinc/13/98/81/387139881.db2.gz AWFIOUHGGPQECA-LLVKDONJSA-N 2 2 226.389 2.707 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000423305401 387140335 /nfs/dbraw/zinc/14/03/35/387140335.db2.gz BPMAMJYSPJUCDV-NSHDSACASA-N 2 2 224.348 2.547 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423355473 387205845 /nfs/dbraw/zinc/20/58/45/387205845.db2.gz FPGIGOOWEVBMPW-IJEWVQPXSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423355474 387206187 /nfs/dbraw/zinc/20/61/87/387206187.db2.gz FPGIGOOWEVBMPW-OFQRWUPVSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000423359507 387209912 /nfs/dbraw/zinc/20/99/12/387209912.db2.gz KSIRHTRTMOOOCU-DAXOMENPSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423359834 387210609 /nfs/dbraw/zinc/21/06/09/387210609.db2.gz PQVKCHGZPVUTDK-WOSRLPQWSA-N 2 2 244.382 2.967 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)s1 ZINC000423358674 387211073 /nfs/dbraw/zinc/21/10/73/387211073.db2.gz JRKWHLFWZIIEMJ-ADEWGFFLSA-N 2 2 238.400 2.705 20 0 BFADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423358164 387211095 /nfs/dbraw/zinc/21/10/95/387211095.db2.gz BGVNTVXYDHVPOV-ONGXEEELSA-N 2 2 232.327 2.739 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2C)c2ccccc21 ZINC000423366243 387218441 /nfs/dbraw/zinc/21/84/41/387218441.db2.gz QAVAPBXAFIESAO-VZAMPYOESA-N 2 2 244.382 2.823 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000423367364 387218828 /nfs/dbraw/zinc/21/88/28/387218828.db2.gz AGSIISGVWZTRKZ-GHMZBOCLSA-N 2 2 240.778 2.989 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2C)c2ccccc21 ZINC000423366240 387219441 /nfs/dbraw/zinc/21/94/41/387219441.db2.gz QAVAPBXAFIESAO-MPTQWLOMSA-N 2 2 244.382 2.823 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1cccs1 ZINC000423369901 387224518 /nfs/dbraw/zinc/22/45/18/387224518.db2.gz CNUGACNAJBRWTM-GHMZBOCLSA-N 2 2 226.389 2.787 20 0 BFADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088692 387229344 /nfs/dbraw/zinc/22/93/44/387229344.db2.gz INOUCVOKNAMNPQ-KBUPBQIOSA-N 2 2 240.435 2.987 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000423373545 387230518 /nfs/dbraw/zinc/23/05/18/387230518.db2.gz HHJHYKBAKPECAL-RISCZKNCSA-N 2 2 238.350 2.864 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423398444 387232570 /nfs/dbraw/zinc/23/25/70/387232570.db2.gz VKSHMHONEBBHBN-TZMCWYRMSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000423403676 387241557 /nfs/dbraw/zinc/24/15/57/387241557.db2.gz ZHJNVFDLDAPDLL-DGCLKSJQSA-N 2 2 236.359 2.708 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000359949768 387196813 /nfs/dbraw/zinc/19/68/13/387196813.db2.gz LXQBERTVIKQGKG-NFAWXSAZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000359949768 387196816 /nfs/dbraw/zinc/19/68/16/387196816.db2.gz LXQBERTVIKQGKG-NFAWXSAZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423465148 387312841 /nfs/dbraw/zinc/31/28/41/387312841.db2.gz MNJIHEBATYSUKA-CMPLNLGQSA-N 2 2 236.359 2.620 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423375937 387256452 /nfs/dbraw/zinc/25/64/52/387256452.db2.gz YCIJCDQWGIIVNL-YDHLFZDLSA-N 2 2 232.371 2.644 20 0 BFADLP C[C@@H](C[NH3+])[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423376273 387257253 /nfs/dbraw/zinc/25/72/53/387257253.db2.gz UQPYKFORBBAHOI-NSHDSACASA-N 2 2 238.334 2.693 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000423379913 387262245 /nfs/dbraw/zinc/26/22/45/387262245.db2.gz MHRWEYCMNMNDTO-UKRRQHHQSA-N 2 2 249.402 2.756 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000423382832 387264310 /nfs/dbraw/zinc/26/43/10/387264310.db2.gz ORKDGQJNNRQDAS-CHWSQXEVSA-N 2 2 234.387 2.898 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@H](F)C3)n2c1 ZINC000336493451 387317603 /nfs/dbraw/zinc/31/76/03/387317603.db2.gz YEUSZGHWPKNPQZ-RYUDHWBXSA-N 2 2 247.317 2.623 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccc(F)cc1F ZINC000423435964 387286373 /nfs/dbraw/zinc/28/63/73/387286373.db2.gz FCDGQPAVIHTQQW-ZDMBXUJBSA-N 2 2 242.313 2.741 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccc(F)cc1F ZINC000423435962 387286603 /nfs/dbraw/zinc/28/66/03/387286603.db2.gz FCDGQPAVIHTQQW-RVBZMBCESA-N 2 2 242.313 2.741 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1(C)CC1 ZINC000423442583 387292148 /nfs/dbraw/zinc/29/21/48/387292148.db2.gz WUNLMTGZAOEIAJ-WFASDCNBSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423450724 387300574 /nfs/dbraw/zinc/30/05/74/387300574.db2.gz UCKLVFGHKDZYCP-SRVKXCTJSA-N 2 2 243.354 2.621 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000643502082 387355934 /nfs/dbraw/zinc/35/59/34/387355934.db2.gz XCRZCFMDYITQDO-LSDHHAIUSA-N 2 2 247.386 2.510 20 0 BFADLP CCC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000643453351 387368893 /nfs/dbraw/zinc/36/88/93/387368893.db2.gz BMPAQCDAZFXNLZ-UMVBOHGHSA-N 2 2 247.386 2.653 20 0 BFADLP CCC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000643453349 387369229 /nfs/dbraw/zinc/36/92/29/387369229.db2.gz BMPAQCDAZFXNLZ-KCQAQPDRSA-N 2 2 247.386 2.653 20 0 BFADLP CCC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000643453346 387369382 /nfs/dbraw/zinc/36/93/82/387369382.db2.gz BMPAQCDAZFXNLZ-GUTXKFCHSA-N 2 2 247.386 2.653 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)o1 ZINC000423548524 387370316 /nfs/dbraw/zinc/37/03/16/387370316.db2.gz GQXWKGDYCSIDAB-NEPJUHHUSA-N 2 2 236.359 2.635 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000423565616 387376804 /nfs/dbraw/zinc/37/68/04/387376804.db2.gz SPQABOVVAPYEGA-HOCLYGCPSA-N 2 2 244.382 2.714 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423472366 387319739 /nfs/dbraw/zinc/31/97/39/387319739.db2.gz QEBWCLXWBSTLAA-AAEUAGOBSA-N 2 2 243.354 2.623 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000336497350 387323496 /nfs/dbraw/zinc/32/34/96/387323496.db2.gz YWZFLPPWWHIELS-MNOVXSKESA-N 2 2 247.367 2.610 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000423486555 387330701 /nfs/dbraw/zinc/33/07/01/387330701.db2.gz ZOEBDGZIIFWZRL-GXTWGEPZSA-N 2 2 236.359 2.756 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501157 387349582 /nfs/dbraw/zinc/34/95/82/387349582.db2.gz YJNSSPRSLKHMID-CJNGLKHVSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000643468951 387425159 /nfs/dbraw/zinc/42/51/59/387425159.db2.gz PUKYBPVTPJONCA-WQVCFCJDSA-N 2 2 244.382 2.712 20 0 BFADLP CC(C)(C)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000084566465 387456336 /nfs/dbraw/zinc/45/63/36/387456336.db2.gz WFZMGCBXIYYJFD-OAHLLOKOSA-N 2 2 246.398 2.826 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)c(C)c1 ZINC000643506414 387459072 /nfs/dbraw/zinc/45/90/72/387459072.db2.gz WBYYMMDANOOOOU-CYBMUJFWSA-N 2 2 232.371 2.706 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC1(C)C)CCC2 ZINC000336575601 387399561 /nfs/dbraw/zinc/39/95/61/387399561.db2.gz KFCUAVSUFGYHOK-QWHCGFSZSA-N 2 2 247.386 2.847 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H]1CCC1(C)C)CCC2 ZINC000336575599 387400016 /nfs/dbraw/zinc/40/00/16/387400016.db2.gz KFCUAVSUFGYHOK-CHWSQXEVSA-N 2 2 247.386 2.847 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506894 387460725 /nfs/dbraw/zinc/46/07/25/387460725.db2.gz LRDSBSRBWZRCHQ-WFASDCNBSA-N 2 2 244.382 2.885 20 0 BFADLP CC1(C)CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000375270580 387522113 /nfs/dbraw/zinc/52/21/13/387522113.db2.gz VWQQPUFWKFFHOZ-LBPRGKRZSA-N 2 2 247.386 2.888 20 0 BFADLP CC(C)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794604 387537604 /nfs/dbraw/zinc/53/76/04/387537604.db2.gz NQPYQRPGSHOLAS-UHFFFAOYSA-N 2 2 221.348 2.566 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643505996 387463201 /nfs/dbraw/zinc/46/32/01/387463201.db2.gz HGKCDHFTDARTMZ-LRDDRELGSA-N 2 2 244.382 2.967 20 0 BFADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000643505866 387463790 /nfs/dbraw/zinc/46/37/90/387463790.db2.gz BWUIWGGLGPOBGB-SNVBAGLBSA-N 2 2 238.762 2.743 20 0 BFADLP c1ccc([C@H](CC2CC2)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507161 387475128 /nfs/dbraw/zinc/47/51/28/387475128.db2.gz UUSJSSHVIAMBGK-INIZCTEOSA-N 2 2 244.382 2.869 20 0 BFADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(F)c1 ZINC000643507620 387476686 /nfs/dbraw/zinc/47/66/86/387476686.db2.gz KVVIMNAPPWWPIN-AWEZNQCLSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643507605 387477125 /nfs/dbraw/zinc/47/71/25/387477125.db2.gz KCVRNRSSOWMJAO-XHDPSFHLSA-N 2 2 230.355 2.577 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CC[NH2+]C2CC2)c1C ZINC000643507337 387477524 /nfs/dbraw/zinc/47/75/24/387477524.db2.gz ZUBZFPIFCQDZGF-ZDUSSCGKSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@@H]1[C@H]([NH2+]CC[NH2+]C2CC2)C[C@H]1c1ccccc1 ZINC000643507886 387478735 /nfs/dbraw/zinc/47/87/35/387478735.db2.gz VANQSTODJCJEGJ-APHBMKBZSA-N 2 2 244.382 2.520 20 0 BFADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(C)c1 ZINC000643507432 387484763 /nfs/dbraw/zinc/48/47/63/387484763.db2.gz CZAOWCWNKGYMQR-OAHLLOKOSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCC1 ZINC000355131546 387485895 /nfs/dbraw/zinc/48/58/95/387485895.db2.gz ZKEAWNHVVVVSMS-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCC1 ZINC000355131546 387485900 /nfs/dbraw/zinc/48/59/00/387485900.db2.gz ZKEAWNHVVVVSMS-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccs1 ZINC000041050947 387588535 /nfs/dbraw/zinc/58/85/35/387588535.db2.gz AEMKFSXFIFUNAN-LLVKDONJSA-N 2 2 235.356 2.686 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)s1 ZINC000041050911 387588822 /nfs/dbraw/zinc/58/88/22/387588822.db2.gz AAFPBOZJSJBXBU-LLVKDONJSA-N 2 2 235.356 2.604 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430543847 387628528 /nfs/dbraw/zinc/62/85/28/387628528.db2.gz NGNNWLGRVVDEHS-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000430543847 387628534 /nfs/dbraw/zinc/62/85/34/387628534.db2.gz NGNNWLGRVVDEHS-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1cccc(C2CC2)c1 ZINC000422555293 387597767 /nfs/dbraw/zinc/59/77/67/387597767.db2.gz OXHOWRUBBWPYHV-UHFFFAOYSA-N 2 2 232.371 2.653 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)C1CCCCC1 ZINC000125032250 387641669 /nfs/dbraw/zinc/64/16/69/387641669.db2.gz BNGPOGGZZYTVJZ-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCCCC1 ZINC000125032250 387641673 /nfs/dbraw/zinc/64/16/73/387641673.db2.gz BNGPOGGZZYTVJZ-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP CCCCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376557438 387650205 /nfs/dbraw/zinc/65/02/05/387650205.db2.gz JPZBJTDDJIWTJP-ZIAGYGMSSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376557438 387650209 /nfs/dbraw/zinc/65/02/09/387650209.db2.gz JPZBJTDDJIWTJP-ZIAGYGMSSA-N 2 2 224.392 2.735 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000422788482 387653446 /nfs/dbraw/zinc/65/34/46/387653446.db2.gz VLNNVIZGCHOIAH-MLGOLLRUSA-N 2 2 246.398 2.699 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527670647 387654577 /nfs/dbraw/zinc/65/45/77/387654577.db2.gz MEQNIAKDESJUCS-AYCUNASISA-N 2 2 248.414 2.636 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527670647 387654581 /nfs/dbraw/zinc/65/45/81/387654581.db2.gz MEQNIAKDESJUCS-AYCUNASISA-N 2 2 248.414 2.636 20 0 BFADLP c1csc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c1 ZINC000376769150 387668279 /nfs/dbraw/zinc/66/82/79/387668279.db2.gz PUUOBPFOECVEPM-UHFFFAOYSA-N 2 2 247.367 2.571 20 0 BFADLP C[C@@H]([NH2+][C@H]1CSc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422770034 387670321 /nfs/dbraw/zinc/67/03/21/387670321.db2.gz WFFWOBMLDAXLRQ-RTXFEEFZSA-N 2 2 248.395 2.564 20 0 BFADLP C[NH+](C)C1(C[NH2+]C2CCC3(CC3)CC2)CCC1 ZINC000362929356 387675159 /nfs/dbraw/zinc/67/51/59/387675159.db2.gz CUCSMVUQZQLLJV-UHFFFAOYSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CC(C)(C)C)CCC2 ZINC000377831129 387753454 /nfs/dbraw/zinc/75/34/54/387753454.db2.gz KAKGMGMHVHRLSR-LBPRGKRZSA-N 2 2 235.375 2.705 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C[N@@H+]1C1CC1 ZINC000128764883 387753985 /nfs/dbraw/zinc/75/39/85/387753985.db2.gz JFGFZDPMFGDFRC-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCC2CCCC2)C[N@H+]1C1CC1 ZINC000128764883 387753989 /nfs/dbraw/zinc/75/39/89/387753989.db2.gz JFGFZDPMFGDFRC-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H](F)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000440794014 387701892 /nfs/dbraw/zinc/70/18/92/387701892.db2.gz YFJKTHLMQONVBL-AGIUHOORSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000440794014 387701896 /nfs/dbraw/zinc/70/18/96/387701896.db2.gz YFJKTHLMQONVBL-AGIUHOORSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000440794014 387701900 /nfs/dbraw/zinc/70/19/00/387701900.db2.gz YFJKTHLMQONVBL-AGIUHOORSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000440794014 387701904 /nfs/dbraw/zinc/70/19/04/387701904.db2.gz YFJKTHLMQONVBL-AGIUHOORSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000440794017 387703373 /nfs/dbraw/zinc/70/33/73/387703373.db2.gz YFJKTHLMQONVBL-AVGNSLFASA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000440794017 387703377 /nfs/dbraw/zinc/70/33/77/387703377.db2.gz YFJKTHLMQONVBL-AVGNSLFASA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000440794017 387703380 /nfs/dbraw/zinc/70/33/80/387703380.db2.gz YFJKTHLMQONVBL-AVGNSLFASA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000440794017 387703383 /nfs/dbraw/zinc/70/33/83/387703383.db2.gz YFJKTHLMQONVBL-AVGNSLFASA-N 2 2 230.371 2.539 20 0 BFADLP CC[NH+](CC)CCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000528772117 387703804 /nfs/dbraw/zinc/70/38/04/387703804.db2.gz KPSNBZQNWYZNOI-LBPRGKRZSA-N 2 2 248.361 2.838 20 0 BFADLP CC[NH+](CC)CCC[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528772117 387703807 /nfs/dbraw/zinc/70/38/07/387703807.db2.gz KPSNBZQNWYZNOI-LBPRGKRZSA-N 2 2 248.361 2.838 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000527786367 387712471 /nfs/dbraw/zinc/71/24/71/387712471.db2.gz DXOMUIMBEFINDP-QLFBSQMISA-N 2 2 248.414 2.948 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000527786367 387712478 /nfs/dbraw/zinc/71/24/78/387712478.db2.gz DXOMUIMBEFINDP-QLFBSQMISA-N 2 2 248.414 2.948 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCC[C@@H](C)C1 ZINC000452061738 387719395 /nfs/dbraw/zinc/71/93/95/387719395.db2.gz PYOQQTDDHKPMTM-HZSPNIEDSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527811519 387730398 /nfs/dbraw/zinc/73/03/98/387730398.db2.gz XRGTTWRSDCITJY-IPYPFGDCSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527811519 387730406 /nfs/dbraw/zinc/73/04/06/387730406.db2.gz XRGTTWRSDCITJY-IPYPFGDCSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[N@@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000377621958 387733349 /nfs/dbraw/zinc/73/33/49/387733349.db2.gz HLJDJGZUCLEDGC-CQSZACIVSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H](C[N@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000377621958 387733355 /nfs/dbraw/zinc/73/33/55/387733355.db2.gz HLJDJGZUCLEDGC-CQSZACIVSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000643528919 387773252 /nfs/dbraw/zinc/77/32/52/387773252.db2.gz QVBORHBLUXOMHG-RYUDHWBXSA-N 2 2 244.338 2.944 20 0 BFADLP CC1CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527952712 387783558 /nfs/dbraw/zinc/78/35/58/387783558.db2.gz VIDHEHHVGHNIEJ-PIMMBPRGSA-N 2 2 236.403 2.782 20 0 BFADLP CC1CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527952712 387783562 /nfs/dbraw/zinc/78/35/62/387783562.db2.gz VIDHEHHVGHNIEJ-PIMMBPRGSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527980608 387797276 /nfs/dbraw/zinc/79/72/76/387797276.db2.gz ITOJSWUOFLAQLK-FMKPAKJESA-N 2 2 248.414 2.805 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527980608 387797281 /nfs/dbraw/zinc/79/72/81/387797281.db2.gz ITOJSWUOFLAQLK-FMKPAKJESA-N 2 2 248.414 2.805 20 0 BFADLP Cc1c(C)c(C)c(C[NH2+][C@H]2CC[NH2+]C2)c(C)c1C ZINC000422993260 387802599 /nfs/dbraw/zinc/80/25/99/387802599.db2.gz FDPGJUQXUWVEJF-HNNXBMFYSA-N 2 2 246.398 2.680 20 0 BFADLP Cc1c(C)c(C)c(C[NH2+][C@@H]2CC[NH2+]C2)c(C)c1C ZINC000422993261 387803198 /nfs/dbraw/zinc/80/31/98/387803198.db2.gz FDPGJUQXUWVEJF-OAHLLOKOSA-N 2 2 246.398 2.680 20 0 BFADLP C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528003059 387807384 /nfs/dbraw/zinc/80/73/84/387807384.db2.gz RLQSNYFVIVDLFQ-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@@H]1CCCC12CC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528003059 387807388 /nfs/dbraw/zinc/80/73/88/387807388.db2.gz RLQSNYFVIVDLFQ-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528003525 387808594 /nfs/dbraw/zinc/80/85/94/387808594.db2.gz SOWDUUDSCULPEM-KGLIPLIRSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528003525 387808597 /nfs/dbraw/zinc/80/85/97/387808597.db2.gz SOWDUUDSCULPEM-KGLIPLIRSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528003529 387808602 /nfs/dbraw/zinc/80/86/02/387808602.db2.gz SOWDUUDSCULPEM-ZIAGYGMSSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528003529 387808604 /nfs/dbraw/zinc/80/86/04/387808604.db2.gz SOWDUUDSCULPEM-ZIAGYGMSSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(Cl)c1F ZINC000643526626 387758520 /nfs/dbraw/zinc/75/85/20/387758520.db2.gz CNHYGJNUIFGFTH-GZMMTYOYSA-N 2 2 244.741 2.867 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000528012167 387821582 /nfs/dbraw/zinc/82/15/82/387821582.db2.gz OLVQQQIVZMPZLA-GJZGRUSLSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000528012167 387821589 /nfs/dbraw/zinc/82/15/89/387821589.db2.gz OLVQQQIVZMPZLA-GJZGRUSLSA-N 2 2 236.403 2.782 20 0 BFADLP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528015898 387823283 /nfs/dbraw/zinc/82/32/83/387823283.db2.gz ZTPNIPMEAYCZEZ-HNNXBMFYSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528015898 387823292 /nfs/dbraw/zinc/82/32/92/387823292.db2.gz ZTPNIPMEAYCZEZ-HNNXBMFYSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1cccc(O)c1 ZINC000442865573 387853551 /nfs/dbraw/zinc/85/35/51/387853551.db2.gz UPIRPRRODJWAOL-HUBLWGQQSA-N 2 2 248.370 2.526 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(O)c1 ZINC000442865573 387853556 /nfs/dbraw/zinc/85/35/56/387853556.db2.gz UPIRPRRODJWAOL-HUBLWGQQSA-N 2 2 248.370 2.526 20 0 BFADLP c1ccc([C@H](CC2CCC2)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423045012 387855148 /nfs/dbraw/zinc/85/51/48/387855148.db2.gz RWLAIBVVFBWIRC-CVEARBPZSA-N 2 2 244.382 2.869 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCC1 ZINC000528007830 387819504 /nfs/dbraw/zinc/81/95/04/387819504.db2.gz CPKURXOGUVOPGD-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCC1 ZINC000528007830 387819508 /nfs/dbraw/zinc/81/95/08/387819508.db2.gz CPKURXOGUVOPGD-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152183109 387881075 /nfs/dbraw/zinc/88/10/75/387881075.db2.gz GFYNRSURRBQGDM-DZKIICNBSA-N 2 2 246.398 2.895 20 0 BFADLP CC[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152183109 387881077 /nfs/dbraw/zinc/88/10/77/387881077.db2.gz GFYNRSURRBQGDM-DZKIICNBSA-N 2 2 246.398 2.895 20 0 BFADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423145258 387922659 /nfs/dbraw/zinc/92/26/59/387922659.db2.gz JWCXMHZLXXZCNI-GJZGRUSLSA-N 2 2 248.345 2.673 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226316153 387944881 /nfs/dbraw/zinc/94/48/81/387944881.db2.gz BODLAWOCOPLGSE-GOEBONIOSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226316153 387944884 /nfs/dbraw/zinc/94/48/84/387944884.db2.gz BODLAWOCOPLGSE-GOEBONIOSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[N@H+]1CC=CCC1 ZINC000392253412 387947566 /nfs/dbraw/zinc/94/75/66/387947566.db2.gz HBSRTHVBHYVFCP-ZDUSSCGKSA-N 2 2 224.392 2.663 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000392253412 387947569 /nfs/dbraw/zinc/94/75/69/387947569.db2.gz HBSRTHVBHYVFCP-ZDUSSCGKSA-N 2 2 224.392 2.663 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000423179916 387965311 /nfs/dbraw/zinc/96/53/11/387965311.db2.gz DMQIKPIGIHQXHV-ZBFHGGJFSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1C ZINC000423180519 387965465 /nfs/dbraw/zinc/96/54/65/387965465.db2.gz FBNJOXIGQYQVBQ-UKRRQHHQSA-N 2 2 232.371 2.706 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000423179914 387966908 /nfs/dbraw/zinc/96/69/08/387966908.db2.gz DMQIKPIGIHQXHV-HOCLYGCPSA-N 2 2 244.382 2.714 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423183259 387968301 /nfs/dbraw/zinc/96/83/01/387968301.db2.gz HOBIBJWTJPEVFM-ZIAGYGMSSA-N 2 2 236.334 2.618 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000423194810 387979029 /nfs/dbraw/zinc/97/90/29/387979029.db2.gz RRKONXQNRSEBIS-RISCZKNCSA-N 2 2 236.334 2.618 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423188335 387973889 /nfs/dbraw/zinc/97/38/89/387973889.db2.gz LORWUZGLXQFIQN-HZPDHXFCSA-N 2 2 244.382 2.788 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453064015 387976345 /nfs/dbraw/zinc/97/63/45/387976345.db2.gz FQNZPZRYRNRJGI-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453064015 387976348 /nfs/dbraw/zinc/97/63/48/387976348.db2.gz FQNZPZRYRNRJGI-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000245856817 387988051 /nfs/dbraw/zinc/98/80/51/387988051.db2.gz NTVKFDGBEMXBMQ-QWHCGFSZSA-N 2 2 243.354 2.812 20 0 BFADLP C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000245856817 387988055 /nfs/dbraw/zinc/98/80/55/387988055.db2.gz NTVKFDGBEMXBMQ-QWHCGFSZSA-N 2 2 243.354 2.812 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000245888606 387990853 /nfs/dbraw/zinc/99/08/53/387990853.db2.gz YMVYPBTUQGCCFY-GJZGRUSLSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000245888606 387990858 /nfs/dbraw/zinc/99/08/58/387990858.db2.gz YMVYPBTUQGCCFY-GJZGRUSLSA-N 2 2 238.419 2.983 20 0 BFADLP Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1C ZINC000423210791 387995493 /nfs/dbraw/zinc/99/54/93/387995493.db2.gz XMJQBNRWRCBSPN-UONOGXRCSA-N 2 2 232.371 2.624 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000423197507 387984590 /nfs/dbraw/zinc/98/45/90/387984590.db2.gz ZQOAGLAQWOZNKQ-UKRRQHHQSA-N 2 2 232.371 2.706 20 0 BFADLP CCCc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423201994 387987202 /nfs/dbraw/zinc/98/72/02/387987202.db2.gz JYZHRBWMNPBDIQ-WFASDCNBSA-N 2 2 232.371 2.652 20 0 BFADLP CCCc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423201992 387987238 /nfs/dbraw/zinc/98/72/38/387987238.db2.gz JYZHRBWMNPBDIQ-IUODEOHRSA-N 2 2 232.371 2.652 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])o1 ZINC000424374500 387998970 /nfs/dbraw/zinc/99/89/70/387998970.db2.gz LGNQBHDKOZJHSV-RAIGVLPGSA-N 2 2 236.359 2.763 20 0 BFADLP CC[C@@H](Nc1ccc2c(c1)CC[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000423221756 388001379 /nfs/dbraw/zinc/00/13/79/388001379.db2.gz XYNRHKBHZHMLGO-HIFRSBDPSA-N 2 2 245.370 2.597 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423222497 388003363 /nfs/dbraw/zinc/00/33/63/388003363.db2.gz BHXBRTLUDOOTNK-QMMMGPOBSA-N 2 2 247.169 2.863 20 0 BFADLP CC[C@H]([NH2+]CC[NH2+]C)c1ccc(Cl)cc1 ZINC000423223015 388003492 /nfs/dbraw/zinc/00/34/92/388003492.db2.gz DMTYKWBUQRBUNI-LBPRGKRZSA-N 2 2 226.751 2.600 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000423223127 388003962 /nfs/dbraw/zinc/00/39/62/388003962.db2.gz DYCCGQYYQWEHNR-AWEZNQCLSA-N 2 2 220.360 2.583 20 0 BFADLP C[NH2+]CC[NH2+][C@H](c1cc2ccccc2o1)C(C)C ZINC000423223933 388005820 /nfs/dbraw/zinc/00/58/20/388005820.db2.gz IABADJODKQUSJZ-HNNXBMFYSA-N 2 2 246.354 2.939 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](c1cc2ccccc2o1)C(C)C ZINC000423223934 388006433 /nfs/dbraw/zinc/00/64/33/388006433.db2.gz IABADJODKQUSJZ-OAHLLOKOSA-N 2 2 246.354 2.939 20 0 BFADLP C[NH2+]CC[NH2+][C@H](CC(C)C)c1cccs1 ZINC000423224922 388007006 /nfs/dbraw/zinc/00/70/06/388007006.db2.gz KOUZOJFBAAASFJ-LLVKDONJSA-N 2 2 226.389 2.644 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081635064 388010626 /nfs/dbraw/zinc/01/06/26/388010626.db2.gz XUHHJLHRZWYETM-VHDGCEQUSA-N 2 2 247.386 2.830 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCC2 ZINC000423241692 388023733 /nfs/dbraw/zinc/02/37/33/388023733.db2.gz VFASNZMTINKJQS-ZBFHGGJFSA-N 2 2 244.382 2.714 20 0 BFADLP CC[C@H]([NH2+]CC[NH2+]C)c1ccc(Cl)s1 ZINC000423226922 388011707 /nfs/dbraw/zinc/01/17/07/388011707.db2.gz SUMBJBGSXBMMEU-QMMMGPOBSA-N 2 2 232.780 2.662 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423227603 388011729 /nfs/dbraw/zinc/01/17/29/388011729.db2.gz WIQPXRBVTNIOAS-LBPRGKRZSA-N 2 2 246.354 2.920 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](c1cccs1)C1CCCC1 ZINC000423227845 388013663 /nfs/dbraw/zinc/01/36/63/388013663.db2.gz XGPMBANGMSAKBQ-CYBMUJFWSA-N 2 2 238.400 2.788 20 0 BFADLP C[NH2+]CC[NH2+][C@H](c1cccs1)C1CCCC1 ZINC000423227846 388013798 /nfs/dbraw/zinc/01/37/98/388013798.db2.gz XGPMBANGMSAKBQ-ZDUSSCGKSA-N 2 2 238.400 2.788 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229269 388015836 /nfs/dbraw/zinc/01/58/36/388015836.db2.gz AONLQLNVWORAOU-IPYPFGDCSA-N 2 2 244.382 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000423230940 388016798 /nfs/dbraw/zinc/01/67/98/388016798.db2.gz ABFUANZKOFERGF-DGCLKSJQSA-N 2 2 220.360 2.711 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000453235870 388019646 /nfs/dbraw/zinc/01/96/46/388019646.db2.gz AUGNWTUZRXSGLK-OLZOCXBDSA-N 2 2 247.386 2.825 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000453235870 388019651 /nfs/dbraw/zinc/01/96/51/388019651.db2.gz AUGNWTUZRXSGLK-OLZOCXBDSA-N 2 2 247.386 2.825 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](CC)c1cccc(Cl)c1 ZINC000423236420 388020711 /nfs/dbraw/zinc/02/07/11/388020711.db2.gz CIEPRRFOAXTZNQ-ZDUSSCGKSA-N 2 2 240.778 2.990 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423236921 388021525 /nfs/dbraw/zinc/02/15/25/388021525.db2.gz PEYYUFHBYXBPEC-XUJVJEKNSA-N 2 2 230.355 2.577 20 0 BFADLP [NH3+][C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000423239152 388022388 /nfs/dbraw/zinc/02/23/88/388022388.db2.gz AVMRQJUCMDQZCX-BZUAXINKSA-N 2 2 244.382 2.855 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1cc2ccccc2s1 ZINC000423253753 388035764 /nfs/dbraw/zinc/03/57/64/388035764.db2.gz ZRCDQVMGBYSVBJ-JTQLQIEISA-N 2 2 234.368 2.771 20 0 BFADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@@H]1CC1(C)C ZINC000423252656 388035795 /nfs/dbraw/zinc/03/57/95/388035795.db2.gz XZPDPOSRMRLXCS-UBHSHLNASA-N 2 2 232.371 2.711 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000446763653 388037699 /nfs/dbraw/zinc/03/76/99/388037699.db2.gz XTUVLEYCSJEUIV-MQYQWHSLSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000446763653 388037701 /nfs/dbraw/zinc/03/77/01/388037701.db2.gz XTUVLEYCSJEUIV-MQYQWHSLSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423263334 388042377 /nfs/dbraw/zinc/04/23/77/388042377.db2.gz AXPMAXWTQSWZLR-TVQRCGJNSA-N 2 2 242.313 2.599 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000423242933 388026744 /nfs/dbraw/zinc/02/67/44/388026744.db2.gz JQHVFPNWDJHRBP-CYBMUJFWSA-N 2 2 220.360 2.564 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(CC(C)C)c1 ZINC000423243359 388026771 /nfs/dbraw/zinc/02/67/71/388026771.db2.gz KETNEJSFOZSMCR-ZDUSSCGKSA-N 2 2 234.387 2.755 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCC1 ZINC000423244939 388027519 /nfs/dbraw/zinc/02/75/19/388027519.db2.gz IANJLCBZOJMAAU-HUUCEWRRSA-N 2 2 232.371 2.855 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000423244636 388028202 /nfs/dbraw/zinc/02/82/02/388028202.db2.gz LLBKSRXEPOXCSU-ZDUSSCGKSA-N 2 2 224.348 2.566 20 0 BFADLP C[NH2+]CC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000423244635 388028649 /nfs/dbraw/zinc/02/86/49/388028649.db2.gz LLBKSRXEPOXCSU-CYBMUJFWSA-N 2 2 224.348 2.566 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)o1 ZINC000423250096 388031186 /nfs/dbraw/zinc/03/11/86/388031186.db2.gz UPCVNTPOPLMBRP-OCCSQVGLSA-N 2 2 244.338 2.939 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)o1 ZINC000423271804 388051052 /nfs/dbraw/zinc/05/10/52/388051052.db2.gz YFBNTVZSBCAQKT-NEPJUHHUSA-N 2 2 238.375 2.866 20 0 BFADLP CCc1cccnc1[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423272152 388051381 /nfs/dbraw/zinc/05/13/81/388051381.db2.gz YUNYXGXWYUBYFA-GXTWGEPZSA-N 2 2 249.402 2.668 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000083640329 388056040 /nfs/dbraw/zinc/05/60/40/388056040.db2.gz PBZXJGKFHDGDEP-MGPQQGTHSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000083640329 388056043 /nfs/dbraw/zinc/05/60/43/388056043.db2.gz PBZXJGKFHDGDEP-MGPQQGTHSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423276163 388057162 /nfs/dbraw/zinc/05/71/62/388057162.db2.gz MMFVODMUCHIRMC-VXNVDRBHSA-N 2 2 244.791 2.789 20 0 BFADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423276162 388057233 /nfs/dbraw/zinc/05/72/33/388057233.db2.gz MMFVODMUCHIRMC-IONNQARKSA-N 2 2 244.791 2.789 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000423275966 388057351 /nfs/dbraw/zinc/05/73/51/388057351.db2.gz NRWPTTHOLLZBKB-RNCFNFMXSA-N 2 2 242.313 2.599 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)oc1C ZINC000423278326 388059544 /nfs/dbraw/zinc/05/95/44/388059544.db2.gz QQLOMBIPOYMAJC-ZYHUDNBSSA-N 2 2 224.348 2.530 20 0 BFADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1F ZINC000423279410 388059554 /nfs/dbraw/zinc/05/95/54/388059554.db2.gz SKAIFPFLTBMOJI-NEPJUHHUSA-N 2 2 238.350 2.850 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423280351 388062768 /nfs/dbraw/zinc/06/27/68/388062768.db2.gz TXXKTRJMAAPTJL-NOZJJQNGSA-N 2 2 242.313 2.599 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1(C)CC1 ZINC000453403972 388073129 /nfs/dbraw/zinc/07/31/29/388073129.db2.gz RFUFMYKGLNBQBF-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1(C)CC1 ZINC000453403972 388073133 /nfs/dbraw/zinc/07/31/33/388073133.db2.gz RFUFMYKGLNBQBF-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000423295438 388076792 /nfs/dbraw/zinc/07/67/92/388076792.db2.gz AGOZLGCVBIXPLX-HNNXBMFYSA-N 2 2 232.371 2.727 20 0 BFADLP C[C@H]1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)C1 ZINC000084469183 388077721 /nfs/dbraw/zinc/07/77/21/388077721.db2.gz KVWMESQCSZPNGK-JHJVBQTASA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C[C@H](C)C1 ZINC000084469183 388077723 /nfs/dbraw/zinc/07/77/23/388077723.db2.gz KVWMESQCSZPNGK-JHJVBQTASA-N 2 2 236.403 2.637 20 0 BFADLP c1sc2ccccc2c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000084566259 388080177 /nfs/dbraw/zinc/08/01/77/388080177.db2.gz OTHBJUBXGQUMIV-GFCCVEGCSA-N 2 2 246.379 2.743 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000453600102 388090368 /nfs/dbraw/zinc/09/03/68/388090368.db2.gz CESOGNLJVVICMY-LSDHHAIUSA-N 2 2 246.398 2.720 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000463700792 388092151 /nfs/dbraw/zinc/09/21/51/388092151.db2.gz ZAPWAYSHWSODFP-HIFRSBDPSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000463700792 388092153 /nfs/dbraw/zinc/09/21/53/388092153.db2.gz ZAPWAYSHWSODFP-HIFRSBDPSA-N 2 2 236.403 2.807 20 0 BFADLP Cc1cccc(NC[C@H]2[N@H+](C)CCCC2(C)C)[nH+]1 ZINC000447812918 388094024 /nfs/dbraw/zinc/09/40/24/388094024.db2.gz TYEGVYUNRBACBR-CYBMUJFWSA-N 2 2 247.386 2.922 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447895981 388101049 /nfs/dbraw/zinc/10/10/49/388101049.db2.gz FJEPRZLIDRGCNY-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447895981 388101053 /nfs/dbraw/zinc/10/10/53/388101053.db2.gz FJEPRZLIDRGCNY-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)CCc1cccs1 ZINC000086442343 388102893 /nfs/dbraw/zinc/10/28/93/388102893.db2.gz PSPZSWVDYRIAGQ-GFCCVEGCSA-N 2 2 240.416 2.596 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)CCc1cccs1 ZINC000086442343 388102894 /nfs/dbraw/zinc/10/28/94/388102894.db2.gz PSPZSWVDYRIAGQ-GFCCVEGCSA-N 2 2 240.416 2.596 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000086727027 388108386 /nfs/dbraw/zinc/10/83/86/388108386.db2.gz PVBGFLSNWNDYAS-CHWSQXEVSA-N 2 2 238.762 2.743 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)o1 ZINC000423266405 388045887 /nfs/dbraw/zinc/04/58/87/388045887.db2.gz RXMQIJBWXGFQQU-AAEUAGOBSA-N 2 2 238.375 2.920 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)[C@H]1CCCC[C@H]1C ZINC000449227226 388159523 /nfs/dbraw/zinc/15/95/23/388159523.db2.gz TXKMXWNNWPHKOR-RQJABVFESA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449257810 388163178 /nfs/dbraw/zinc/16/31/78/388163178.db2.gz KHQOXPQENYDIPH-NWDGAFQWSA-N 2 2 235.375 2.612 20 0 BFADLP CC(C)C1CC([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000488567028 388187932 /nfs/dbraw/zinc/18/79/32/388187932.db2.gz YKBPRJDQNLEHGT-UHFFFAOYSA-N 2 2 247.386 2.908 20 0 BFADLP Cc1ccc(CCC[NH2+]CCC(C)(F)F)c[nH+]1 ZINC000449354715 388179802 /nfs/dbraw/zinc/17/98/02/388179802.db2.gz QSKFRXAGCALFHF-UHFFFAOYSA-N 2 2 242.313 2.958 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000488511778 388183248 /nfs/dbraw/zinc/18/32/48/388183248.db2.gz HLJFEXQNUNFTKX-XOUADPBQSA-N 2 2 246.398 2.923 20 0 BFADLP Fc1cccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCC2)c1 ZINC000646001998 388123153 /nfs/dbraw/zinc/12/31/53/388123153.db2.gz FOJKVPNSWKUGKS-UHFFFAOYSA-N 2 2 245.301 2.718 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CCCC[C@H]1C ZINC000449101171 388141805 /nfs/dbraw/zinc/14/18/05/388141805.db2.gz DLTQOGTWLSFMEE-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CCCC[C@H]1C ZINC000449101171 388141807 /nfs/dbraw/zinc/14/18/07/388141807.db2.gz DLTQOGTWLSFMEE-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc2ccoc21 ZINC000449099881 388142003 /nfs/dbraw/zinc/14/20/03/388142003.db2.gz ADXVZXKGQXGYBO-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc2ccoc21 ZINC000449099881 388142006 /nfs/dbraw/zinc/14/20/06/388142006.db2.gz ADXVZXKGQXGYBO-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000449377145 388186847 /nfs/dbraw/zinc/18/68/47/388186847.db2.gz RHPCPDZPZLRMIJ-IUODEOHRSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000449377145 388186848 /nfs/dbraw/zinc/18/68/48/388186848.db2.gz RHPCPDZPZLRMIJ-IUODEOHRSA-N 2 2 234.387 2.559 20 0 BFADLP c1cn(CCC[N@@H+]2CCCC[C@H]2C2CCC2)c[nH+]1 ZINC000646139121 388153715 /nfs/dbraw/zinc/15/37/15/388153715.db2.gz JALOHNRHPIKFLB-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CCC[N@H+]2CCCC[C@H]2C2CCC2)c[nH+]1 ZINC000646139121 388153717 /nfs/dbraw/zinc/15/37/17/388153717.db2.gz JALOHNRHPIKFLB-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646140057 388154525 /nfs/dbraw/zinc/15/45/25/388154525.db2.gz QADVEVKVGOEDFO-OAHLLOKOSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000646140057 388154526 /nfs/dbraw/zinc/15/45/26/388154526.db2.gz QADVEVKVGOEDFO-OAHLLOKOSA-N 2 2 247.386 2.617 20 0 BFADLP c1cn(CCC[N@@H+]2CCCC[C@@H]2C2CCC2)c[nH+]1 ZINC000646139122 388154786 /nfs/dbraw/zinc/15/47/86/388154786.db2.gz JALOHNRHPIKFLB-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CCC[N@H+]2CCCC[C@@H]2C2CCC2)c[nH+]1 ZINC000646139122 388154788 /nfs/dbraw/zinc/15/47/88/388154788.db2.gz JALOHNRHPIKFLB-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000449186096 388154963 /nfs/dbraw/zinc/15/49/63/388154963.db2.gz HILDDICTQOCSPU-AEGPPILISA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000449186096 388154964 /nfs/dbraw/zinc/15/49/64/388154964.db2.gz HILDDICTQOCSPU-AEGPPILISA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CC1 ZINC000313263333 256545603 /nfs/dbraw/zinc/54/56/03/256545603.db2.gz LXZYFUMACFRQHU-HNNXBMFYSA-N 2 2 249.402 2.767 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+]CCCc1c[nH+]ccc1C ZINC000449483109 388216499 /nfs/dbraw/zinc/21/64/99/388216499.db2.gz GJCGFXRPRQVVAF-HIFRSBDPSA-N 2 2 232.371 2.958 20 0 BFADLP Cc1ccc([C@H]2CCC[C@H]2[NH2+]CC[NH+](C)C)cc1 ZINC000572846414 388380116 /nfs/dbraw/zinc/38/01/16/388380116.db2.gz ZJMMDGMQPBJURA-HZPDHXFCSA-N 2 2 246.398 2.782 20 0 BFADLP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]CC[NH+](C)C)cc1 ZINC000572846412 388380918 /nfs/dbraw/zinc/38/09/18/388380918.db2.gz ZJMMDGMQPBJURA-CVEARBPZSA-N 2 2 246.398 2.782 20 0 BFADLP CC[C@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000134840639 388480540 /nfs/dbraw/zinc/48/05/40/388480540.db2.gz NFTFBPHOHZYFPW-JTQLQIEISA-N 2 2 235.356 2.822 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCCC(C)(C)C ZINC000308634457 388446100 /nfs/dbraw/zinc/44/61/00/388446100.db2.gz YZLKAVWEYFXMAW-UHFFFAOYSA-N 2 2 214.397 2.743 20 0 BFADLP CC(C)CCC[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000336664893 388461131 /nfs/dbraw/zinc/46/11/31/388461131.db2.gz LCISTBDEODWCER-AWEZNQCLSA-N 2 2 228.424 2.989 20 0 BFADLP CC(C)CC(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309691972 388461229 /nfs/dbraw/zinc/46/12/29/388461229.db2.gz QAXTVZJGXLXCTI-OLZOCXBDSA-N 2 2 226.408 2.598 20 0 BFADLP CC(C)CC(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309691972 388461230 /nfs/dbraw/zinc/46/12/30/388461230.db2.gz QAXTVZJGXLXCTI-OLZOCXBDSA-N 2 2 226.408 2.598 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000397524427 388475937 /nfs/dbraw/zinc/47/59/37/388475937.db2.gz HFKMAJYZXWYYGK-TZMCWYRMSA-N 2 2 232.371 2.957 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000397524425 388476216 /nfs/dbraw/zinc/47/62/16/388476216.db2.gz HFKMAJYZXWYYGK-OCCSQVGLSA-N 2 2 232.371 2.957 20 0 BFADLP CC[N@H+](CC[NH3+])[C@H](C)c1ccc(F)c(Cl)c1 ZINC000300879553 388422274 /nfs/dbraw/zinc/42/22/74/388422274.db2.gz YZPQZKZMWRGFSY-SECBINFHSA-N 2 2 244.741 2.821 20 0 BFADLP CC[N@@H+](CC[NH3+])[C@H](C)c1ccc(F)c(Cl)c1 ZINC000300879553 388422276 /nfs/dbraw/zinc/42/22/76/388422276.db2.gz YZPQZKZMWRGFSY-SECBINFHSA-N 2 2 244.741 2.821 20 0 BFADLP C/C(Cl)=C\C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000528516430 388539585 /nfs/dbraw/zinc/53/95/85/388539585.db2.gz JRQZDEJKZPMWOG-VFJIKVCNSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000528516430 388539587 /nfs/dbraw/zinc/53/95/87/388539587.db2.gz JRQZDEJKZPMWOG-VFJIKVCNSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000528516430 388539589 /nfs/dbraw/zinc/53/95/89/388539589.db2.gz JRQZDEJKZPMWOG-VFJIKVCNSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000528516430 388539591 /nfs/dbraw/zinc/53/95/91/388539591.db2.gz JRQZDEJKZPMWOG-VFJIKVCNSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000528516423 388539857 /nfs/dbraw/zinc/53/98/57/388539857.db2.gz JRQZDEJKZPMWOG-TWEXNZEWSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000528516423 388539858 /nfs/dbraw/zinc/53/98/58/388539858.db2.gz JRQZDEJKZPMWOG-TWEXNZEWSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000528516423 388539862 /nfs/dbraw/zinc/53/98/62/388539862.db2.gz JRQZDEJKZPMWOG-TWEXNZEWSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000528516423 388539863 /nfs/dbraw/zinc/53/98/63/388539863.db2.gz JRQZDEJKZPMWOG-TWEXNZEWSA-N 2 2 242.794 2.547 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000397687486 388490614 /nfs/dbraw/zinc/49/06/14/388490614.db2.gz KOFRUDPLDQVFQB-CIQGVGRVSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000397687486 388490616 /nfs/dbraw/zinc/49/06/16/388490616.db2.gz KOFRUDPLDQVFQB-CIQGVGRVSA-N 2 2 236.403 2.636 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000397810719 388501147 /nfs/dbraw/zinc/50/11/47/388501147.db2.gz PDGMHIVTHXMAAC-KBPBESRZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000397822025 388502509 /nfs/dbraw/zinc/50/25/09/388502509.db2.gz LAPGLXMOHORTLZ-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397887554 388509196 /nfs/dbraw/zinc/50/91/96/388509196.db2.gz OFEALXDYAZDTLC-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000397882683 388509215 /nfs/dbraw/zinc/50/92/15/388509215.db2.gz ZRELFYFGUSXTIM-HNNXBMFYSA-N 2 2 244.382 2.822 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000397936669 388511890 /nfs/dbraw/zinc/51/18/90/388511890.db2.gz SEFNELBWJJXDIV-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C(\C)Cl)C1 ZINC000528397105 388518959 /nfs/dbraw/zinc/51/89/59/388518959.db2.gz SYSAGIUQNUJYPX-XEVNVYFWSA-N 2 2 244.810 2.793 20 0 BFADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C(\C)Cl)C1 ZINC000528397105 388518960 /nfs/dbraw/zinc/51/89/60/388518960.db2.gz SYSAGIUQNUJYPX-XEVNVYFWSA-N 2 2 244.810 2.793 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000245858787 388608091 /nfs/dbraw/zinc/60/80/91/388608091.db2.gz HODRBUSLWHNWDB-UONOGXRCSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000245858787 388608094 /nfs/dbraw/zinc/60/80/94/388608094.db2.gz HODRBUSLWHNWDB-UONOGXRCSA-N 2 2 246.398 2.895 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C(C)(C)C ZINC000521273510 388567770 /nfs/dbraw/zinc/56/77/70/388567770.db2.gz ULECJHYREZTSTL-GFCCVEGCSA-N 2 2 223.364 2.643 20 0 BFADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000549038535 388571326 /nfs/dbraw/zinc/57/13/26/388571326.db2.gz DTMRTJQXXFWZIV-ARLBYUKCSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000549038535 388571329 /nfs/dbraw/zinc/57/13/29/388571329.db2.gz DTMRTJQXXFWZIV-ARLBYUKCSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CC1(C)C ZINC000551233320 388623895 /nfs/dbraw/zinc/62/38/95/388623895.db2.gz RFTSRWXVCCUWJH-WCQYABFASA-N 2 2 247.386 2.744 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530218787 388631690 /nfs/dbraw/zinc/63/16/90/388631690.db2.gz JNTMMSGAOQYOSW-UKRRQHHQSA-N 2 2 244.382 2.930 20 0 BFADLP CCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000521883680 388638204 /nfs/dbraw/zinc/63/82/04/388638204.db2.gz HLKVKEYWZOOQJU-OAHLLOKOSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1cccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000521883680 388638207 /nfs/dbraw/zinc/63/82/07/388638207.db2.gz HLKVKEYWZOOQJU-OAHLLOKOSA-N 2 2 244.382 2.575 20 0 BFADLP CCC1CCC([NH2+][C@@H]2CC[N@H+](CC)C2)CC1 ZINC000328389198 388642981 /nfs/dbraw/zinc/64/29/81/388642981.db2.gz XIYHOYDGAPRXLI-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CCC([NH2+][C@@H]2CC[N@@H+](CC)C2)CC1 ZINC000328389198 388642983 /nfs/dbraw/zinc/64/29/83/388642983.db2.gz XIYHOYDGAPRXLI-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000124235078 388661496 /nfs/dbraw/zinc/66/14/96/388661496.db2.gz LTBBZQAVTDUUOT-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000124235078 388661498 /nfs/dbraw/zinc/66/14/98/388661498.db2.gz LTBBZQAVTDUUOT-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@@H+]1C1CC1 ZINC000128061381 388737554 /nfs/dbraw/zinc/73/75/54/388737554.db2.gz OGQIHPYKCBWFEQ-COMQUAJESA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000128061381 388737558 /nfs/dbraw/zinc/73/75/58/388737558.db2.gz OGQIHPYKCBWFEQ-COMQUAJESA-N 2 2 236.403 2.780 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000539079671 388747165 /nfs/dbraw/zinc/74/71/65/388747165.db2.gz LVZNSSOUQICTQN-KCXAZCMYSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000539079671 388747168 /nfs/dbraw/zinc/74/71/68/388747168.db2.gz LVZNSSOUQICTQN-KCXAZCMYSA-N 2 2 244.382 2.522 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000248909868 388698995 /nfs/dbraw/zinc/69/89/95/388698995.db2.gz BTJSNXNXBRATON-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000248909868 388698996 /nfs/dbraw/zinc/69/89/96/388698996.db2.gz BTJSNXNXBRATON-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248995476 388703029 /nfs/dbraw/zinc/70/30/29/388703029.db2.gz LXVAQSKELUHXMI-BZPMIXESSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000248995476 388703032 /nfs/dbraw/zinc/70/30/32/388703032.db2.gz LXVAQSKELUHXMI-BZPMIXESSA-N 2 2 236.403 2.780 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000249056247 388705832 /nfs/dbraw/zinc/70/58/32/388705832.db2.gz XPXSETMVVQGUGM-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000249056247 388705835 /nfs/dbraw/zinc/70/58/35/388705835.db2.gz XPXSETMVVQGUGM-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000540481111 388807443 /nfs/dbraw/zinc/80/74/43/388807443.db2.gz KMBZFOLRYNDDNV-QWHCGFSZSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000540481111 388807446 /nfs/dbraw/zinc/80/74/46/388807446.db2.gz KMBZFOLRYNDDNV-QWHCGFSZSA-N 2 2 243.354 2.955 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CC ZINC000252709497 388773337 /nfs/dbraw/zinc/77/33/37/388773337.db2.gz DAQGDUYKOCWKSD-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CC ZINC000252709497 388773341 /nfs/dbraw/zinc/77/33/41/388773341.db2.gz DAQGDUYKOCWKSD-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)C1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000230648026 388827053 /nfs/dbraw/zinc/82/70/53/388827053.db2.gz QIJQXHBYBRKTRN-YMAMQOFZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000230648026 388827055 /nfs/dbraw/zinc/82/70/55/388827055.db2.gz QIJQXHBYBRKTRN-YMAMQOFZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000230648018 388827475 /nfs/dbraw/zinc/82/74/75/388827475.db2.gz QIJQXHBYBRKTRN-NRXISQOPSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000230648018 388827478 /nfs/dbraw/zinc/82/74/78/388827478.db2.gz QIJQXHBYBRKTRN-NRXISQOPSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C1CC([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000232828082 388857942 /nfs/dbraw/zinc/85/79/42/388857942.db2.gz YAAIYBLQMXTJNC-UHFFFAOYSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000556231589 388872105 /nfs/dbraw/zinc/87/21/05/388872105.db2.gz BAALVECGFXRQNH-HUUCEWRRSA-N 2 2 236.403 2.949 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000556231589 388872110 /nfs/dbraw/zinc/87/21/10/388872110.db2.gz BAALVECGFXRQNH-HUUCEWRRSA-N 2 2 236.403 2.949 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000129467164 388845955 /nfs/dbraw/zinc/84/59/55/388845955.db2.gz YORNWDMAOLSBQA-RQJABVFESA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000129467164 388845957 /nfs/dbraw/zinc/84/59/57/388845957.db2.gz YORNWDMAOLSBQA-RQJABVFESA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccoc2)CC1 ZINC000094867735 388874934 /nfs/dbraw/zinc/87/49/34/388874934.db2.gz HOTVQGDUENQWEK-GFCCVEGCSA-N 2 2 236.359 2.803 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@@H]1C ZINC000565551006 388954412 /nfs/dbraw/zinc/95/44/12/388954412.db2.gz ULDRXZBEPJEZBD-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000565849421 388973900 /nfs/dbraw/zinc/97/39/00/388973900.db2.gz MIPUPMPEQFLPCN-CABCVRRESA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(C)(C)C1 ZINC000565902559 388977462 /nfs/dbraw/zinc/97/74/62/388977462.db2.gz XUYLNMPIJWKNIF-ZDUSSCGKSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000269933680 389010931 /nfs/dbraw/zinc/01/09/31/389010931.db2.gz DGVHNAREFKDFGU-CQSZACIVSA-N 2 2 230.355 2.878 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C(C)C ZINC000289182794 389033673 /nfs/dbraw/zinc/03/36/73/389033673.db2.gz GECFOQUKWWADOD-ZDUSSCGKSA-N 2 2 220.360 2.957 20 0 BFADLP CC(C)CCC[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000336664900 166812286 /nfs/dbraw/zinc/81/22/86/166812286.db2.gz LCISTBDEODWCER-CQSZACIVSA-N 2 2 228.424 2.989 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000335997566 134042577 /nfs/dbraw/zinc/04/25/77/134042577.db2.gz JTEVLNWKPCUXEV-KBPBESRZSA-N 2 2 245.370 2.566 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000335997566 134042578 /nfs/dbraw/zinc/04/25/78/134042578.db2.gz JTEVLNWKPCUXEV-KBPBESRZSA-N 2 2 245.370 2.566 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336102730 134083909 /nfs/dbraw/zinc/08/39/09/134083909.db2.gz MTWJLSUIISGXJX-OLZOCXBDSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000336148060 134103164 /nfs/dbraw/zinc/10/31/64/134103164.db2.gz UGKALDCQCYUCNS-RYUDHWBXSA-N 2 2 229.327 2.613 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000219600819 134289034 /nfs/dbraw/zinc/28/90/34/134289034.db2.gz GOZVUGRBJGHRDR-JHJVBQTASA-N 2 2 235.375 2.686 20 0 BFADLP CC[C@H](C)[N@H+](C)CCNc1[nH]c2ccccc2[nH+]1 ZINC000220337488 134304092 /nfs/dbraw/zinc/30/40/92/134304092.db2.gz AXLINZAVSJKOAZ-NSHDSACASA-N 2 2 246.358 2.705 20 0 BFADLP CC[C@H](C)[N@@H+](C)CCNc1[nH]c2ccccc2[nH+]1 ZINC000220337488 134304093 /nfs/dbraw/zinc/30/40/93/134304093.db2.gz AXLINZAVSJKOAZ-NSHDSACASA-N 2 2 246.358 2.705 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000221958951 134326892 /nfs/dbraw/zinc/32/68/92/134326892.db2.gz AHYLQZWGWYVWSR-RFGFWPKPSA-N 2 2 235.375 2.686 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000226013507 134358641 /nfs/dbraw/zinc/35/86/41/134358641.db2.gz BKKXYAXMBRCOSK-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000226013507 134358642 /nfs/dbraw/zinc/35/86/42/134358642.db2.gz BKKXYAXMBRCOSK-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1 ZINC000227190653 134374968 /nfs/dbraw/zinc/37/49/68/134374968.db2.gz OOQNQOWGMWRJHN-IUODEOHRSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC2)C1 ZINC000227190653 134374969 /nfs/dbraw/zinc/37/49/69/134374969.db2.gz OOQNQOWGMWRJHN-IUODEOHRSA-N 2 2 230.355 2.574 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000071107816 134928977 /nfs/dbraw/zinc/92/89/77/134928977.db2.gz FAPQRTXRYUJCPT-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000070761534 135012049 /nfs/dbraw/zinc/01/20/49/135012049.db2.gz YYHSGFNOKHVEGG-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000250230981 135050219 /nfs/dbraw/zinc/05/02/19/135050219.db2.gz GCZINYRJEHKQIR-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000250230981 135050221 /nfs/dbraw/zinc/05/02/21/135050221.db2.gz GCZINYRJEHKQIR-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000250242218 135050476 /nfs/dbraw/zinc/05/04/76/135050476.db2.gz HMOSTUZAKAXZSW-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000250242218 135050477 /nfs/dbraw/zinc/05/04/77/135050477.db2.gz HMOSTUZAKAXZSW-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000250324001 135051957 /nfs/dbraw/zinc/05/19/57/135051957.db2.gz NOTFYCJCQUMCHY-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000250324001 135051958 /nfs/dbraw/zinc/05/19/58/135051958.db2.gz NOTFYCJCQUMCHY-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000251861503 135080081 /nfs/dbraw/zinc/08/00/81/135080081.db2.gz PWEYJAWMMNFJFJ-RDBSUJKOSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000251861503 135080082 /nfs/dbraw/zinc/08/00/82/135080082.db2.gz PWEYJAWMMNFJFJ-RDBSUJKOSA-N 2 2 226.408 2.870 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000252185583 135086977 /nfs/dbraw/zinc/08/69/77/135086977.db2.gz UGDBVHYFLQPSMX-WDNDVIMCSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000252739179 135105585 /nfs/dbraw/zinc/10/55/85/135105585.db2.gz HGASGHOPPCJTLW-RQJABVFESA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)[C@H]1C ZINC000252917928 135115771 /nfs/dbraw/zinc/11/57/71/135115771.db2.gz CDEUMAOVLYJJJL-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)Cc1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000259988926 135146294 /nfs/dbraw/zinc/14/62/94/135146294.db2.gz JBWULFAVIPSLRF-CYBMUJFWSA-N 2 2 234.387 2.664 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000259988926 135146295 /nfs/dbraw/zinc/14/62/95/135146295.db2.gz JBWULFAVIPSLRF-CYBMUJFWSA-N 2 2 234.387 2.664 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)c1ccccc1Cl)[C@H](C)[NH3+] ZINC000261529451 135155654 /nfs/dbraw/zinc/15/56/54/135155654.db2.gz AUBIKQYPYMAQLM-AEJSXWLSSA-N 2 2 226.751 2.726 20 0 BFADLP C[C@]1(C[NH3+])CC[N@H+](Cc2sccc2Cl)C1 ZINC000261536688 135171982 /nfs/dbraw/zinc/17/19/82/135171982.db2.gz SMHGRQHECJOYOY-LLVKDONJSA-N 2 2 244.791 2.572 20 0 BFADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2sccc2Cl)C1 ZINC000261536688 135171983 /nfs/dbraw/zinc/17/19/83/135171983.db2.gz SMHGRQHECJOYOY-LLVKDONJSA-N 2 2 244.791 2.572 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261544178 135185258 /nfs/dbraw/zinc/18/52/58/135185258.db2.gz XMFGNCXIHYIOGD-HIFRSBDPSA-N 2 2 232.371 2.554 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000261544178 135185259 /nfs/dbraw/zinc/18/52/59/135185259.db2.gz XMFGNCXIHYIOGD-HIFRSBDPSA-N 2 2 232.371 2.554 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1csc2ccccc12 ZINC000261561067 135201737 /nfs/dbraw/zinc/20/17/37/135201737.db2.gz UZTJNKQWBMAIJM-ZWNOBZJWSA-N 2 2 246.379 2.823 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1csc2ccccc12 ZINC000261561067 135201739 /nfs/dbraw/zinc/20/17/39/135201739.db2.gz UZTJNKQWBMAIJM-ZWNOBZJWSA-N 2 2 246.379 2.823 20 0 BFADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1csc2ccccc12 ZINC000261561066 135202153 /nfs/dbraw/zinc/20/21/53/135202153.db2.gz UZTJNKQWBMAIJM-MFKMUULPSA-N 2 2 246.379 2.823 20 0 BFADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1csc2ccccc12 ZINC000261561066 135202154 /nfs/dbraw/zinc/20/21/54/135202154.db2.gz UZTJNKQWBMAIJM-MFKMUULPSA-N 2 2 246.379 2.823 20 0 BFADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccsc1Cl ZINC000261562847 135204803 /nfs/dbraw/zinc/20/48/03/135204803.db2.gz BQVBYQNIVDLEDQ-RKDXNWHRSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccsc1Cl ZINC000261562847 135204804 /nfs/dbraw/zinc/20/48/04/135204804.db2.gz BQVBYQNIVDLEDQ-RKDXNWHRSA-N 2 2 244.791 2.571 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261564698 135206832 /nfs/dbraw/zinc/20/68/32/135206832.db2.gz HJQYFYSWSMZMLG-XJKSGUPXSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261564698 135206833 /nfs/dbraw/zinc/20/68/33/135206833.db2.gz HJQYFYSWSMZMLG-XJKSGUPXSA-N 2 2 246.398 2.807 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000261580780 135221425 /nfs/dbraw/zinc/22/14/25/135221425.db2.gz NDIQTKDDYPFGAE-SECBINFHSA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261580780 135221427 /nfs/dbraw/zinc/22/14/27/135221427.db2.gz NDIQTKDDYPFGAE-SECBINFHSA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccsc2Cl)C1 ZINC000261580783 135221712 /nfs/dbraw/zinc/22/17/12/135221712.db2.gz NDIQTKDDYPFGAE-VIFPVBQESA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261580783 135221714 /nfs/dbraw/zinc/22/17/14/135221714.db2.gz NDIQTKDDYPFGAE-VIFPVBQESA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000261584404 135225395 /nfs/dbraw/zinc/22/53/95/135225395.db2.gz SEIHNYOKYFSUOI-MLGOLLRUSA-N 2 2 240.350 2.761 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000261584404 135225397 /nfs/dbraw/zinc/22/53/97/135225397.db2.gz SEIHNYOKYFSUOI-MLGOLLRUSA-N 2 2 240.350 2.761 20 0 BFADLP CC(C)(C)C[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261594460 135235244 /nfs/dbraw/zinc/23/52/44/135235244.db2.gz XOGBTCDPNLPIGJ-LLVKDONJSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)(C)C[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261594460 135235245 /nfs/dbraw/zinc/23/52/45/135235245.db2.gz XOGBTCDPNLPIGJ-LLVKDONJSA-N 2 2 212.381 2.624 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000342536232 135281335 /nfs/dbraw/zinc/28/13/35/135281335.db2.gz ICLAHXFKQDWJEB-AWEZNQCLSA-N 2 2 243.354 2.851 20 0 BFADLP CCC1CC([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000342579663 135291941 /nfs/dbraw/zinc/29/19/41/135291941.db2.gz QDUAZMUVNJCFHS-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP CCC1CC([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000342579663 135291943 /nfs/dbraw/zinc/29/19/43/135291943.db2.gz QDUAZMUVNJCFHS-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000342582667 135292696 /nfs/dbraw/zinc/29/26/96/135292696.db2.gz PVQDEAKCGCVPSD-KBPBESRZSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000342582667 135292697 /nfs/dbraw/zinc/29/26/97/135292697.db2.gz PVQDEAKCGCVPSD-KBPBESRZSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000342607186 135303159 /nfs/dbraw/zinc/30/31/59/135303159.db2.gz OTKFWXCIEBQCOF-SNPRPXQTSA-N 2 2 247.386 2.845 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000342607186 135303161 /nfs/dbraw/zinc/30/31/61/135303161.db2.gz OTKFWXCIEBQCOF-SNPRPXQTSA-N 2 2 247.386 2.845 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC1(C)C)[NH+]1CCC(C)CC1 ZINC000342687373 135305223 /nfs/dbraw/zinc/30/52/23/135305223.db2.gz IQKMVCHYACRUNP-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CC([NH2+]C[C@@H]2CCCn3cc[nH+]c32)C1 ZINC000342731758 135316914 /nfs/dbraw/zinc/31/69/14/135316914.db2.gz LKYWFTKVODNJKO-CPCZMJQVSA-N 2 2 233.359 2.539 20 0 BFADLP CC(C)[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342910913 135334384 /nfs/dbraw/zinc/33/43/84/135334384.db2.gz KWYDQQHHWHEKGZ-CYBMUJFWSA-N 2 2 243.354 2.812 20 0 BFADLP CC(C)[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342910913 135334386 /nfs/dbraw/zinc/33/43/86/135334386.db2.gz KWYDQQHHWHEKGZ-CYBMUJFWSA-N 2 2 243.354 2.812 20 0 BFADLP CCCC[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000343150645 135361624 /nfs/dbraw/zinc/36/16/24/135361624.db2.gz QZIRKFWTMPHDPE-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP CCCC[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000343150645 135361625 /nfs/dbraw/zinc/36/16/25/135361625.db2.gz QZIRKFWTMPHDPE-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079977255 135365172 /nfs/dbraw/zinc/36/51/72/135365172.db2.gz UMQYMOSSTAKSSP-QWHCGFSZSA-N 2 2 235.375 2.830 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000081625103 135388595 /nfs/dbraw/zinc/38/85/95/135388595.db2.gz HFZIRPYNDSAENK-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000079972783 135398346 /nfs/dbraw/zinc/39/83/46/135398346.db2.gz DYIHJWLWLLCQDM-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP Cn1c[nH+]cc1CC[NH+]1CCC2(CCCC2)CC1 ZINC000334553756 135693661 /nfs/dbraw/zinc/69/36/61/135693661.db2.gz CNYZQIQWKYRFTM-UHFFFAOYSA-N 2 2 247.386 2.619 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348104200 136036591 /nfs/dbraw/zinc/03/65/91/136036591.db2.gz DHTQAKWMFXSVRT-BNOWGMLFSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000348104200 136036592 /nfs/dbraw/zinc/03/65/92/136036592.db2.gz DHTQAKWMFXSVRT-BNOWGMLFSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000348112706 136037512 /nfs/dbraw/zinc/03/75/12/136037512.db2.gz QSMWAWRPCZSEQR-MGPQQGTHSA-N 2 2 247.386 2.847 20 0 BFADLP c1cn(-c2csc(C[NH+]3CCCCC3)c2)c[nH+]1 ZINC000335324427 136051132 /nfs/dbraw/zinc/05/11/32/136051132.db2.gz SXOOKRCOIZUVMY-UHFFFAOYSA-N 2 2 247.367 2.920 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000348276705 136059506 /nfs/dbraw/zinc/05/95/06/136059506.db2.gz DXVYQJICCVQNSC-JHJVBQTASA-N 2 2 247.386 2.612 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000348294199 136062754 /nfs/dbraw/zinc/06/27/54/136062754.db2.gz QGSQNECPTIDTTE-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000348294199 136062755 /nfs/dbraw/zinc/06/27/55/136062755.db2.gz QGSQNECPTIDTTE-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000348300057 136063702 /nfs/dbraw/zinc/06/37/02/136063702.db2.gz IETJQDGGLCJWHH-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000348300057 136063703 /nfs/dbraw/zinc/06/37/03/136063703.db2.gz IETJQDGGLCJWHH-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1cccs1 ZINC000348311971 136067314 /nfs/dbraw/zinc/06/73/14/136067314.db2.gz UIMDLJKAAOEIKP-UHFFFAOYSA-N 2 2 249.383 2.860 20 0 BFADLP F[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000335370870 136083361 /nfs/dbraw/zinc/08/33/61/136083361.db2.gz AKYKMSGFKAPMBG-VXGBXAGGSA-N 2 2 247.317 2.705 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCC13CCCC3)C2 ZINC000335375045 136085084 /nfs/dbraw/zinc/08/50/84/136085084.db2.gz VQEZYDWYXBIREZ-RISCZKNCSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCC13CCCC3)CC2 ZINC000335375045 136085085 /nfs/dbraw/zinc/08/50/85/136085085.db2.gz VQEZYDWYXBIREZ-RISCZKNCSA-N 2 2 245.370 2.579 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000355779099 397921668 /nfs/dbraw/zinc/92/16/68/397921668.db2.gz GDQSBWFRBGOQEX-MCIONIFRSA-N 2 2 235.375 2.640 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000355779099 397921673 /nfs/dbraw/zinc/92/16/73/397921673.db2.gz GDQSBWFRBGOQEX-MCIONIFRSA-N 2 2 235.375 2.640 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000371528471 397994401 /nfs/dbraw/zinc/99/44/01/397994401.db2.gz MBQKUMLSJTZFGC-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000371528471 397994403 /nfs/dbraw/zinc/99/44/03/397994403.db2.gz MBQKUMLSJTZFGC-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000371528471 397994406 /nfs/dbraw/zinc/99/44/06/397994406.db2.gz MBQKUMLSJTZFGC-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000371528471 397994409 /nfs/dbraw/zinc/99/44/09/397994409.db2.gz MBQKUMLSJTZFGC-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000373099033 398012360 /nfs/dbraw/zinc/01/23/60/398012360.db2.gz MAFRUTPTQAIUCD-LBPRGKRZSA-N 2 2 233.359 2.542 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000373099033 398012361 /nfs/dbraw/zinc/01/23/61/398012361.db2.gz MAFRUTPTQAIUCD-LBPRGKRZSA-N 2 2 233.359 2.542 20 0 BFADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)s1 ZINC000414855283 398064122 /nfs/dbraw/zinc/06/41/22/398064122.db2.gz WPQZFYJWMQTPBR-VIFPVBQESA-N 2 2 246.807 2.865 20 0 BFADLP c1[nH]c(C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000280201108 398054611 /nfs/dbraw/zinc/05/46/11/398054611.db2.gz IYGZXOPQAFFMER-GJZGRUSLSA-N 2 2 241.338 2.836 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C/C=C\c2ccccc2)C1 ZINC000525800642 398122575 /nfs/dbraw/zinc/12/25/75/398122575.db2.gz WZGRWBCZAUOIRQ-GTBONMDNSA-N 2 2 244.382 2.631 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C/C=C\c2ccccc2)C1 ZINC000525800642 398122577 /nfs/dbraw/zinc/12/25/77/398122577.db2.gz WZGRWBCZAUOIRQ-GTBONMDNSA-N 2 2 244.382 2.631 20 0 BFADLP c1sc2ccccc2c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000258807759 322875831 /nfs/dbraw/zinc/87/58/31/322875831.db2.gz DFQMBBQWTKKYQN-GFCCVEGCSA-N 2 2 246.379 2.743 20 0 BFADLP c1cn(-c2csc(C[N@H+]3CC=CCC3)c2)c[nH+]1 ZINC000680335172 487567270 /nfs/dbraw/zinc/56/72/70/487567270.db2.gz SAWTYAGXSUCQGO-UHFFFAOYSA-N 2 2 245.351 2.696 20 0 BFADLP c1cn(-c2csc(C[N@@H+]3CC=CCC3)c2)c[nH+]1 ZINC000680335172 487567274 /nfs/dbraw/zinc/56/72/74/487567274.db2.gz SAWTYAGXSUCQGO-UHFFFAOYSA-N 2 2 245.351 2.696 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000393343561 487572677 /nfs/dbraw/zinc/57/26/77/487572677.db2.gz CFAKBCOLZLRZRF-OCCSQVGLSA-N 2 2 248.370 2.527 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000393343561 487572681 /nfs/dbraw/zinc/57/26/81/487572681.db2.gz CFAKBCOLZLRZRF-OCCSQVGLSA-N 2 2 248.370 2.527 20 0 BFADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cscc1Cl ZINC000393830067 487587428 /nfs/dbraw/zinc/58/74/28/487587428.db2.gz VEDZDAOMUOIZFE-WCBMZHEXSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cscc1Cl ZINC000393830067 487587432 /nfs/dbraw/zinc/58/74/32/487587432.db2.gz VEDZDAOMUOIZFE-WCBMZHEXSA-N 2 2 244.791 2.713 20 0 BFADLP C1=CCC(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000662275294 409584912 /nfs/dbraw/zinc/58/49/12/409584912.db2.gz YZSOICRSGMLUBC-LSDHHAIUSA-N 2 2 234.387 2.559 20 0 BFADLP C1=CCC(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000662275294 409584916 /nfs/dbraw/zinc/58/49/16/409584916.db2.gz YZSOICRSGMLUBC-LSDHHAIUSA-N 2 2 234.387 2.559 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]C[C@@H](C)C1)CC2 ZINC000650715071 410350474 /nfs/dbraw/zinc/35/04/74/410350474.db2.gz OBCRDDYXTDJFNI-JGGQBBKZSA-N 2 2 244.382 2.570 20 0 BFADLP CC(C)(CCc1ccccc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000134521445 410449257 /nfs/dbraw/zinc/44/92/57/410449257.db2.gz PEIWALJVCPYAIP-UHFFFAOYSA-N 2 2 243.354 2.911 20 0 BFADLP C(=C\c1ccccc1)\C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000210541070 166228090 /nfs/dbraw/zinc/22/80/90/166228090.db2.gz YUIGRXDJCMEICB-QZDDGCDVSA-N 2 2 242.366 2.526 20 0 BFADLP C(=C\c1ccccc1)\C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000210541070 166228093 /nfs/dbraw/zinc/22/80/93/166228093.db2.gz YUIGRXDJCMEICB-QZDDGCDVSA-N 2 2 242.366 2.526 20 0 BFADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000210541036 166228440 /nfs/dbraw/zinc/22/84/40/166228440.db2.gz YUIGRXDJCMEICB-IJVDHGTGSA-N 2 2 242.366 2.526 20 0 BFADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000210541036 166228439 /nfs/dbraw/zinc/22/84/39/166228439.db2.gz YUIGRXDJCMEICB-IJVDHGTGSA-N 2 2 242.366 2.526 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000665294949 410789739 /nfs/dbraw/zinc/78/97/39/410789739.db2.gz ZCRLQIQYGBEDKD-CHWSQXEVSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000665295803 410804926 /nfs/dbraw/zinc/80/49/26/410804926.db2.gz JIXIMBNHNQVRBS-VXGBXAGGSA-N 2 2 238.350 2.701 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000665296237 410807852 /nfs/dbraw/zinc/80/78/52/410807852.db2.gz PDWYIDDIRFFLKH-DTWKUNHWSA-N 2 2 244.741 2.738 20 0 BFADLP CC(C)C[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000052417397 167004282 /nfs/dbraw/zinc/00/42/82/167004282.db2.gz PRKHMDSRCWVHNP-CQSZACIVSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)C[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417397 167004284 /nfs/dbraw/zinc/00/42/84/167004284.db2.gz PRKHMDSRCWVHNP-CQSZACIVSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000059181176 167007515 /nfs/dbraw/zinc/00/75/15/167007515.db2.gz QUKVZZNKBSYZOG-UHFFFAOYSA-N 2 2 247.317 2.757 20 0 BFADLP CC(C)=CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000659999679 411162823 /nfs/dbraw/zinc/16/28/23/411162823.db2.gz WEOCJZTVSWROSL-UHFFFAOYSA-N 2 2 233.359 2.876 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660000200 411164676 /nfs/dbraw/zinc/16/46/76/411164676.db2.gz PXKDYLQQDZPQSR-NMWPEEMBSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000660000200 411164678 /nfs/dbraw/zinc/16/46/78/411164678.db2.gz PXKDYLQQDZPQSR-NMWPEEMBSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC[C@H](C)[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660000200 411164680 /nfs/dbraw/zinc/16/46/80/411164680.db2.gz PXKDYLQQDZPQSR-NMWPEEMBSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC[C@H](C)[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660000200 411164681 /nfs/dbraw/zinc/16/46/81/411164681.db2.gz PXKDYLQQDZPQSR-NMWPEEMBSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cscc2Cl)CC[C@@H]1[NH3+] ZINC000309372244 411113969 /nfs/dbraw/zinc/11/39/69/411113969.db2.gz CEIMWURSYPPHJM-KCJUWKMLSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cscc2Cl)CC[C@@H]1[NH3+] ZINC000309372244 411113970 /nfs/dbraw/zinc/11/39/70/411113970.db2.gz CEIMWURSYPPHJM-KCJUWKMLSA-N 2 2 244.791 2.571 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658096055 411243405 /nfs/dbraw/zinc/24/34/05/411243405.db2.gz NIYBJRKNWGSTKO-DGAVXFQQSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658096055 411243406 /nfs/dbraw/zinc/24/34/06/411243406.db2.gz NIYBJRKNWGSTKO-DGAVXFQQSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658093985 411243414 /nfs/dbraw/zinc/24/34/14/411243414.db2.gz WPXQTVBBIBGCQA-KGLIPLIRSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658093985 411243416 /nfs/dbraw/zinc/24/34/16/411243416.db2.gz WPXQTVBBIBGCQA-KGLIPLIRSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000658096163 411243672 /nfs/dbraw/zinc/24/36/72/411243672.db2.gz OIEPAPHDMNDPAG-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000658096163 411243675 /nfs/dbraw/zinc/24/36/75/411243675.db2.gz OIEPAPHDMNDPAG-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658093986 411243794 /nfs/dbraw/zinc/24/37/94/411243794.db2.gz WPXQTVBBIBGCQA-UONOGXRCSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658093986 411243795 /nfs/dbraw/zinc/24/37/95/411243795.db2.gz WPXQTVBBIBGCQA-UONOGXRCSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000656194937 411200371 /nfs/dbraw/zinc/20/03/71/411200371.db2.gz VBBKCDNNPGCEJY-ZDUSSCGKSA-N 2 2 224.392 2.768 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1CC1CCCC1 ZINC000656194937 411200374 /nfs/dbraw/zinc/20/03/74/411200374.db2.gz VBBKCDNNPGCEJY-ZDUSSCGKSA-N 2 2 224.392 2.768 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@H]2CC2CCCC2)c[nH+]1 ZINC000653893144 411212238 /nfs/dbraw/zinc/21/22/38/411212238.db2.gz VDTOXUFESHVXQC-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@H]2CC2CCCC2)c[nH+]1 ZINC000653893144 411212240 /nfs/dbraw/zinc/21/22/40/411212240.db2.gz VDTOXUFESHVXQC-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C ZINC000658055023 411221628 /nfs/dbraw/zinc/22/16/28/411221628.db2.gz HJYGTFCDPMZWQR-NEPJUHHUSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C ZINC000658055023 411221630 /nfs/dbraw/zinc/22/16/30/411221630.db2.gz HJYGTFCDPMZWQR-NEPJUHHUSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccoc1 ZINC000658053922 411221760 /nfs/dbraw/zinc/22/17/60/411221760.db2.gz BYVXNWMSUZAZLY-AAEUAGOBSA-N 2 2 236.359 2.803 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccoc1 ZINC000658053922 411221764 /nfs/dbraw/zinc/22/17/64/411221764.db2.gz BYVXNWMSUZAZLY-AAEUAGOBSA-N 2 2 236.359 2.803 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057708 411224267 /nfs/dbraw/zinc/22/42/67/411224267.db2.gz AVKPUZLAIKYKRH-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057708 411224271 /nfs/dbraw/zinc/22/42/71/411224271.db2.gz AVKPUZLAIKYKRH-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059210 411225519 /nfs/dbraw/zinc/22/55/19/411225519.db2.gz WAUYSSDOMHBTAR-NWDGAFQWSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059210 411225523 /nfs/dbraw/zinc/22/55/23/411225523.db2.gz WAUYSSDOMHBTAR-NWDGAFQWSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059212 411225646 /nfs/dbraw/zinc/22/56/46/411225646.db2.gz WAUYSSDOMHBTAR-VXGBXAGGSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059212 411225650 /nfs/dbraw/zinc/22/56/50/411225650.db2.gz WAUYSSDOMHBTAR-VXGBXAGGSA-N 2 2 212.381 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000658058130 411225887 /nfs/dbraw/zinc/22/58/87/411225887.db2.gz CXIJSQBEBRIOGS-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000658058130 411225889 /nfs/dbraw/zinc/22/58/89/411225889.db2.gz CXIJSQBEBRIOGS-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000658060333 411226444 /nfs/dbraw/zinc/22/64/44/411226444.db2.gz YVVWJENJYVKANP-QWHCGFSZSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000658060333 411226447 /nfs/dbraw/zinc/22/64/47/411226447.db2.gz YVVWJENJYVKANP-QWHCGFSZSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H](C[NH2+]C/C=C\c1ccccc1)[N@H+](C)C1CC1 ZINC000310599371 411230882 /nfs/dbraw/zinc/23/08/82/411230882.db2.gz HCWBDXQNRHXPLZ-PIZKADEWSA-N 2 2 244.382 2.772 20 0 BFADLP C[C@@H](C[NH2+]C/C=C\c1ccccc1)[N@@H+](C)C1CC1 ZINC000310599371 411230886 /nfs/dbraw/zinc/23/08/86/411230886.db2.gz HCWBDXQNRHXPLZ-PIZKADEWSA-N 2 2 244.382 2.772 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000658286322 411322276 /nfs/dbraw/zinc/32/22/76/411322276.db2.gz RFKLFPYIVUUCBJ-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000658286322 411322279 /nfs/dbraw/zinc/32/22/79/411322279.db2.gz RFKLFPYIVUUCBJ-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000658284410 411322984 /nfs/dbraw/zinc/32/29/84/411322984.db2.gz GCMHXGNVZWXRMD-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000658284410 411322988 /nfs/dbraw/zinc/32/29/88/411322988.db2.gz GCMHXGNVZWXRMD-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccncc1 ZINC000656677203 411323179 /nfs/dbraw/zinc/32/31/79/411323179.db2.gz RZUCGMCZTXFLER-JSGCOSHPSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccncc1 ZINC000656677203 411323181 /nfs/dbraw/zinc/32/31/81/411323181.db2.gz RZUCGMCZTXFLER-JSGCOSHPSA-N 2 2 247.386 2.605 20 0 BFADLP Cc1cc[nH+]c(NCc2[nH]cc[nH+]2)c1C1CC1 ZINC000656779238 411357690 /nfs/dbraw/zinc/35/76/90/411357690.db2.gz JWGXQJUDLPATGR-UHFFFAOYSA-N 2 2 228.299 2.603 20 0 BFADLP CCc1ccc(C)[nH+]c1NCc1c[nH+]c(C)n1C ZINC000656778881 411358345 /nfs/dbraw/zinc/35/83/45/411358345.db2.gz MMYZPUHKYDZVDR-UHFFFAOYSA-N 2 2 244.342 2.606 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291604959 168102441 /nfs/dbraw/zinc/10/24/41/168102441.db2.gz QQZYBEPOFPLQNZ-UKRRQHHQSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000291604959 168102444 /nfs/dbraw/zinc/10/24/44/168102444.db2.gz QQZYBEPOFPLQNZ-UKRRQHHQSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CC(C)C)CC1 ZINC000336690919 168111896 /nfs/dbraw/zinc/11/18/96/168111896.db2.gz WNZPXBMCXXDFPL-AWEZNQCLSA-N 2 2 224.392 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CC(C)C)CC1 ZINC000336690919 168111897 /nfs/dbraw/zinc/11/18/97/168111897.db2.gz WNZPXBMCXXDFPL-AWEZNQCLSA-N 2 2 224.392 2.663 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000358134510 168112186 /nfs/dbraw/zinc/11/21/86/168112186.db2.gz JMWDUVSEZFUYNQ-HNNXBMFYSA-N 2 2 234.387 2.584 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000358134510 168112188 /nfs/dbraw/zinc/11/21/88/168112188.db2.gz JMWDUVSEZFUYNQ-HNNXBMFYSA-N 2 2 234.387 2.584 20 0 BFADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000309707678 168146324 /nfs/dbraw/zinc/14/63/24/168146324.db2.gz IHQBMPCCNHWQPK-BBBYJDLNSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000309707678 168146325 /nfs/dbraw/zinc/14/63/25/168146325.db2.gz IHQBMPCCNHWQPK-BBBYJDLNSA-N 2 2 246.398 2.895 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000040771127 168180463 /nfs/dbraw/zinc/18/04/63/168180463.db2.gz KXJGYSCLLRPZFI-HUUCEWRRSA-N 2 2 238.419 2.887 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000040771115 168180577 /nfs/dbraw/zinc/18/05/77/168180577.db2.gz GHFZTRFLLIWISX-LSDHHAIUSA-N 2 2 238.419 2.887 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000040771121 168181730 /nfs/dbraw/zinc/18/17/30/168181730.db2.gz GHFZTRFLLIWISX-CABCVRRESA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000119016233 168185735 /nfs/dbraw/zinc/18/57/35/168185735.db2.gz ZBYCTBXOBILBKB-ZIAGYGMSSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)=CCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000662233538 411382532 /nfs/dbraw/zinc/38/25/32/411382532.db2.gz GOLPSACXCFCHFL-OLZOCXBDSA-N 2 2 210.365 2.544 20 0 BFADLP CC(C)=CCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000662233538 411382536 /nfs/dbraw/zinc/38/25/36/411382536.db2.gz GOLPSACXCFCHFL-OLZOCXBDSA-N 2 2 210.365 2.544 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657306070 411457677 /nfs/dbraw/zinc/45/76/77/411457677.db2.gz XVRFZYBADIVQCA-JSGCOSHPSA-N 2 2 247.386 2.888 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657306073 411458604 /nfs/dbraw/zinc/45/86/04/411458604.db2.gz XVRFZYBADIVQCA-OCCSQVGLSA-N 2 2 247.386 2.888 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)Cc1cccs1 ZINC000271156847 411428152 /nfs/dbraw/zinc/42/81/52/411428152.db2.gz NYHFHEPWFNTLDX-UHFFFAOYSA-N 2 2 240.416 2.912 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cccs1 ZINC000271156847 411428156 /nfs/dbraw/zinc/42/81/56/411428156.db2.gz NYHFHEPWFNTLDX-UHFFFAOYSA-N 2 2 240.416 2.912 20 0 BFADLP CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)C(C)C ZINC000414683142 411438710 /nfs/dbraw/zinc/43/87/10/411438710.db2.gz AQVMTMGAQYPAPZ-STQMWFEESA-N 2 2 214.397 2.726 20 0 BFADLP CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@@H](C)C(C)C ZINC000414683142 411438715 /nfs/dbraw/zinc/43/87/15/411438715.db2.gz AQVMTMGAQYPAPZ-STQMWFEESA-N 2 2 214.397 2.726 20 0 BFADLP C[C@]1([NH2+]CC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000406110388 411451513 /nfs/dbraw/zinc/45/15/13/411451513.db2.gz MRQKTQSKAMXBKM-INIZCTEOSA-N 2 2 244.382 2.651 20 0 BFADLP C[C@]1([NH2+]CC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406110388 411451517 /nfs/dbraw/zinc/45/15/17/411451517.db2.gz MRQKTQSKAMXBKM-INIZCTEOSA-N 2 2 244.382 2.651 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCc3ccccc32)n1C ZINC000657296656 411454307 /nfs/dbraw/zinc/45/43/07/411454307.db2.gz JLUNNAVPBNZOQC-OAHLLOKOSA-N 2 2 241.338 2.506 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@H](C)C1 ZINC000657358996 411476138 /nfs/dbraw/zinc/47/61/38/411476138.db2.gz OSTXGQGYKMJDNP-YRGRVCCFSA-N 2 2 247.386 2.744 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)n1C ZINC000657379656 411487491 /nfs/dbraw/zinc/48/74/91/411487491.db2.gz CMIQMMKEUUTIMW-CABCVRRESA-N 2 2 247.386 2.787 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CC1(C)C ZINC000657494446 411533671 /nfs/dbraw/zinc/53/36/71/411533671.db2.gz OGRLOYPBCDPIGI-QWHCGFSZSA-N 2 2 247.386 2.744 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)c[nH+]1 ZINC000659883478 411490140 /nfs/dbraw/zinc/49/01/40/411490140.db2.gz USGHRPFPTIHIHU-LXTVHRRPSA-N 2 2 245.370 2.566 20 0 BFADLP c1cn([C@@H]2CCC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)c[nH+]1 ZINC000659883478 411490143 /nfs/dbraw/zinc/49/01/43/411490143.db2.gz USGHRPFPTIHIHU-LXTVHRRPSA-N 2 2 245.370 2.566 20 0 BFADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH2+]C(C)(C)C ZINC000415088930 411490957 /nfs/dbraw/zinc/49/09/57/411490957.db2.gz MQPCQHOHIDMLSE-WFASDCNBSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH2+]C(C)(C)C ZINC000415088925 411491062 /nfs/dbraw/zinc/49/10/62/411491062.db2.gz MQPCQHOHIDMLSE-DOMZBBRYSA-N 2 2 246.398 2.898 20 0 BFADLP CC(C)C(C)(C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657442275 411511521 /nfs/dbraw/zinc/51/15/21/411511521.db2.gz RANPFKNARCVDLT-UHFFFAOYSA-N 2 2 235.375 2.601 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657441731 411511629 /nfs/dbraw/zinc/51/16/29/411511629.db2.gz HAMYSMLFCCLMSP-OLZOCXBDSA-N 2 2 247.386 2.888 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657443018 411511920 /nfs/dbraw/zinc/51/19/20/411511920.db2.gz WHKNMQRIJKHOEV-GFCCVEGCSA-N 2 2 247.386 2.888 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2ccccc2C2CC2)C1 ZINC000655792402 411515380 /nfs/dbraw/zinc/51/53/80/411515380.db2.gz OKYKCRYWDMXMHL-UHFFFAOYSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@H]1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657328184 411465801 /nfs/dbraw/zinc/46/58/01/411465801.db2.gz RQEVFVRSWHUOGR-STQMWFEESA-N 2 2 247.386 2.745 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000336907774 170011777 /nfs/dbraw/zinc/01/17/77/170011777.db2.gz ZFMRYWJYBJGIQR-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000336907774 170011779 /nfs/dbraw/zinc/01/17/79/170011779.db2.gz ZFMRYWJYBJGIQR-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000328441146 170014344 /nfs/dbraw/zinc/01/43/44/170014344.db2.gz ARIPWBKDSPHGRO-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000328441146 170014345 /nfs/dbraw/zinc/01/43/45/170014345.db2.gz ARIPWBKDSPHGRO-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000328368755 170014718 /nfs/dbraw/zinc/01/47/18/170014718.db2.gz RRXAFEOMECGBJI-UONOGXRCSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000328368755 170014719 /nfs/dbraw/zinc/01/47/19/170014719.db2.gz RRXAFEOMECGBJI-UONOGXRCSA-N 2 2 232.371 2.740 20 0 BFADLP CC[C@H](C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655855807 411538926 /nfs/dbraw/zinc/53/89/26/411538926.db2.gz ISQOEWUPNYSIPT-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655855807 411538929 /nfs/dbraw/zinc/53/89/29/411538929.db2.gz ISQOEWUPNYSIPT-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCCC(C)C)C1 ZINC000328441165 170023112 /nfs/dbraw/zinc/02/31/12/170023112.db2.gz ASGLXSJOQQMXAG-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCCC(C)C)C1 ZINC000328441165 170023113 /nfs/dbraw/zinc/02/31/13/170023113.db2.gz ASGLXSJOQQMXAG-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]CC2(CC(C)C)CC2)[C@@H](C)C1 ZINC000358387383 170035860 /nfs/dbraw/zinc/03/58/60/170035860.db2.gz BMEVPAJXOLKKRX-KBPBESRZSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+]CC2(CC(C)C)CC2)[C@@H](C)C1 ZINC000358387383 170035862 /nfs/dbraw/zinc/03/58/62/170035862.db2.gz BMEVPAJXOLKKRX-KBPBESRZSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000657522832 411541730 /nfs/dbraw/zinc/54/17/30/411541730.db2.gz FFINQIPHHXVGKP-ZIAGYGMSSA-N 2 2 236.403 2.805 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000657522832 411541732 /nfs/dbraw/zinc/54/17/32/411541732.db2.gz FFINQIPHHXVGKP-ZIAGYGMSSA-N 2 2 236.403 2.805 20 0 BFADLP CCC(CC)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657524776 411542729 /nfs/dbraw/zinc/54/27/29/411542729.db2.gz RESWDINGVSIVIS-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657524776 411542731 /nfs/dbraw/zinc/54/27/31/411542731.db2.gz RESWDINGVSIVIS-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CCCCC1 ZINC000657525137 411542891 /nfs/dbraw/zinc/54/28/91/411542891.db2.gz UEJIERSNYHNGQA-CYBMUJFWSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CCCCC1 ZINC000657525137 411542893 /nfs/dbraw/zinc/54/28/93/411542893.db2.gz UEJIERSNYHNGQA-CYBMUJFWSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525558 411543460 /nfs/dbraw/zinc/54/34/60/411543460.db2.gz SPZKYJUGVPSNSV-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525558 411543462 /nfs/dbraw/zinc/54/34/62/411543462.db2.gz SPZKYJUGVPSNSV-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849237 411536995 /nfs/dbraw/zinc/53/69/95/411536995.db2.gz REHVFGYZFDCVDW-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849237 411536998 /nfs/dbraw/zinc/53/69/98/411536998.db2.gz REHVFGYZFDCVDW-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000161316133 170115698 /nfs/dbraw/zinc/11/56/98/170115698.db2.gz QPQONDJPGQKGIW-UHFFFAOYSA-N 2 2 220.360 2.509 20 0 BFADLP CC(C)C[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657562707 411552187 /nfs/dbraw/zinc/55/21/87/411552187.db2.gz OCNGSCUCPAXOEN-OLZOCXBDSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657562707 411552188 /nfs/dbraw/zinc/55/21/88/411552188.db2.gz OCNGSCUCPAXOEN-OLZOCXBDSA-N 2 2 226.408 2.883 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657578935 411554121 /nfs/dbraw/zinc/55/41/21/411554121.db2.gz NJCITUPFNSZJRG-LLVKDONJSA-N 2 2 235.375 2.744 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC2C[C@H](C)C[C@@H](C)C2)n1C ZINC000657590155 411555732 /nfs/dbraw/zinc/55/57/32/411555732.db2.gz WDEKVOLNZHDKSK-VXGBXAGGSA-N 2 2 249.402 2.890 20 0 BFADLP CC[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000657587210 411557870 /nfs/dbraw/zinc/55/78/70/411557870.db2.gz SFMHBNKPTDEFAF-YNEHKIRRSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000657587210 411557872 /nfs/dbraw/zinc/55/78/72/411557872.db2.gz SFMHBNKPTDEFAF-YNEHKIRRSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(F)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657645277 411568590 /nfs/dbraw/zinc/56/85/90/411568590.db2.gz QIRXMPKQAWMSKZ-UHFFFAOYSA-N 2 2 235.306 2.562 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000663378851 411642324 /nfs/dbraw/zinc/64/23/24/411642324.db2.gz IYMZKBURZJMJDQ-AWEZNQCLSA-N 2 2 247.386 2.922 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)C1CC1 ZINC000657681808 411580375 /nfs/dbraw/zinc/58/03/75/411580375.db2.gz SDSAVELBHCLATH-AWEZNQCLSA-N 2 2 243.354 2.921 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@]3(C)CC3(C)C)n2c1 ZINC000657761858 411591419 /nfs/dbraw/zinc/59/14/19/411591419.db2.gz SYAUFXYHUORUQI-OAHLLOKOSA-N 2 2 243.354 2.921 20 0 BFADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CCC1 ZINC000660549263 411598065 /nfs/dbraw/zinc/59/80/65/411598065.db2.gz KTQSPBMPELBYSI-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCC1CCC1 ZINC000660549263 411598067 /nfs/dbraw/zinc/59/80/67/411598067.db2.gz KTQSPBMPELBYSI-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCSCC1 ZINC000657876351 411615158 /nfs/dbraw/zinc/61/51/58/411615158.db2.gz AQOWZUGZVHUHJF-CYBMUJFWSA-N 2 2 244.448 2.594 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCSCC1 ZINC000657876351 411615160 /nfs/dbraw/zinc/61/51/60/411615160.db2.gz AQOWZUGZVHUHJF-CYBMUJFWSA-N 2 2 244.448 2.594 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)o1 ZINC000132088407 411768511 /nfs/dbraw/zinc/76/85/11/411768511.db2.gz XNBJULPCMXRQIS-HUUCEWRRSA-N 2 2 242.322 2.822 20 0 BFADLP Cc1[nH+]c2c(n1Cc1c[nH+]ccc1C)CCCC2 ZINC000664048469 411829011 /nfs/dbraw/zinc/82/90/11/411829011.db2.gz ILGUXAMGSSDQPW-UHFFFAOYSA-N 2 2 241.338 2.822 20 0 BFADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)C(C)C ZINC000090847320 170897785 /nfs/dbraw/zinc/89/77/85/170897785.db2.gz KSDBKIKOPMDLLM-CQSZACIVSA-N 2 2 220.360 2.957 20 0 BFADLP c1cn(CC[N@@H+]2CCCC[C@@H]2CC2CCC2)c[nH+]1 ZINC000662156056 412011193 /nfs/dbraw/zinc/01/11/93/412011193.db2.gz KFGLVKNLXBNQMT-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CC[N@H+]2CCCC[C@@H]2CC2CCC2)c[nH+]1 ZINC000662156056 412011195 /nfs/dbraw/zinc/01/11/95/412011195.db2.gz KFGLVKNLXBNQMT-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CC[N@@H+]2CCCC[C@H]2CC2CCC2)c[nH+]1 ZINC000662156050 412011374 /nfs/dbraw/zinc/01/13/74/412011374.db2.gz KFGLVKNLXBNQMT-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CC[N@H+]2CCCC[C@H]2CC2CCC2)c[nH+]1 ZINC000662156050 412011378 /nfs/dbraw/zinc/01/13/78/412011378.db2.gz KFGLVKNLXBNQMT-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662043358 411960309 /nfs/dbraw/zinc/96/03/09/411960309.db2.gz JNTVZYUSABAAJG-OAHLLOKOSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662043358 411960314 /nfs/dbraw/zinc/96/03/14/411960314.db2.gz JNTVZYUSABAAJG-OAHLLOKOSA-N 2 2 247.386 2.704 20 0 BFADLP CC(C)c1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000662246364 412043868 /nfs/dbraw/zinc/04/38/68/412043868.db2.gz WHMWCCMYXLONEA-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000662246364 412043869 /nfs/dbraw/zinc/04/38/69/412043869.db2.gz WHMWCCMYXLONEA-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000309708630 171050437 /nfs/dbraw/zinc/05/04/37/171050437.db2.gz PRYQDVGBXVBURV-IGQOVBAYSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000309937024 171059271 /nfs/dbraw/zinc/05/92/71/171059271.db2.gz AGQGIPVMTPPFTN-TZMCWYRMSA-N 2 2 218.344 2.711 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000310015827 171059592 /nfs/dbraw/zinc/05/95/92/171059592.db2.gz KVNVGDMCSLIVKE-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000310015827 171059594 /nfs/dbraw/zinc/05/95/94/171059594.db2.gz KVNVGDMCSLIVKE-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000357354888 171285086 /nfs/dbraw/zinc/28/50/86/171285086.db2.gz MWLUAUTUAIWCAQ-AAEUAGOBSA-N 2 2 235.375 2.705 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]CCn1cc[nH+]c1 ZINC000041050907 171296146 /nfs/dbraw/zinc/29/61/46/171296146.db2.gz TVPFTJKNQMGRRS-QWHCGFSZSA-N 2 2 223.364 2.688 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358194226 171298069 /nfs/dbraw/zinc/29/80/69/171298069.db2.gz SBUHIFKGTUUAHH-XFMPKHEZSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358194226 171298071 /nfs/dbraw/zinc/29/80/71/171298071.db2.gz SBUHIFKGTUUAHH-XFMPKHEZSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358194221 171298387 /nfs/dbraw/zinc/29/83/87/171298387.db2.gz SBUHIFKGTUUAHH-PWNZVWSESA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358194221 171298389 /nfs/dbraw/zinc/29/83/89/171298389.db2.gz SBUHIFKGTUUAHH-PWNZVWSESA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)c1ccc2c(c1)C[N@H+](C[C@H](C)[NH3+])CC2 ZINC000662298263 412084112 /nfs/dbraw/zinc/08/41/12/412084112.db2.gz AUJMLEZGRCCTNU-LBPRGKRZSA-N 2 2 232.371 2.515 20 0 BFADLP CC(C)c1ccc2c(c1)C[N@@H+](C[C@H](C)[NH3+])CC2 ZINC000662298263 412084115 /nfs/dbraw/zinc/08/41/15/412084115.db2.gz AUJMLEZGRCCTNU-LBPRGKRZSA-N 2 2 232.371 2.515 20 0 BFADLP CC(C)=CCC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000662286854 412078458 /nfs/dbraw/zinc/07/84/58/412078458.db2.gz SSXQNMCGRPUVET-MRXNPFEDSA-N 2 2 244.382 2.901 20 0 BFADLP CC(C)=CCC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000662286854 412078461 /nfs/dbraw/zinc/07/84/61/412078461.db2.gz SSXQNMCGRPUVET-MRXNPFEDSA-N 2 2 244.382 2.901 20 0 BFADLP CC[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000053448151 171341953 /nfs/dbraw/zinc/34/19/53/171341953.db2.gz TYKUIZYKOYSAGU-KBPBESRZSA-N 2 2 246.398 2.821 20 0 BFADLP CC[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000053448151 171341955 /nfs/dbraw/zinc/34/19/55/171341955.db2.gz TYKUIZYKOYSAGU-KBPBESRZSA-N 2 2 246.398 2.821 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130559218 171364686 /nfs/dbraw/zinc/36/46/86/171364686.db2.gz UVPIBLNDMKHORO-QWHCGFSZSA-N 2 2 245.370 2.901 20 0 BFADLP C[C@@H](c1cccc(F)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293197 412081791 /nfs/dbraw/zinc/08/17/91/412081791.db2.gz QMLLGOAEXLTKDZ-JTQLQIEISA-N 2 2 224.323 2.556 20 0 BFADLP C[C@@H](c1cccc(F)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293197 412081794 /nfs/dbraw/zinc/08/17/94/412081794.db2.gz QMLLGOAEXLTKDZ-JTQLQIEISA-N 2 2 224.323 2.556 20 0 BFADLP CC(C)[C@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000665242420 412185668 /nfs/dbraw/zinc/18/56/68/412185668.db2.gz WUZDMELKQXRBIF-MAZHCROVSA-N 2 2 244.382 2.823 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000665245209 412188747 /nfs/dbraw/zinc/18/87/47/412188747.db2.gz BUOQALLDCLODTQ-GOEBONIOSA-N 2 2 246.398 2.924 20 0 BFADLP CC[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C(C)C ZINC000040772015 171521858 /nfs/dbraw/zinc/52/18/58/171521858.db2.gz YYGQZWIOZYHHMF-AWEZNQCLSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000129043641 171625499 /nfs/dbraw/zinc/62/54/99/171625499.db2.gz JGFFQAGKQUZUGV-GJZGRUSLSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000665294210 412234503 /nfs/dbraw/zinc/23/45/03/412234503.db2.gz KHPCANBABZLKBJ-ZWNOBZJWSA-N 2 2 240.778 2.989 20 0 BFADLP CCCc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665294302 412239074 /nfs/dbraw/zinc/23/90/74/412239074.db2.gz MCWKMVNDYNTQNB-QWHCGFSZSA-N 2 2 234.387 2.898 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000665294245 412239085 /nfs/dbraw/zinc/23/90/85/412239085.db2.gz LAGBAOGRHWWCJE-QWHCGFSZSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000665294919 412241218 /nfs/dbraw/zinc/24/12/18/412241218.db2.gz YRNCNKXHFZBBGT-TYNCELHUSA-N 2 2 232.371 2.823 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000665294719 412241268 /nfs/dbraw/zinc/24/12/68/412241268.db2.gz UZKOYUHCPFTKTB-QWRGUYRKSA-N 2 2 232.327 2.691 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000665295026 412241320 /nfs/dbraw/zinc/24/13/20/412241320.db2.gz ZSZSMVWBJLHAQM-HTQZYQBOSA-N 2 2 232.780 2.660 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000665296091 412243342 /nfs/dbraw/zinc/24/33/42/412243342.db2.gz MRZPCXXQQAIRIM-SGMGOOAPSA-N 2 2 232.371 2.741 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000665297857 412244907 /nfs/dbraw/zinc/24/49/07/412244907.db2.gz NCAHDCRIJOQXCO-NEPJUHHUSA-N 2 2 232.371 2.823 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000665296930 412245271 /nfs/dbraw/zinc/24/52/71/412245271.db2.gz ZXEHHNBLQVIDJT-AAEUAGOBSA-N 2 2 220.360 2.562 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000269066846 171832243 /nfs/dbraw/zinc/83/22/43/171832243.db2.gz ZCZFZPZZMDCVHB-VXGBXAGGSA-N 2 2 238.375 2.833 20 0 BFADLP CCc1[nH+]ccn1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000339116582 172025301 /nfs/dbraw/zinc/02/53/01/172025301.db2.gz RMFFEBLMDWDWLZ-ZDUSSCGKSA-N 2 2 235.375 2.708 20 0 BFADLP CCc1[nH+]ccn1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000339116582 172025304 /nfs/dbraw/zinc/02/53/04/172025304.db2.gz RMFFEBLMDWDWLZ-ZDUSSCGKSA-N 2 2 235.375 2.708 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000328165503 487624546 /nfs/dbraw/zinc/62/45/46/487624546.db2.gz ITHQBSIPHSQXJL-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000328165503 487624550 /nfs/dbraw/zinc/62/45/50/487624550.db2.gz ITHQBSIPHSQXJL-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000285547462 173035036 /nfs/dbraw/zinc/03/50/36/173035036.db2.gz ULDAHAHUGPLFKT-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000285547462 173035039 /nfs/dbraw/zinc/03/50/39/173035039.db2.gz ULDAHAHUGPLFKT-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000328097388 173056878 /nfs/dbraw/zinc/05/68/78/173056878.db2.gz KCCQUZCAHOILKF-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000328097388 173056881 /nfs/dbraw/zinc/05/68/81/173056881.db2.gz KCCQUZCAHOILKF-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[NH2+]CC[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000037269520 173353072 /nfs/dbraw/zinc/35/30/72/173353072.db2.gz BOVVRMIEGBYVAX-UHFFFAOYSA-N 2 2 234.387 2.635 20 0 BFADLP C[NH2+]CC[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000037269520 173353073 /nfs/dbraw/zinc/35/30/73/173353073.db2.gz BOVVRMIEGBYVAX-UHFFFAOYSA-N 2 2 234.387 2.635 20 0 BFADLP C[NH2+]CC[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000062014478 173353723 /nfs/dbraw/zinc/35/37/23/173353723.db2.gz HDPLDEXCTJASEY-SNVBAGLBSA-N 2 2 226.751 2.552 20 0 BFADLP C[NH2+]CC[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000062014478 173353724 /nfs/dbraw/zinc/35/37/24/173353724.db2.gz HDPLDEXCTJASEY-SNVBAGLBSA-N 2 2 226.751 2.552 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000133029937 173369230 /nfs/dbraw/zinc/36/92/30/173369230.db2.gz ZMIAIYGTKILGJC-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000133029937 173369232 /nfs/dbraw/zinc/36/92/32/173369232.db2.gz ZMIAIYGTKILGJC-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000564822375 322931022 /nfs/dbraw/zinc/93/10/22/322931022.db2.gz MOZPYUXGHUFYER-HNNXBMFYSA-N 2 2 232.371 2.727 20 0 BFADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235330594 176014307 /nfs/dbraw/zinc/01/43/07/176014307.db2.gz HIGMKGZIDGFPKR-NRUUGDAUSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235330594 176014308 /nfs/dbraw/zinc/01/43/08/176014308.db2.gz HIGMKGZIDGFPKR-NRUUGDAUSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000095936748 176021880 /nfs/dbraw/zinc/02/18/80/176021880.db2.gz UNNZMQCLCNEIDY-DZGCQCFKSA-N 2 2 230.355 2.576 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000095936748 176021881 /nfs/dbraw/zinc/02/18/81/176021881.db2.gz UNNZMQCLCNEIDY-DZGCQCFKSA-N 2 2 230.355 2.576 20 0 BFADLP C[C@@H](c1cccnc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000162465443 176028520 /nfs/dbraw/zinc/02/85/20/176028520.db2.gz PEMGDXHJRSYXBY-AWEZNQCLSA-N 2 2 247.386 2.560 20 0 BFADLP C[C@@H](c1cccnc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000162465443 176028522 /nfs/dbraw/zinc/02/85/22/176028522.db2.gz PEMGDXHJRSYXBY-AWEZNQCLSA-N 2 2 247.386 2.560 20 0 BFADLP C[C@@H](c1cccnc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162456016 176029688 /nfs/dbraw/zinc/02/96/88/176029688.db2.gz FPKPZKANMQRHPE-ZFWWWQNUSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1cccnc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162456016 176029690 /nfs/dbraw/zinc/02/96/90/176029690.db2.gz FPKPZKANMQRHPE-ZFWWWQNUSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1cccnc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000162456016 176029692 /nfs/dbraw/zinc/02/96/92/176029692.db2.gz FPKPZKANMQRHPE-ZFWWWQNUSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1cccnc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000162456016 176029694 /nfs/dbraw/zinc/02/96/94/176029694.db2.gz FPKPZKANMQRHPE-ZFWWWQNUSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353247348 176052083 /nfs/dbraw/zinc/05/20/83/176052083.db2.gz IZKMJEADKPDZCX-GYSYKLTISA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353247348 176052086 /nfs/dbraw/zinc/05/20/86/176052086.db2.gz IZKMJEADKPDZCX-GYSYKLTISA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000054243648 176076972 /nfs/dbraw/zinc/07/69/72/176076972.db2.gz BJQGNNSLMONKCT-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000054243648 176076973 /nfs/dbraw/zinc/07/69/73/176076973.db2.gz BJQGNNSLMONKCT-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1C ZINC000049327833 176123635 /nfs/dbraw/zinc/12/36/35/176123635.db2.gz FAJAIYBFXFUFGT-MGPQQGTHSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)C1CC1 ZINC000300418694 176144273 /nfs/dbraw/zinc/14/42/73/176144273.db2.gz ZTRQLSMPSPUMNB-BHPKHCPMSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)C1CC1 ZINC000300418694 176144276 /nfs/dbraw/zinc/14/42/76/176144276.db2.gz ZTRQLSMPSPUMNB-BHPKHCPMSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000091960186 176175541 /nfs/dbraw/zinc/17/55/41/176175541.db2.gz YBAFJDQYUXMOON-OCCSQVGLSA-N 2 2 245.326 2.559 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000091960186 176175543 /nfs/dbraw/zinc/17/55/43/176175543.db2.gz YBAFJDQYUXMOON-OCCSQVGLSA-N 2 2 245.326 2.559 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)[C@@H]1C ZINC000180685972 176176140 /nfs/dbraw/zinc/17/61/40/176176140.db2.gz GYMKIRGGMNKVFI-VXGBXAGGSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H]1C ZINC000180685972 176176141 /nfs/dbraw/zinc/17/61/41/176176141.db2.gz GYMKIRGGMNKVFI-VXGBXAGGSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000062619237 176185379 /nfs/dbraw/zinc/18/53/79/176185379.db2.gz AMQDDVDFUNYFGA-LLVKDONJSA-N 2 2 238.762 2.524 20 0 BFADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccc(Cl)cc1 ZINC000062619237 176185381 /nfs/dbraw/zinc/18/53/81/176185381.db2.gz AMQDDVDFUNYFGA-LLVKDONJSA-N 2 2 238.762 2.524 20 0 BFADLP C[C@@H]1CC[C@@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180310503 176197262 /nfs/dbraw/zinc/19/72/62/176197262.db2.gz GLAWIGCDIUYETO-CHWSQXEVSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180310503 176197263 /nfs/dbraw/zinc/19/72/63/176197263.db2.gz GLAWIGCDIUYETO-CHWSQXEVSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000228981269 176213455 /nfs/dbraw/zinc/21/34/55/176213455.db2.gz ZCICIHDOBURUPK-XPKDYRNWSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000300419234 176232723 /nfs/dbraw/zinc/23/27/23/176232723.db2.gz UABLXLRQWPSIGD-BHPKHCPMSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000300419234 176232725 /nfs/dbraw/zinc/23/27/25/176232725.db2.gz UABLXLRQWPSIGD-BHPKHCPMSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000353250601 176234632 /nfs/dbraw/zinc/23/46/32/176234632.db2.gz PBYGXWHWIIIXDQ-NDBYEHHHSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000353250601 176234633 /nfs/dbraw/zinc/23/46/33/176234633.db2.gz PBYGXWHWIIIXDQ-NDBYEHHHSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000358064171 176274153 /nfs/dbraw/zinc/27/41/53/176274153.db2.gz PIRHROFFUIKYQR-KCXAZCMYSA-N 2 2 244.382 2.677 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000358064171 176274154 /nfs/dbraw/zinc/27/41/54/176274154.db2.gz PIRHROFFUIKYQR-KCXAZCMYSA-N 2 2 244.382 2.677 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000340422902 176282530 /nfs/dbraw/zinc/28/25/30/176282530.db2.gz YURRBDVKVWNYQC-YPFBPSECSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000340422902 176282532 /nfs/dbraw/zinc/28/25/32/176282532.db2.gz YURRBDVKVWNYQC-YPFBPSECSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337984093 176282573 /nfs/dbraw/zinc/28/25/73/176282573.db2.gz ALWXXCWLAAZGEU-MEYUZBJRSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337984093 176282575 /nfs/dbraw/zinc/28/25/75/176282575.db2.gz ALWXXCWLAAZGEU-MEYUZBJRSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@@H]1[NH3+] ZINC000235396887 176310942 /nfs/dbraw/zinc/31/09/42/176310942.db2.gz JYKRUONSURZMHI-MFKMUULPSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)C[C@@H]1[NH3+] ZINC000235396887 176310943 /nfs/dbraw/zinc/31/09/43/176310943.db2.gz JYKRUONSURZMHI-MFKMUULPSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000183462494 176361773 /nfs/dbraw/zinc/36/17/73/176361773.db2.gz AJBJBYOIRKDUDL-CHWSQXEVSA-N 2 2 243.354 2.812 20 0 BFADLP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000104362786 176371114 /nfs/dbraw/zinc/37/11/14/176371114.db2.gz LPSZPZAEEJFWFG-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000104362786 176371116 /nfs/dbraw/zinc/37/11/16/176371116.db2.gz LPSZPZAEEJFWFG-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C[N@@H+]1C1CC1 ZINC000128765340 176374627 /nfs/dbraw/zinc/37/46/27/176374627.db2.gz JFGFZDPMFGDFRC-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCC2CCCC2)C[N@H+]1C1CC1 ZINC000128765340 176374628 /nfs/dbraw/zinc/37/46/28/176374628.db2.gz JFGFZDPMFGDFRC-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCCC2)C[N@@H+]1C1CC1 ZINC000119454262 176375268 /nfs/dbraw/zinc/37/52/68/176375268.db2.gz AVYJKDDSOJSLHK-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2(C)CCCC2)C[N@H+]1C1CC1 ZINC000119454262 176375270 /nfs/dbraw/zinc/37/52/70/176375270.db2.gz AVYJKDDSOJSLHK-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC000300403509 176376724 /nfs/dbraw/zinc/37/67/24/176376724.db2.gz GNZGUNGSFZISEE-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC000300403509 176376726 /nfs/dbraw/zinc/37/67/26/176376726.db2.gz GNZGUNGSFZISEE-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCC3)C[N@@H+]1C1CC1 ZINC000337419470 176379431 /nfs/dbraw/zinc/37/94/31/176379431.db2.gz FDUVDJVFYQWEQR-YRGRVCCFSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC23CCC3)C[N@H+]1C1CC1 ZINC000337419470 176379433 /nfs/dbraw/zinc/37/94/33/176379433.db2.gz FDUVDJVFYQWEQR-YRGRVCCFSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCC3)C[N@@H+]1C1CC1 ZINC000337419467 176379710 /nfs/dbraw/zinc/37/97/10/176379710.db2.gz FDUVDJVFYQWEQR-BZPMIXESSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCC3)C[N@H+]1C1CC1 ZINC000337419467 176379712 /nfs/dbraw/zinc/37/97/12/176379712.db2.gz FDUVDJVFYQWEQR-BZPMIXESSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC[NH3+] ZINC000054416834 177032902 /nfs/dbraw/zinc/03/29/02/177032902.db2.gz PSJRPINHMHASMC-SECBINFHSA-N 2 2 246.276 2.657 20 0 BFADLP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC[NH3+] ZINC000054416834 177032904 /nfs/dbraw/zinc/03/29/04/177032904.db2.gz PSJRPINHMHASMC-SECBINFHSA-N 2 2 246.276 2.657 20 0 BFADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[NH3+] ZINC000054416999 177033010 /nfs/dbraw/zinc/03/30/10/177033010.db2.gz WFQRPEUVLQBOIW-MRVPVSSYSA-N 2 2 247.169 2.945 20 0 BFADLP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[NH3+] ZINC000054416999 177033011 /nfs/dbraw/zinc/03/30/11/177033011.db2.gz WFQRPEUVLQBOIW-MRVPVSSYSA-N 2 2 247.169 2.945 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674863872 487636774 /nfs/dbraw/zinc/63/67/74/487636774.db2.gz RMKHBRFIPGMWCP-QWHCGFSZSA-N 2 2 221.348 2.566 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674863872 487636779 /nfs/dbraw/zinc/63/67/79/487636779.db2.gz RMKHBRFIPGMWCP-QWHCGFSZSA-N 2 2 221.348 2.566 20 0 BFADLP C[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000127730528 177065576 /nfs/dbraw/zinc/06/55/76/177065576.db2.gz BGEFWDKQYAAKIH-JHJVBQTASA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000127730528 177065578 /nfs/dbraw/zinc/06/55/78/177065578.db2.gz BGEFWDKQYAAKIH-JHJVBQTASA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1CCCC[C@H]1C[NH2+]CCCn1cc[nH+]c1 ZINC000042861038 177086361 /nfs/dbraw/zinc/08/63/61/177086361.db2.gz DTPIPOYCHZDZTQ-KBPBESRZSA-N 2 2 235.375 2.689 20 0 BFADLP C[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438788 177088817 /nfs/dbraw/zinc/08/88/17/177088817.db2.gz PGBZYRRMBKPBFQ-GXTWGEPZSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@H]1CCC[C@H](C)C1[NH2+]CC[NH+]1CCCCC1 ZINC000049574455 177130224 /nfs/dbraw/zinc/13/02/24/177130224.db2.gz LUIYECNSSUXVOK-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)CC[C@@H]1C ZINC000180307129 177165026 /nfs/dbraw/zinc/16/50/26/177165026.db2.gz NTVKFDGBEMXBMQ-STQMWFEESA-N 2 2 243.354 2.812 20 0 BFADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)CC[C@@H]1C ZINC000180307129 177165028 /nfs/dbraw/zinc/16/50/28/177165028.db2.gz NTVKFDGBEMXBMQ-STQMWFEESA-N 2 2 243.354 2.812 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)[N@H+](C)C1CC1 ZINC000300669505 177184060 /nfs/dbraw/zinc/18/40/60/177184060.db2.gz PNIPZFMNIBYSCE-OSFYFWSMSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000300669505 177184061 /nfs/dbraw/zinc/18/40/61/177184061.db2.gz PNIPZFMNIBYSCE-OSFYFWSMSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1CC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000355595118 177190255 /nfs/dbraw/zinc/19/02/55/177190255.db2.gz FYYWIDXQLWAEGQ-QWHCGFSZSA-N 2 2 243.354 2.860 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]CC[NH+](C)C)c2ccccc21 ZINC000136950938 177193719 /nfs/dbraw/zinc/19/37/19/177193719.db2.gz DCMCIYGFOCHFLQ-SWLSCSKDSA-N 2 2 232.371 2.776 20 0 BFADLP C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336792101 177194891 /nfs/dbraw/zinc/19/48/91/177194891.db2.gz QOFYJYIZTZJUNS-WFASDCNBSA-N 2 2 241.338 2.760 20 0 BFADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000300308881 177332429 /nfs/dbraw/zinc/33/24/29/177332429.db2.gz LIACPSTZMRUOKK-ZOBORPQBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000300308881 177332431 /nfs/dbraw/zinc/33/24/31/177332431.db2.gz LIACPSTZMRUOKK-ZOBORPQBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000133186906 177345601 /nfs/dbraw/zinc/34/56/01/177345601.db2.gz OWDAMUQWPQZELS-GXTWGEPZSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@H]1C[C@H]([NH+](C)Cc2cccs2)CC[N@@H+]1C ZINC000093644034 177364884 /nfs/dbraw/zinc/36/48/84/177364884.db2.gz BWRVLUXBEQEZSV-NWDGAFQWSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@H]([NH+](C)Cc2cccs2)CC[N@H+]1C ZINC000093644034 177364886 /nfs/dbraw/zinc/36/48/86/177364886.db2.gz BWRVLUXBEQEZSV-NWDGAFQWSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@H]([N@H+](C)Cc2cccs2)CC[NH+]1C ZINC000093644034 177364888 /nfs/dbraw/zinc/36/48/88/177364888.db2.gz BWRVLUXBEQEZSV-NWDGAFQWSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cccs2)CC[NH+]1C ZINC000093644034 177364890 /nfs/dbraw/zinc/36/48/90/177364890.db2.gz BWRVLUXBEQEZSV-NWDGAFQWSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CCCCCC2)C[N@@H+]1C1CC1 ZINC000122284470 177368680 /nfs/dbraw/zinc/36/86/80/177368680.db2.gz XGMXLBDAEKGYNV-JSGCOSHPSA-N 2 2 236.403 2.924 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CCCCCC2)C[N@H+]1C1CC1 ZINC000122284470 177368681 /nfs/dbraw/zinc/36/86/81/177368681.db2.gz XGMXLBDAEKGYNV-JSGCOSHPSA-N 2 2 236.403 2.924 20 0 BFADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000300306540 177370735 /nfs/dbraw/zinc/37/07/35/177370735.db2.gz HHRPAQXNCPWKQC-RQJABVFESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000300306540 177370736 /nfs/dbraw/zinc/37/07/36/177370736.db2.gz HHRPAQXNCPWKQC-RQJABVFESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000089553383 177372194 /nfs/dbraw/zinc/37/21/94/177372194.db2.gz JNOMWVFFYLZPTP-GUTXKFCHSA-N 2 2 244.382 2.962 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000089553383 177372195 /nfs/dbraw/zinc/37/21/95/177372195.db2.gz JNOMWVFFYLZPTP-GUTXKFCHSA-N 2 2 244.382 2.962 20 0 BFADLP C[C@H]1C[C@H]1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000488333816 225376915 /nfs/dbraw/zinc/37/69/15/225376915.db2.gz VOZJQWKUZAGQPF-JSGCOSHPSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000488436540 225397253 /nfs/dbraw/zinc/39/72/53/225397253.db2.gz CJDPWPCUSJPZCU-FMKPAKJESA-N 2 2 246.398 2.753 20 0 BFADLP C[C@H](C[NH2+]C[C@@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000488436540 225397258 /nfs/dbraw/zinc/39/72/58/225397258.db2.gz CJDPWPCUSJPZCU-FMKPAKJESA-N 2 2 246.398 2.753 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000328292057 487645145 /nfs/dbraw/zinc/64/51/45/487645145.db2.gz VBHWKFAXCNCWHS-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000328292057 487645151 /nfs/dbraw/zinc/64/51/51/487645151.db2.gz VBHWKFAXCNCWHS-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)[C@@H]1C ZINC000494947635 226272020 /nfs/dbraw/zinc/27/20/20/226272020.db2.gz ALDPHSHUWLIAHT-YIYPIFLZSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)[C@@H]1C ZINC000494947635 226272021 /nfs/dbraw/zinc/27/20/21/226272021.db2.gz ALDPHSHUWLIAHT-YIYPIFLZSA-N 2 2 238.419 2.741 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CCCCC1(F)F ZINC000308629691 229237397 /nfs/dbraw/zinc/23/73/97/229237397.db2.gz CQUAMXBLSCRPJG-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000162950533 487674088 /nfs/dbraw/zinc/67/40/88/487674088.db2.gz HTCMEOGOAAVRAG-GXTWGEPZSA-N 2 2 234.387 2.958 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000328448208 487688286 /nfs/dbraw/zinc/68/82/86/487688286.db2.gz CKLMCGYIHFUENK-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000328448208 487688291 /nfs/dbraw/zinc/68/82/91/487688291.db2.gz CKLMCGYIHFUENK-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC/C=C\CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000681024613 487700517 /nfs/dbraw/zinc/70/05/17/487700517.db2.gz HXAKXNZNRBFNTJ-ARJAWSKDSA-N 2 2 233.359 2.945 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000328533678 487707281 /nfs/dbraw/zinc/70/72/81/487707281.db2.gz ZECNHNZFPGMZFP-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000328533678 487707284 /nfs/dbraw/zinc/70/72/84/487707284.db2.gz ZECNHNZFPGMZFP-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)c[nH+]1 ZINC000678235691 487764989 /nfs/dbraw/zinc/76/49/89/487764989.db2.gz YCKXVMRFPHLLGL-HUUCEWRRSA-N 2 2 245.370 2.876 20 0 BFADLP c1cn([C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)c[nH+]1 ZINC000678235691 487764993 /nfs/dbraw/zinc/76/49/93/487764993.db2.gz YCKXVMRFPHLLGL-HUUCEWRRSA-N 2 2 245.370 2.876 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675766328 487775664 /nfs/dbraw/zinc/77/56/64/487775664.db2.gz JCPYAMMLKHYAQY-IVMMDQJWSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675766328 487775668 /nfs/dbraw/zinc/77/56/68/487775668.db2.gz JCPYAMMLKHYAQY-IVMMDQJWSA-N 2 2 244.382 2.604 20 0 BFADLP Cc1occc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000666304715 487782427 /nfs/dbraw/zinc/78/24/27/487782427.db2.gz VGXHLQIFMZMIND-CQSZACIVSA-N 2 2 245.326 2.622 20 0 BFADLP Cc1occc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000666304715 487782430 /nfs/dbraw/zinc/78/24/30/487782430.db2.gz VGXHLQIFMZMIND-CQSZACIVSA-N 2 2 245.326 2.622 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668460204 487784211 /nfs/dbraw/zinc/78/42/11/487784211.db2.gz NIYBJRKNWGSTKO-MQYQWHSLSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668460204 487784217 /nfs/dbraw/zinc/78/42/17/487784217.db2.gz NIYBJRKNWGSTKO-MQYQWHSLSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668460206 487784384 /nfs/dbraw/zinc/78/43/84/487784384.db2.gz NIYBJRKNWGSTKO-YIYPIFLZSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668460206 487784389 /nfs/dbraw/zinc/78/43/89/487784389.db2.gz NIYBJRKNWGSTKO-YIYPIFLZSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000514091148 487786555 /nfs/dbraw/zinc/78/65/55/487786555.db2.gz XTQRDTIHZZSLCL-LSDHHAIUSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000514091005 487786829 /nfs/dbraw/zinc/78/68/29/487786829.db2.gz XTQRDTIHZZSLCL-CABCVRRESA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000675934735 487793939 /nfs/dbraw/zinc/79/39/39/487793939.db2.gz UBYDOBGGDSMXGY-JMSVASOKSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000675934735 487793943 /nfs/dbraw/zinc/79/39/43/487793943.db2.gz UBYDOBGGDSMXGY-JMSVASOKSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000675934736 487793957 /nfs/dbraw/zinc/79/39/57/487793957.db2.gz UBYDOBGGDSMXGY-LALPHHSUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000675934736 487793962 /nfs/dbraw/zinc/79/39/62/487793962.db2.gz UBYDOBGGDSMXGY-LALPHHSUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCC[C@@H]2C)C1 ZINC000681411507 487796329 /nfs/dbraw/zinc/79/63/29/487796329.db2.gz DBBXWADNTDTMKN-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCC[C@@H]2C)C1 ZINC000681411507 487796334 /nfs/dbraw/zinc/79/63/34/487796334.db2.gz DBBXWADNTDTMKN-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP CCCc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C2)cc1 ZINC000666467251 487813961 /nfs/dbraw/zinc/81/39/61/487813961.db2.gz MLYNBUIKICYZMK-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000666467251 487813965 /nfs/dbraw/zinc/81/39/65/487813965.db2.gz MLYNBUIKICYZMK-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCCC[C@H]1C ZINC000651676318 487815538 /nfs/dbraw/zinc/81/55/38/487815538.db2.gz WIPHGLJGSIGNLZ-MCIONIFRSA-N 2 2 235.375 2.830 20 0 BFADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000252710370 322943119 /nfs/dbraw/zinc/94/31/19/322943119.db2.gz GKZIXQTVYNITQA-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668064419 487824243 /nfs/dbraw/zinc/82/42/43/487824243.db2.gz LNYUIXQWWMZGOA-GFCCVEGCSA-N 2 2 245.370 2.594 20 0 BFADLP C[C@@H]1CC2(CCC2)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668064419 487824248 /nfs/dbraw/zinc/82/42/48/487824248.db2.gz LNYUIXQWWMZGOA-GFCCVEGCSA-N 2 2 245.370 2.594 20 0 BFADLP Fc1ccc(/C=C/C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666769323 487854957 /nfs/dbraw/zinc/85/49/57/487854957.db2.gz YQRWHMOSDIGPJO-NHZBNJEXSA-N 2 2 248.345 2.571 20 0 BFADLP C[NH+](C)[C@@H](C[NH2+]CC1(C)CC1)Cc1ccccc1 ZINC000558961446 322957072 /nfs/dbraw/zinc/95/70/72/322957072.db2.gz UTQXPUPGQIXLAR-OAHLLOKOSA-N 2 2 246.398 2.549 20 0 BFADLP Cc1ccc(CCC[NH+]2CC(C(C)C)C2)c[nH+]1 ZINC000684407865 487867393 /nfs/dbraw/zinc/86/73/93/487867393.db2.gz DQOYHQDZFRNQQW-UHFFFAOYSA-N 2 2 232.371 2.910 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1C(C)(C)C1(C)C ZINC000676560189 487873333 /nfs/dbraw/zinc/87/33/33/487873333.db2.gz JDTNEWJKRAWPJF-VXGBXAGGSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1C(C)(C)C1(C)C ZINC000676560189 487873336 /nfs/dbraw/zinc/87/33/36/487873336.db2.gz JDTNEWJKRAWPJF-VXGBXAGGSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000670266717 487874712 /nfs/dbraw/zinc/87/47/12/487874712.db2.gz VETCAJABZLYWLX-UONOGXRCSA-N 2 2 240.435 2.990 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000670266717 487874719 /nfs/dbraw/zinc/87/47/19/487874719.db2.gz VETCAJABZLYWLX-UONOGXRCSA-N 2 2 240.435 2.990 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000670266718 487874753 /nfs/dbraw/zinc/87/47/53/487874753.db2.gz VETCAJABZLYWLX-ZIAGYGMSSA-N 2 2 240.435 2.990 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000670266718 487874763 /nfs/dbraw/zinc/87/47/63/487874763.db2.gz VETCAJABZLYWLX-ZIAGYGMSSA-N 2 2 240.435 2.990 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000670266716 487875046 /nfs/dbraw/zinc/87/50/46/487875046.db2.gz VETCAJABZLYWLX-KGLIPLIRSA-N 2 2 240.435 2.990 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000670266716 487875051 /nfs/dbraw/zinc/87/50/51/487875051.db2.gz VETCAJABZLYWLX-KGLIPLIRSA-N 2 2 240.435 2.990 20 0 BFADLP c1c2ccccc2oc1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666766806 487875605 /nfs/dbraw/zinc/87/56/05/487875605.db2.gz FUSWGTFMOYMTKW-ZDUSSCGKSA-N 2 2 244.338 2.665 20 0 BFADLP c1cc(C2CC2)ccc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666770470 487877282 /nfs/dbraw/zinc/87/72/82/487877282.db2.gz CFWQCBRVXVGXCQ-MRXNPFEDSA-N 2 2 244.382 2.796 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000669847151 487881704 /nfs/dbraw/zinc/88/17/04/487881704.db2.gz KIKJCGFADQFOEV-HRCADAONSA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000669847151 487881700 /nfs/dbraw/zinc/88/17/00/487881700.db2.gz KIKJCGFADQFOEV-HRCADAONSA-N 2 2 248.414 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000676642950 487886331 /nfs/dbraw/zinc/88/63/31/487886331.db2.gz GPTLVMSLKGHLBJ-HKLWWIALSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000676642950 487886335 /nfs/dbraw/zinc/88/63/35/487886335.db2.gz GPTLVMSLKGHLBJ-HKLWWIALSA-N 2 2 248.345 2.523 20 0 BFADLP CCC[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072820 487894983 /nfs/dbraw/zinc/89/49/83/487894983.db2.gz KRURPAMPPBXFRS-CHWSQXEVSA-N 2 2 221.348 2.709 20 0 BFADLP CCC[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072820 487894986 /nfs/dbraw/zinc/89/49/86/487894986.db2.gz KRURPAMPPBXFRS-CHWSQXEVSA-N 2 2 221.348 2.709 20 0 BFADLP c1ccc(C2CC2)c(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000666992497 487923537 /nfs/dbraw/zinc/92/35/37/487923537.db2.gz KSNGLRYYHHSKMA-HNNXBMFYSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@@H](C[NH+]1CCCC1)Nc1cccc(C)[nH+]1 ZINC000681208483 487935475 /nfs/dbraw/zinc/93/54/75/487935475.db2.gz AAGJFJKONGDGSQ-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000676872080 487938504 /nfs/dbraw/zinc/93/85/04/487938504.db2.gz KCEIVHWEIPZIOC-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000676872080 487938509 /nfs/dbraw/zinc/93/85/09/487938509.db2.gz KCEIVHWEIPZIOC-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000561542791 323003791 /nfs/dbraw/zinc/00/37/91/323003791.db2.gz MNDSGLVZRCRECP-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000561542791 323003792 /nfs/dbraw/zinc/00/37/92/323003792.db2.gz MNDSGLVZRCRECP-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H](C[NH2+][C@H](C(C)C)C1CC1)[NH+]1CCCC1 ZINC000151714397 323025063 /nfs/dbraw/zinc/02/50/63/323025063.db2.gz SRXJOJHHSWTZHA-LSDHHAIUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[NH+](C)C ZINC000408510728 323047164 /nfs/dbraw/zinc/04/71/64/323047164.db2.gz ZHXHHVRMPBTUSS-XQLPTFJDSA-N 2 2 238.419 2.741 20 0 BFADLP C1CC12CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000570107504 323050186 /nfs/dbraw/zinc/05/01/86/323050186.db2.gz MMSZMQNVNPQSHT-HIFRSBDPSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC12CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000570107504 323050187 /nfs/dbraw/zinc/05/01/87/323050187.db2.gz MMSZMQNVNPQSHT-HIFRSBDPSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000570897375 323073675 /nfs/dbraw/zinc/07/36/75/323073675.db2.gz SFXFUTNKBPMNOM-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000570897375 323073676 /nfs/dbraw/zinc/07/36/76/323073676.db2.gz SFXFUTNKBPMNOM-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CC2)CC(C)(C)C1 ZINC000397866392 323099332 /nfs/dbraw/zinc/09/93/32/323099332.db2.gz HNKAWCPUADNCLA-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000531704787 323111945 /nfs/dbraw/zinc/11/19/45/323111945.db2.gz MLBGVTINZRHTCE-CBBWQLFWSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000531704787 323111946 /nfs/dbraw/zinc/11/19/46/323111946.db2.gz MLBGVTINZRHTCE-CBBWQLFWSA-N 2 2 238.419 2.741 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311612 323113018 /nfs/dbraw/zinc/11/30/18/323113018.db2.gz NVJMTGSGOJQLDQ-WFASDCNBSA-N 2 2 232.371 2.591 20 0 BFADLP CC[C@H](C)C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311612 323113019 /nfs/dbraw/zinc/11/30/19/323113019.db2.gz NVJMTGSGOJQLDQ-WFASDCNBSA-N 2 2 232.371 2.591 20 0 BFADLP c1ccc(NCCC[NH2+][C@H]2CCCC23CC3)[nH+]c1 ZINC000567368409 323122066 /nfs/dbraw/zinc/12/20/66/323122066.db2.gz VNJXCMBVLFBDAR-ZDUSSCGKSA-N 2 2 245.370 2.806 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)n1C ZINC000563440970 323125862 /nfs/dbraw/zinc/12/58/62/323125862.db2.gz UPQIUQMVZVECJL-DMDPSCGWSA-N 2 2 235.375 2.643 20 0 BFADLP C([NH2+][C@@H]1CCCC12CC2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000563442888 323126787 /nfs/dbraw/zinc/12/67/87/323126787.db2.gz BQAHRIVITYJEAW-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@@H]1CCCC12CC2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000563442888 323126788 /nfs/dbraw/zinc/12/67/88/323126788.db2.gz BQAHRIVITYJEAW-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH+]1CCC(C)CC1)C1CC1 ZINC000563442818 323126895 /nfs/dbraw/zinc/12/68/95/323126895.db2.gz AJGGCXAYHCXESH-UKRRQHHQSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000563637950 323133255 /nfs/dbraw/zinc/13/32/55/323133255.db2.gz QUANBTHPRFBJGD-JSGCOSHPSA-N 2 2 235.375 2.787 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000531960516 323158132 /nfs/dbraw/zinc/15/81/32/323158132.db2.gz WTKKKDPHTGNZOW-KBXIAJHMSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000531960516 323158133 /nfs/dbraw/zinc/15/81/33/323158133.db2.gz WTKKKDPHTGNZOW-KBXIAJHMSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)C1 ZINC000531960515 323158207 /nfs/dbraw/zinc/15/82/07/323158207.db2.gz WTKKKDPHTGNZOW-APIJFGDWSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC000531960515 323158208 /nfs/dbraw/zinc/15/82/08/323158208.db2.gz WTKKKDPHTGNZOW-APIJFGDWSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1ccc(COc2ccc(C[NH3+])cc2)c(C)[nH+]1 ZINC000563706391 323174616 /nfs/dbraw/zinc/17/46/16/323174616.db2.gz HINFTDBWSMQFGY-UHFFFAOYSA-N 2 2 242.322 2.736 20 0 BFADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000535745382 323190306 /nfs/dbraw/zinc/19/03/06/323190306.db2.gz NJCKZAPBCUTMIC-KFWWJZLASA-N 2 2 247.386 2.784 20 0 BFADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000535745382 323190307 /nfs/dbraw/zinc/19/03/07/323190307.db2.gz NJCKZAPBCUTMIC-KFWWJZLASA-N 2 2 247.386 2.784 20 0 BFADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000532215642 323210007 /nfs/dbraw/zinc/21/00/07/323210007.db2.gz ILDHPIRKQAXZGA-XGUBFFRZSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000532215642 323210009 /nfs/dbraw/zinc/21/00/09/323210009.db2.gz ILDHPIRKQAXZGA-XGUBFFRZSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000532215641 323210123 /nfs/dbraw/zinc/21/01/23/323210123.db2.gz ILDHPIRKQAXZGA-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000532215641 323210124 /nfs/dbraw/zinc/21/01/24/323210124.db2.gz ILDHPIRKQAXZGA-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](CCCC2CCCCC2)C1 ZINC000395230151 323222334 /nfs/dbraw/zinc/22/23/34/323222334.db2.gz ZTZZCMSOVJPEBP-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000395230151 323222336 /nfs/dbraw/zinc/22/23/36/323222336.db2.gz ZTZZCMSOVJPEBP-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC1CCCCC1 ZINC000532450989 323268270 /nfs/dbraw/zinc/26/82/70/323268270.db2.gz OBERFUVCUOAHPW-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC1CCCCC1 ZINC000532450989 323268267 /nfs/dbraw/zinc/26/82/67/323268267.db2.gz OBERFUVCUOAHPW-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCc3ccccc32)C1 ZINC000532532136 323274397 /nfs/dbraw/zinc/27/43/97/323274397.db2.gz BVMJRWPRYSVOPZ-CJNGLKHVSA-N 2 2 244.382 2.605 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCc3ccccc32)C1 ZINC000532532136 323274402 /nfs/dbraw/zinc/27/44/02/323274402.db2.gz BVMJRWPRYSVOPZ-CJNGLKHVSA-N 2 2 244.382 2.605 20 0 BFADLP CCC([NH2+]Cc1c[nH+]c(C)n1C)(C1CC1)C1CC1 ZINC000527765684 323684456 /nfs/dbraw/zinc/68/44/56/323684456.db2.gz RVWMIOJKHVYFDJ-UHFFFAOYSA-N 2 2 247.386 2.787 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000122068429 324026071 /nfs/dbraw/zinc/02/60/71/324026071.db2.gz NIDYFXHQZXMGAX-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000122068429 324026073 /nfs/dbraw/zinc/02/60/73/324026073.db2.gz NIDYFXHQZXMGAX-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CCCCC2)C[N@@H+]1C1CC1 ZINC000122321453 324040777 /nfs/dbraw/zinc/04/07/77/324040777.db2.gz MODJJJSDJKKSFP-AAEUAGOBSA-N 2 2 222.376 2.534 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CCCCC2)C[N@H+]1C1CC1 ZINC000122321453 324040781 /nfs/dbraw/zinc/04/07/81/324040781.db2.gz MODJJJSDJKKSFP-AAEUAGOBSA-N 2 2 222.376 2.534 20 0 BFADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000529669369 324374648 /nfs/dbraw/zinc/37/46/48/324374648.db2.gz LZNYMWXRZSIMSJ-OEAJRASXSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000529669369 324374656 /nfs/dbraw/zinc/37/46/56/324374656.db2.gz LZNYMWXRZSIMSJ-OEAJRASXSA-N 2 2 248.414 2.782 20 0 BFADLP CCCc1[nH+]ccn1Cc1cc[nH+]cc1C ZINC000530106730 324470730 /nfs/dbraw/zinc/47/07/30/324470730.db2.gz UGUVAHGNIKQCMI-UHFFFAOYSA-N 2 2 215.300 2.587 20 0 BFADLP Cc1ccc(F)cc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530176958 324508263 /nfs/dbraw/zinc/50/82/63/324508263.db2.gz FFYZXOXHTROKHM-CQSZACIVSA-N 2 2 248.345 2.508 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530178626 324509680 /nfs/dbraw/zinc/50/96/80/324509680.db2.gz PEUIWJWFHCPPHU-OAHLLOKOSA-N 2 2 244.382 2.678 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(F)c1 ZINC000530218288 324535612 /nfs/dbraw/zinc/53/56/12/324535612.db2.gz IOTSQDPBDZDBPJ-FZMZJTMJSA-N 2 2 248.345 2.761 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530218211 324536358 /nfs/dbraw/zinc/53/63/58/324536358.db2.gz IERSEDALXLVCGO-ZYHUDNBSSA-N 2 2 236.384 2.683 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CC(C)(C)[NH+](C)C ZINC000068985790 324917506 /nfs/dbraw/zinc/91/75/06/324917506.db2.gz DTFBLQLULNLHLJ-GFCCVEGCSA-N 2 2 214.397 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000542791005 325048842 /nfs/dbraw/zinc/04/88/42/325048842.db2.gz MWAYAFZNQOBGEU-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000542791005 325048844 /nfs/dbraw/zinc/04/88/44/325048844.db2.gz MWAYAFZNQOBGEU-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H](C)[C@@H](C)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000131136880 325120595 /nfs/dbraw/zinc/12/05/95/325120595.db2.gz CQEHEGFVPWAODU-CHWSQXEVSA-N 2 2 235.375 2.782 20 0 BFADLP CC[C@@H](C)[C@@H](C)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000131136880 325120599 /nfs/dbraw/zinc/12/05/99/325120599.db2.gz CQEHEGFVPWAODU-CHWSQXEVSA-N 2 2 235.375 2.782 20 0 BFADLP CC1(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)CC1 ZINC000552058263 325592367 /nfs/dbraw/zinc/59/23/67/325592367.db2.gz XCTOCYIDHRMELW-UHFFFAOYSA-N 2 2 242.326 2.538 20 0 BFADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000566415504 326041725 /nfs/dbraw/zinc/04/17/25/326041725.db2.gz BJCKTMHCECSSTL-HZSPNIEDSA-N 2 2 249.402 2.719 20 0 BFADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000566415504 326041727 /nfs/dbraw/zinc/04/17/27/326041727.db2.gz BJCKTMHCECSSTL-HZSPNIEDSA-N 2 2 249.402 2.719 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCC1(C)C ZINC000154656350 326153986 /nfs/dbraw/zinc/15/39/86/326153986.db2.gz HMLUDLWRVXRCFP-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCCC1(C)C ZINC000154656350 326153988 /nfs/dbraw/zinc/15/39/88/326153988.db2.gz HMLUDLWRVXRCFP-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000235510307 487975088 /nfs/dbraw/zinc/97/50/88/487975088.db2.gz AVAOEGNVFDLJBL-SMDDNHRTSA-N 2 2 236.334 2.618 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000653681845 488025178 /nfs/dbraw/zinc/02/51/78/488025178.db2.gz BMNNABQWKGQPPF-HZSPNIEDSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000653681845 488025184 /nfs/dbraw/zinc/02/51/84/488025184.db2.gz BMNNABQWKGQPPF-HZSPNIEDSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000653681845 488025189 /nfs/dbraw/zinc/02/51/89/488025189.db2.gz BMNNABQWKGQPPF-HZSPNIEDSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000653681845 488025193 /nfs/dbraw/zinc/02/51/93/488025193.db2.gz BMNNABQWKGQPPF-HZSPNIEDSA-N 2 2 224.392 2.590 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000682731800 488027333 /nfs/dbraw/zinc/02/73/33/488027333.db2.gz IKXDWTDEXLPFGD-HUUCEWRRSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000682731800 488027336 /nfs/dbraw/zinc/02/73/36/488027336.db2.gz IKXDWTDEXLPFGD-HUUCEWRRSA-N 2 2 248.414 2.783 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCC[C@@H](C)C2)n1C ZINC000667499805 488030156 /nfs/dbraw/zinc/03/01/56/488030156.db2.gz VQKIELACPCDVOR-DGCLKSJQSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2CCC[C@@H](C)C2)n1C ZINC000667499805 488030159 /nfs/dbraw/zinc/03/01/59/488030159.db2.gz VQKIELACPCDVOR-DGCLKSJQSA-N 2 2 235.375 2.739 20 0 BFADLP CC(C)C[C@@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667502626 488031958 /nfs/dbraw/zinc/03/19/58/488031958.db2.gz KEEOHVLFKHXARJ-ZDUSSCGKSA-N 2 2 247.386 2.840 20 0 BFADLP CC(C)C[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667502626 488031959 /nfs/dbraw/zinc/03/19/59/488031959.db2.gz KEEOHVLFKHXARJ-ZDUSSCGKSA-N 2 2 247.386 2.840 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)c2cccs2)n1C ZINC000667510387 488035404 /nfs/dbraw/zinc/03/54/04/488035404.db2.gz HKGXJHJHQAEBHB-JTQLQIEISA-N 2 2 249.383 2.983 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)c2cccs2)n1C ZINC000667510387 488035407 /nfs/dbraw/zinc/03/54/07/488035407.db2.gz HKGXJHJHQAEBHB-JTQLQIEISA-N 2 2 249.383 2.983 20 0 BFADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H]1C1CCC1)CCC2 ZINC000667569492 488050299 /nfs/dbraw/zinc/05/02/99/488050299.db2.gz LLIPBYNAXIZBEN-CQSZACIVSA-N 2 2 245.370 2.594 20 0 BFADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H]1C1CCC1)CCC2 ZINC000667569492 488050301 /nfs/dbraw/zinc/05/03/01/488050301.db2.gz LLIPBYNAXIZBEN-CQSZACIVSA-N 2 2 245.370 2.594 20 0 BFADLP C[C@H]1CCCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667631625 488064343 /nfs/dbraw/zinc/06/43/43/488064343.db2.gz HQMVVBWCAAOBLH-LBPRGKRZSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@H]1CCCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667631625 488064347 /nfs/dbraw/zinc/06/43/47/488064347.db2.gz HQMVVBWCAAOBLH-LBPRGKRZSA-N 2 2 233.359 2.594 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000389349766 488092777 /nfs/dbraw/zinc/09/27/77/488092777.db2.gz KYBYXBRVZTYBEL-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000389349766 488092780 /nfs/dbraw/zinc/09/27/80/488092780.db2.gz KYBYXBRVZTYBEL-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378956656 488112484 /nfs/dbraw/zinc/11/24/84/488112484.db2.gz MPNPQBMMCJJNHE-KBXIAJHMSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000657562321 488135047 /nfs/dbraw/zinc/13/50/47/488135047.db2.gz NENGGDAKJWSLPH-CYBMUJFWSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000657562321 488135052 /nfs/dbraw/zinc/13/50/52/488135052.db2.gz NENGGDAKJWSLPH-CYBMUJFWSA-N 2 2 224.392 2.782 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1csc2ccccc12 ZINC000231819464 487477825 /nfs/dbraw/zinc/47/78/25/487477825.db2.gz ZLPRAFRVWKDLNX-UHFFFAOYSA-N 2 2 234.368 2.682 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1csc2ccccc12 ZINC000231819464 487477829 /nfs/dbraw/zinc/47/78/29/487477829.db2.gz ZLPRAFRVWKDLNX-UHFFFAOYSA-N 2 2 234.368 2.682 20 0 BFADLP CC[N@H+](CC[NH2+]C[C@H](C)C(C)(C)C)C1CC1 ZINC000304349906 487487578 /nfs/dbraw/zinc/48/75/78/487487578.db2.gz WYCZXDRDRZZSMU-LBPRGKRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](CC[NH2+]C[C@H](C)C(C)(C)C)C1CC1 ZINC000304349906 487487582 /nfs/dbraw/zinc/48/75/82/487487582.db2.gz WYCZXDRDRZZSMU-LBPRGKRZSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)n1C ZINC000668228899 487489965 /nfs/dbraw/zinc/48/99/65/487489965.db2.gz UDUSZRSZEJJNTA-ZDUSSCGKSA-N 2 2 249.402 2.987 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](CC(C)(C)C)C2)n1C ZINC000668228899 487489970 /nfs/dbraw/zinc/48/99/70/487489970.db2.gz UDUSZRSZEJJNTA-ZDUSSCGKSA-N 2 2 249.402 2.987 20 0 BFADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668228494 487490173 /nfs/dbraw/zinc/49/01/73/487490173.db2.gz KOXBBAARDAHDOI-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668228494 487490175 /nfs/dbraw/zinc/49/01/75/487490175.db2.gz KOXBBAARDAHDOI-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCC1 ZINC000668237065 487519818 /nfs/dbraw/zinc/51/98/18/487519818.db2.gz DYUZCHVQLXLCAX-AWEZNQCLSA-N 2 2 247.386 2.888 20 0 BFADLP CCC[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561595 488134860 /nfs/dbraw/zinc/13/48/60/488134860.db2.gz BVPYFRIGNFUWHK-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561595 488134863 /nfs/dbraw/zinc/13/48/63/488134863.db2.gz BVPYFRIGNFUWHK-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000258854514 488140696 /nfs/dbraw/zinc/14/06/96/488140696.db2.gz IEBDADLIRDDKHB-HNNXBMFYSA-N 2 2 246.398 2.844 20 0 BFADLP CC[C@@H]1CCC[C@H](C)[N@@H+]1CCc1c[nH+]cn1C ZINC000662161473 488140942 /nfs/dbraw/zinc/14/09/42/488140942.db2.gz SQXMMDUBPXUOPD-QWHCGFSZSA-N 2 2 235.375 2.616 20 0 BFADLP CC[C@@H]1CCC[C@H](C)[N@H+]1CCc1c[nH+]cn1C ZINC000662161473 488140945 /nfs/dbraw/zinc/14/09/45/488140945.db2.gz SQXMMDUBPXUOPD-QWHCGFSZSA-N 2 2 235.375 2.616 20 0 BFADLP CC[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000678072601 488191248 /nfs/dbraw/zinc/19/12/48/488191248.db2.gz ACBNFSWWDAKROX-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000678072601 488191253 /nfs/dbraw/zinc/19/12/53/488191253.db2.gz ACBNFSWWDAKROX-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)n1C ZINC000668097033 488201648 /nfs/dbraw/zinc/20/16/48/488201648.db2.gz WTMUERMDGKCJQR-ZDUSSCGKSA-N 2 2 249.402 2.987 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C(C)(C)C)C2)n1C ZINC000668097033 488201653 /nfs/dbraw/zinc/20/16/53/488201653.db2.gz WTMUERMDGKCJQR-ZDUSSCGKSA-N 2 2 249.402 2.987 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCC(C)(C)C2)n1C ZINC000668095517 488202198 /nfs/dbraw/zinc/20/21/98/488202198.db2.gz JWEDBDDRICSODW-LBPRGKRZSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCC(C)(C)C2)n1C ZINC000668095517 488202203 /nfs/dbraw/zinc/20/22/03/488202203.db2.gz JWEDBDDRICSODW-LBPRGKRZSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)n1C ZINC000668097032 488202298 /nfs/dbraw/zinc/20/22/98/488202298.db2.gz WTMUERMDGKCJQR-CYBMUJFWSA-N 2 2 249.402 2.987 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C(C)(C)C)C2)n1C ZINC000668097032 488202299 /nfs/dbraw/zinc/20/22/99/488202299.db2.gz WTMUERMDGKCJQR-CYBMUJFWSA-N 2 2 249.402 2.987 20 0 BFADLP CCCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668154781 488210932 /nfs/dbraw/zinc/21/09/32/488210932.db2.gz VXXSARZYIXIDNY-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000398242575 488215456 /nfs/dbraw/zinc/21/54/56/488215456.db2.gz ZZJOMVRJSWVPQK-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000398242575 488215460 /nfs/dbraw/zinc/21/54/60/488215460.db2.gz ZZJOMVRJSWVPQK-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000678601047 488270323 /nfs/dbraw/zinc/27/03/23/488270323.db2.gz XRLVFKRWBCZVDK-JSGCOSHPSA-N 2 2 238.419 2.739 20 0 BFADLP CC(C)C([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000678601047 488270324 /nfs/dbraw/zinc/27/03/24/488270324.db2.gz XRLVFKRWBCZVDK-JSGCOSHPSA-N 2 2 238.419 2.739 20 0 BFADLP CC(C)C([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000678601049 488270336 /nfs/dbraw/zinc/27/03/36/488270336.db2.gz XRLVFKRWBCZVDK-TZMCWYRMSA-N 2 2 238.419 2.739 20 0 BFADLP CC(C)C([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000678601049 488270337 /nfs/dbraw/zinc/27/03/37/488270337.db2.gz XRLVFKRWBCZVDK-TZMCWYRMSA-N 2 2 238.419 2.739 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000673627417 488298185 /nfs/dbraw/zinc/29/81/85/488298185.db2.gz MHIIDIOBXVCDFB-CJNGLKHVSA-N 2 2 244.382 2.822 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000673627417 488298187 /nfs/dbraw/zinc/29/81/87/488298187.db2.gz MHIIDIOBXVCDFB-CJNGLKHVSA-N 2 2 244.382 2.822 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@H](C)C2CC2)c[nH+]1 ZINC000684373864 488302435 /nfs/dbraw/zinc/30/24/35/488302435.db2.gz XFTLWGQZXUCTKN-LBPRGKRZSA-N 2 2 232.371 2.958 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657561098 490285882 /nfs/dbraw/zinc/28/58/82/490285882.db2.gz DRMNNXRSKFVWAG-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657561098 490285888 /nfs/dbraw/zinc/28/58/88/490285888.db2.gz DRMNNXRSKFVWAG-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657561099 490286069 /nfs/dbraw/zinc/28/60/69/490286069.db2.gz DRMNNXRSKFVWAG-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657561099 490286073 /nfs/dbraw/zinc/28/60/73/490286073.db2.gz DRMNNXRSKFVWAG-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000668669616 490497056 /nfs/dbraw/zinc/49/70/56/490497056.db2.gz WUZBGSPQYANRHH-FICVDOATSA-N 2 2 230.355 2.711 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000129042252 490597892 /nfs/dbraw/zinc/59/78/92/490597892.db2.gz DNEKOHCYOUPJPC-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C3CCC3)C2)n1C ZINC000668719603 491132466 /nfs/dbraw/zinc/13/24/66/491132466.db2.gz ZXJBMVKTJKBCQZ-CQSZACIVSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C3CCC3)C2)n1C ZINC000668719603 491132467 /nfs/dbraw/zinc/13/24/67/491132467.db2.gz ZXJBMVKTJKBCQZ-CQSZACIVSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]CC1(C)CCC1 ZINC000309702611 491154518 /nfs/dbraw/zinc/15/45/18/491154518.db2.gz NHCCYXZYYNVUOP-UHFFFAOYSA-N 2 2 218.344 2.712 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000310176928 491160664 /nfs/dbraw/zinc/16/06/64/491160664.db2.gz VIVCXRPBXFLAJP-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000310176928 491160665 /nfs/dbraw/zinc/16/06/65/491160665.db2.gz VIVCXRPBXFLAJP-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000494444505 533783471 /nfs/dbraw/zinc/78/34/71/533783471.db2.gz MIWZOXNBELUZOF-GUTXKFCHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC1CCCCC1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000494444505 533783480 /nfs/dbraw/zinc/78/34/80/533783480.db2.gz MIWZOXNBELUZOF-GUTXKFCHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)[C@@H]1C ZINC000495051588 533944636 /nfs/dbraw/zinc/94/46/36/533944636.db2.gz ODZOZQRPVZQDNB-UPJWGTAASA-N 2 2 233.359 2.518 20 0 BFADLP CC[N@H+](C[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000261540333 535772809 /nfs/dbraw/zinc/77/28/09/535772809.db2.gz GDCSQESLJIBQPA-ZIAGYGMSSA-N 2 2 232.371 2.901 20 0 BFADLP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000261540333 535772813 /nfs/dbraw/zinc/77/28/13/535772813.db2.gz GDCSQESLJIBQPA-ZIAGYGMSSA-N 2 2 232.371 2.901 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]CCCc2ccccc2)[C@@H](C)C1 ZINC000342947690 535784002 /nfs/dbraw/zinc/78/40/02/535784002.db2.gz TWURZPMSBKWIHP-HOCLYGCPSA-N 2 2 246.398 2.549 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+]CCCc2ccccc2)[C@@H](C)C1 ZINC000342947690 535784004 /nfs/dbraw/zinc/78/40/04/535784004.db2.gz TWURZPMSBKWIHP-HOCLYGCPSA-N 2 2 246.398 2.549 20 0 BFADLP CC(C)C1CC([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000486906537 527629244 /nfs/dbraw/zinc/62/92/44/527629244.db2.gz UAEZOFKQYPVCFU-ABXWRUBCSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)C1CC([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000486906537 527629239 /nfs/dbraw/zinc/62/92/39/527629239.db2.gz UAEZOFKQYPVCFU-ABXWRUBCSA-N 2 2 236.403 2.636 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]CC[NH+]1CCCC1 ZINC000166445275 528069064 /nfs/dbraw/zinc/06/90/64/528069064.db2.gz SCRZMZPORUAXBJ-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000487275553 529004910 /nfs/dbraw/zinc/00/49/10/529004910.db2.gz KQDSGUQWQDFSPQ-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000487275553 529004917 /nfs/dbraw/zinc/00/49/17/529004917.db2.gz KQDSGUQWQDFSPQ-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000494449016 529315976 /nfs/dbraw/zinc/31/59/76/529315976.db2.gz AWJYUZVCPSKIKE-HZSPNIEDSA-N 2 2 247.386 2.756 20 0 BFADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000503018011 529369670 /nfs/dbraw/zinc/36/96/70/529369670.db2.gz OUMAEIBRMNGQCQ-SQWLQELKSA-N 2 2 246.398 2.720 20 0 BFADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000503018011 529369673 /nfs/dbraw/zinc/36/96/73/529369673.db2.gz OUMAEIBRMNGQCQ-SQWLQELKSA-N 2 2 246.398 2.720 20 0 BFADLP CCC(CC)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932218 535078135 /nfs/dbraw/zinc/07/81/35/535078135.db2.gz QHVSUCYKLVCRIX-UHFFFAOYSA-N 2 2 247.386 2.829 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000335339107 535300499 /nfs/dbraw/zinc/30/04/99/535300499.db2.gz GYPAJLKJQPLMIP-QWHCGFSZSA-N 2 2 247.386 2.756 20 0 BFADLP CC1(C)CCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000086857080 535308170 /nfs/dbraw/zinc/30/81/70/535308170.db2.gz HZYOGSZLUZEGOG-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261540992 536060249 /nfs/dbraw/zinc/06/02/49/536060249.db2.gz ICXFGQCZNGVISC-LEWSCRJBSA-N 2 2 236.334 2.556 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261540992 536060254 /nfs/dbraw/zinc/06/02/54/536060254.db2.gz ICXFGQCZNGVISC-LEWSCRJBSA-N 2 2 236.334 2.556 20 0 BFADLP c1ccc(NCCC[NH2+][C@@H]2CC[C@H]2C2CC2)[nH+]c1 ZINC000348073413 566261515 /nfs/dbraw/zinc/26/15/15/566261515.db2.gz LFUAYBGVEJJEGJ-UONOGXRCSA-N 2 2 245.370 2.662 20 0 BFADLP CC[NH+]1CCC([N@H+](C)Cc2cc(C)co2)CC1 ZINC000893918241 583246938 /nfs/dbraw/zinc/24/69/38/583246938.db2.gz IVNLONQLRQBZQI-UHFFFAOYSA-N 2 2 236.359 2.504 20 0 BFADLP CC[NH+]1CCC([N@@H+](C)Cc2cc(C)co2)CC1 ZINC000893918241 583246941 /nfs/dbraw/zinc/24/69/41/583246941.db2.gz IVNLONQLRQBZQI-UHFFFAOYSA-N 2 2 236.359 2.504 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC000840889519 582959707 /nfs/dbraw/zinc/95/97/07/582959707.db2.gz NCATWQYDXHZVJT-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC000840889519 582959708 /nfs/dbraw/zinc/95/97/08/582959708.db2.gz NCATWQYDXHZVJT-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP C[C@@H](C[NH2+]Cc1c[nH+]c[nH]1)Sc1ccccc1 ZINC000894312572 583419829 /nfs/dbraw/zinc/41/98/29/583419829.db2.gz LCRKNGMOTRPZBC-NSHDSACASA-N 2 2 247.367 2.680 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c[nH]1)CCC2 ZINC000894846158 583531496 /nfs/dbraw/zinc/53/14/96/583531496.db2.gz GGJZZIJIVGDRSM-OAHLLOKOSA-N 2 2 241.338 2.885 20 0 BFADLP c1[nH]c(C[NH2+]CC[C@H]2CCc3ccccc32)c[nH+]1 ZINC000894872022 583540155 /nfs/dbraw/zinc/54/01/55/583540155.db2.gz DOFOJVRTDQTIIE-CYBMUJFWSA-N 2 2 241.338 2.619 20 0 BFADLP CC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895227191 583628779 /nfs/dbraw/zinc/62/87/79/583628779.db2.gz WIYBTKSQBCSPNY-ZDUSSCGKSA-N 2 2 247.317 2.660 20 0 BFADLP Cc1cccc2c1CCC[C@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000895340196 583654733 /nfs/dbraw/zinc/65/47/33/583654733.db2.gz LIFIRLDBGPKCGQ-OAHLLOKOSA-N 2 2 241.338 2.885 20 0 BFADLP CC(C)Cc1ccccc1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000895390328 583664106 /nfs/dbraw/zinc/66/41/06/583664106.db2.gz WUNIHYDNMTWRBS-UHFFFAOYSA-N 2 2 243.354 2.898 20 0 BFADLP FC[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000895544434 583689588 /nfs/dbraw/zinc/68/95/88/583689588.db2.gz MMMUBOXGKNUCLW-GFCCVEGCSA-N 2 2 247.317 2.516 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H]2[C@@H]2C[C@H]2C)c[nH+]1 ZINC000896404704 583800011 /nfs/dbraw/zinc/80/00/11/583800011.db2.gz ZCQQFVPQRDRHNO-BQDHKBFISA-N 2 2 244.382 2.957 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000251358326 583981255 /nfs/dbraw/zinc/98/12/55/583981255.db2.gz UUBLXZAOOGYURH-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000251358326 583981256 /nfs/dbraw/zinc/98/12/56/583981256.db2.gz UUBLXZAOOGYURH-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000858361871 588948562 /nfs/dbraw/zinc/94/85/62/588948562.db2.gz FZIMELRTOHJBJB-CVEARBPZSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000858361871 588948563 /nfs/dbraw/zinc/94/85/63/588948563.db2.gz FZIMELRTOHJBJB-CVEARBPZSA-N 2 2 246.398 2.692 20 0 BFADLP C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccsc1 ZINC000898308969 584110130 /nfs/dbraw/zinc/11/01/30/584110130.db2.gz HQQWNHNQJRGTEF-UHFFFAOYSA-N 2 2 240.416 2.768 20 0 BFADLP C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccsc1 ZINC000898308969 584110132 /nfs/dbraw/zinc/11/01/32/584110132.db2.gz HQQWNHNQJRGTEF-UHFFFAOYSA-N 2 2 240.416 2.768 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000898314532 584110843 /nfs/dbraw/zinc/11/08/43/584110843.db2.gz YYORHPMICKBQMF-SDDRHHMPSA-N 2 2 248.361 2.596 20 0 BFADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccoc1 ZINC000902439256 584597194 /nfs/dbraw/zinc/59/71/94/584597194.db2.gz QOMBLPMGWNKVFN-COLVAYQJSA-N 2 2 242.322 2.555 20 0 BFADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000902444293 584598175 /nfs/dbraw/zinc/59/81/75/584598175.db2.gz GQIXUGYVEHKXKM-GJZGRUSLSA-N 2 2 244.382 2.652 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)s1 ZINC000902443969 584598265 /nfs/dbraw/zinc/59/82/65/584598265.db2.gz GOYMLDSUWHIOAX-JQWIXIFHSA-N 2 2 238.400 2.705 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)cs1 ZINC000902443228 584598306 /nfs/dbraw/zinc/59/83/06/584598306.db2.gz KSNUQHWDTVZVMA-JQWIXIFHSA-N 2 2 238.400 2.705 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)cs1 ZINC000902443225 584598511 /nfs/dbraw/zinc/59/85/11/584598511.db2.gz KSNUQHWDTVZVMA-CMPLNLGQSA-N 2 2 238.400 2.705 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000902444491 584598747 /nfs/dbraw/zinc/59/87/47/584598747.db2.gz IDUGGJZOUSLPSE-CMPLNLGQSA-N 2 2 238.400 2.787 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)c(F)c1 ZINC000902413394 584599496 /nfs/dbraw/zinc/59/94/96/584599496.db2.gz LDJAVANBUVWTGK-QMMMGPOBSA-N 2 2 242.725 2.621 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccs1 ZINC000902472464 584601486 /nfs/dbraw/zinc/60/14/86/584601486.db2.gz AGWOEJSFHIGLRX-WISYIIOYSA-N 2 2 236.384 2.682 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)c1 ZINC000902473280 584601767 /nfs/dbraw/zinc/60/17/67/584601767.db2.gz WWUWVZXJLCZMNJ-LQKXBSAESA-N 2 2 244.382 2.847 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1C ZINC000902476890 584603297 /nfs/dbraw/zinc/60/32/97/584603297.db2.gz RJJAVRMJFRMFEI-LUYZLQTOSA-N 2 2 244.382 2.847 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccnc1 ZINC000902447279 584605105 /nfs/dbraw/zinc/60/51/05/584605105.db2.gz XWYSLTJWKFJSJB-ZIAGYGMSSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902463966 584612047 /nfs/dbraw/zinc/61/20/47/584612047.db2.gz BXCODZNVKFOXSP-APVVIDPYSA-N 2 2 242.366 2.717 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000902483556 584624812 /nfs/dbraw/zinc/62/48/12/584624812.db2.gz RKVKEYBAPHJQCX-YPMHNXCESA-N 2 2 238.400 2.931 20 0 BFADLP CCn1c[nH+]c(CNc2cccc(C3CC3)[nH+]2)c1 ZINC000902575354 584637176 /nfs/dbraw/zinc/63/71/76/584637176.db2.gz ZUIYJIUSWYNHEH-UHFFFAOYSA-N 2 2 242.326 2.788 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902725141 584660919 /nfs/dbraw/zinc/66/09/19/584660919.db2.gz QMFMFQXPSIMUDH-XGUBFFRZSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902725141 584660920 /nfs/dbraw/zinc/66/09/20/584660920.db2.gz QMFMFQXPSIMUDH-XGUBFFRZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902836752 584679297 /nfs/dbraw/zinc/67/92/97/584679297.db2.gz MJXRAAVHKJSRKL-XYFZXANASA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902836752 584679298 /nfs/dbraw/zinc/67/92/98/584679298.db2.gz MJXRAAVHKJSRKL-XYFZXANASA-N 2 2 248.414 2.637 20 0 BFADLP C[NH+](C)C1(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CCC1 ZINC000902966486 584702503 /nfs/dbraw/zinc/70/25/03/584702503.db2.gz FNGOAKXNJQCWAV-STQMWFEESA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1C ZINC000903055337 584722068 /nfs/dbraw/zinc/72/20/68/584722068.db2.gz CBUVJUZAUGNNHX-CBBWQLFWSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCn2cc[nH+]c2)[C@H]1C ZINC000903058650 584722660 /nfs/dbraw/zinc/72/26/60/584722660.db2.gz SOVHZEHKNOLSKB-RFGFWPKPSA-N 2 2 235.375 2.543 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCn2cc[nH+]c2)[C@H]1C ZINC000903058656 584722965 /nfs/dbraw/zinc/72/29/65/584722965.db2.gz SOVHZEHKNOLSKB-ZOBORPQBSA-N 2 2 235.375 2.543 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCc2cn(C)c[nH+]2)[C@@H]1C ZINC000903184066 584733448 /nfs/dbraw/zinc/73/34/48/584733448.db2.gz SWZPGPLAEXTERY-COMQUAJESA-N 2 2 249.402 2.623 20 0 BFADLP C[C@H](Nc1cccc(C2CC2)[nH+]1)c1cn(C)c[nH+]1 ZINC000903268105 584741775 /nfs/dbraw/zinc/74/17/75/584741775.db2.gz QDIKFQSFHYKBCH-JTQLQIEISA-N 2 2 242.326 2.866 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)CC[N@@H+]1C ZINC000903299688 584743613 /nfs/dbraw/zinc/74/36/13/584743613.db2.gz CUFYMSFHMQGGQZ-XJFOESAGSA-N 2 2 242.382 2.587 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)CC[N@H+]1C ZINC000903299688 584743614 /nfs/dbraw/zinc/74/36/14/584743614.db2.gz CUFYMSFHMQGGQZ-XJFOESAGSA-N 2 2 242.382 2.587 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903301532 584744979 /nfs/dbraw/zinc/74/49/79/584744979.db2.gz RQQACFIOAYRICT-YIYPIFLZSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301532 584744981 /nfs/dbraw/zinc/74/49/81/584744981.db2.gz RQQACFIOAYRICT-YIYPIFLZSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000903301538 584745139 /nfs/dbraw/zinc/74/51/39/584745139.db2.gz RQXHQZNTIALSJK-DZKIICNBSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000903301538 584745140 /nfs/dbraw/zinc/74/51/40/584745140.db2.gz RQXHQZNTIALSJK-DZKIICNBSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903302460 584745254 /nfs/dbraw/zinc/74/52/54/584745254.db2.gz AMRWLSWZSPBLRG-WQVCFCJDSA-N 2 2 244.382 2.665 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903302460 584745255 /nfs/dbraw/zinc/74/52/55/584745255.db2.gz AMRWLSWZSPBLRG-WQVCFCJDSA-N 2 2 244.382 2.665 20 0 BFADLP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000903413458 584759760 /nfs/dbraw/zinc/75/97/60/584759760.db2.gz MPJNNMIVIJLCMQ-LVQVYYBASA-N 2 2 248.414 2.948 20 0 BFADLP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000903413458 584759761 /nfs/dbraw/zinc/75/97/61/584759761.db2.gz MPJNNMIVIJLCMQ-LVQVYYBASA-N 2 2 248.414 2.948 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(C2CCCCC2)CC1 ZINC000903447634 584770774 /nfs/dbraw/zinc/77/07/74/584770774.db2.gz AHSAXVQXXYYAAR-TZMCWYRMSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(C2CCCCC2)CC1 ZINC000903447634 584770775 /nfs/dbraw/zinc/77/07/75/584770775.db2.gz AHSAXVQXXYYAAR-TZMCWYRMSA-N 2 2 236.403 2.639 20 0 BFADLP CCSc1ccccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC000903473920 584776348 /nfs/dbraw/zinc/77/63/48/584776348.db2.gz BWXNAHSMGFPPPK-NSHDSACASA-N 2 2 238.400 2.578 20 0 BFADLP CCSc1ccccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000903473920 584776349 /nfs/dbraw/zinc/77/63/49/584776349.db2.gz BWXNAHSMGFPPPK-NSHDSACASA-N 2 2 238.400 2.578 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC000903713180 584793690 /nfs/dbraw/zinc/79/36/90/584793690.db2.gz HNKYGYSNGZAGHE-CQSZACIVSA-N 2 2 232.371 2.604 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC000903713180 584793691 /nfs/dbraw/zinc/79/36/91/584793691.db2.gz HNKYGYSNGZAGHE-CQSZACIVSA-N 2 2 232.371 2.604 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2C(C)C)C1 ZINC000903713179 584793799 /nfs/dbraw/zinc/79/37/99/584793799.db2.gz HNKYGYSNGZAGHE-AWEZNQCLSA-N 2 2 232.371 2.604 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2C(C)C)C1 ZINC000903713179 584793800 /nfs/dbraw/zinc/79/38/00/584793800.db2.gz HNKYGYSNGZAGHE-AWEZNQCLSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903751068 584795241 /nfs/dbraw/zinc/79/52/41/584795241.db2.gz DJFCKHWYIYSELH-CJNGLKHVSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000903751068 584795243 /nfs/dbraw/zinc/79/52/43/584795243.db2.gz DJFCKHWYIYSELH-CJNGLKHVSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903800837 584801524 /nfs/dbraw/zinc/80/15/24/584801524.db2.gz JABJGWCQYCBXQF-KGLIPLIRSA-N 2 2 222.376 2.546 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903800837 584801525 /nfs/dbraw/zinc/80/15/25/584801525.db2.gz JABJGWCQYCBXQF-KGLIPLIRSA-N 2 2 222.376 2.546 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903870273 584814480 /nfs/dbraw/zinc/81/44/80/584814480.db2.gz LYNALOHPYBYMJB-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000903870273 584814482 /nfs/dbraw/zinc/81/44/82/584814482.db2.gz LYNALOHPYBYMJB-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949650 584829854 /nfs/dbraw/zinc/82/98/54/584829854.db2.gz CTXFSDSIHSEXGP-GFCCVEGCSA-N 2 2 235.375 2.968 20 0 BFADLP Cc1cc(C[NH2+]Cc2cc(N)cc[nH+]2)c(C)s1 ZINC000903949832 584830089 /nfs/dbraw/zinc/83/00/89/584830089.db2.gz DVDRIRGYBJLPRL-UHFFFAOYSA-N 2 2 247.367 2.632 20 0 BFADLP CC[C@H]1CCC[C@@H](C[NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950983 584830579 /nfs/dbraw/zinc/83/05/79/584830579.db2.gz UWJPNTAODNXWBD-QWHCGFSZSA-N 2 2 247.386 2.970 20 0 BFADLP Nc1cc[nH+]c(C[NH2+]C2CCCCCCC2)c1 ZINC000903949885 584830604 /nfs/dbraw/zinc/83/06/04/584830604.db2.gz GTTQXUZPKUHOIN-UHFFFAOYSA-N 2 2 233.359 2.866 20 0 BFADLP Nc1cc[nH+]c(C[NH2+][C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000903950987 584830936 /nfs/dbraw/zinc/83/09/36/584830936.db2.gz VAXNZPXHMVOJEM-JSGCOSHPSA-N 2 2 245.370 2.722 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950992 584831115 /nfs/dbraw/zinc/83/11/15/584831115.db2.gz VDFVYGMCOZLVMZ-CYBMUJFWSA-N 2 2 233.359 2.722 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903954059 584831227 /nfs/dbraw/zinc/83/12/27/584831227.db2.gz PFJWAGSFJJWCMA-KBPBESRZSA-N 2 2 233.359 2.578 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903953691 584831661 /nfs/dbraw/zinc/83/16/61/584831661.db2.gz JBWFKUZPQWFEMS-NEPJUHHUSA-N 2 2 233.359 2.580 20 0 BFADLP C[N@@H+](Cc1ccncc1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904332568 584866081 /nfs/dbraw/zinc/86/60/81/584866081.db2.gz RTLDYGRGINCSGM-AWEZNQCLSA-N 2 2 249.402 2.667 20 0 BFADLP C[N@H+](Cc1ccncc1)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904332568 584866082 /nfs/dbraw/zinc/86/60/82/584866082.db2.gz RTLDYGRGINCSGM-AWEZNQCLSA-N 2 2 249.402 2.667 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H](C)C3(C)CC3)c[nH+]c12 ZINC000742368726 585124985 /nfs/dbraw/zinc/12/49/85/585124985.db2.gz GYWCJDIZRBNVMO-GFCCVEGCSA-N 2 2 243.354 2.921 20 0 BFADLP CC(C)c1[nH+]ccn1Cc1cc[nH+]c(N(C)C)c1 ZINC000762476622 585432881 /nfs/dbraw/zinc/43/28/81/585432881.db2.gz FVLMUHYWGYACRW-UHFFFAOYSA-N 2 2 244.342 2.516 20 0 BFADLP CC(C)CC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000766251645 585499866 /nfs/dbraw/zinc/49/98/66/585499866.db2.gz XDTONYIYLRYFOW-UHFFFAOYSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)[NH2+]c1ccc(OCCC[NH+](C)C)cc1 ZINC000770518089 585575477 /nfs/dbraw/zinc/57/54/77/585575477.db2.gz FEPYRAXHUCVGBU-UHFFFAOYSA-N 2 2 236.359 2.837 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000771390104 585593506 /nfs/dbraw/zinc/59/35/06/585593506.db2.gz VLQWRROIVNWGJY-XHSDSOJGSA-N 2 2 244.382 2.616 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000771390104 585593507 /nfs/dbraw/zinc/59/35/07/585593507.db2.gz VLQWRROIVNWGJY-XHSDSOJGSA-N 2 2 244.382 2.616 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000772963099 585628337 /nfs/dbraw/zinc/62/83/37/585628337.db2.gz JIIZUAKNFNBIID-OCCSQVGLSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000772963099 585628338 /nfs/dbraw/zinc/62/83/38/585628338.db2.gz JIIZUAKNFNBIID-OCCSQVGLSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000777130133 585709077 /nfs/dbraw/zinc/70/90/77/585709077.db2.gz PIMHZRMDPJIHTM-JYKNGBAOSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000777130133 585709078 /nfs/dbraw/zinc/70/90/78/585709078.db2.gz PIMHZRMDPJIHTM-JYKNGBAOSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@@H](C1CC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000782192966 585811743 /nfs/dbraw/zinc/81/17/43/585811743.db2.gz XUJOFZKDLSABMZ-DYEKYZERSA-N 2 2 233.359 2.565 20 0 BFADLP C[C@@H](C1CC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000782192966 585811744 /nfs/dbraw/zinc/81/17/44/585811744.db2.gz XUJOFZKDLSABMZ-DYEKYZERSA-N 2 2 233.359 2.565 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000783215542 585830864 /nfs/dbraw/zinc/83/08/64/585830864.db2.gz OOWIQQHQBYZRHG-VNQPRFMTSA-N 2 2 246.398 2.547 20 0 BFADLP CC(C)C(C[NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)C ZINC000790548311 585966021 /nfs/dbraw/zinc/96/60/21/585966021.db2.gz OSHMRIHHZHFBKB-AWEZNQCLSA-N 2 2 240.435 2.989 20 0 BFADLP CC(C)C(C[NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)C ZINC000790548311 585966022 /nfs/dbraw/zinc/96/60/22/585966022.db2.gz OSHMRIHHZHFBKB-AWEZNQCLSA-N 2 2 240.435 2.989 20 0 BFADLP Cc1cc(F)ccc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000815553750 586687766 /nfs/dbraw/zinc/68/77/66/586687766.db2.gz JDSICGCGBWBNDF-LBPRGKRZSA-N 2 2 247.317 2.681 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC2=CCCC2)C1 ZINC000828440060 587442528 /nfs/dbraw/zinc/44/25/28/587442528.db2.gz NBFLUOFFVZLTFZ-AWEZNQCLSA-N 2 2 245.370 2.710 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC2=CCCC2)C1 ZINC000828440060 587442529 /nfs/dbraw/zinc/44/25/29/587442529.db2.gz NBFLUOFFVZLTFZ-AWEZNQCLSA-N 2 2 245.370 2.710 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000834607499 587760474 /nfs/dbraw/zinc/76/04/74/587760474.db2.gz XWZNSQLNFQQRRG-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000834607499 587760475 /nfs/dbraw/zinc/76/04/75/587760475.db2.gz XWZNSQLNFQQRRG-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848568227 588398135 /nfs/dbraw/zinc/39/81/35/588398135.db2.gz BSNKKQQHVYZXQV-WCVJEAGWSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848568227 588398137 /nfs/dbraw/zinc/39/81/37/588398137.db2.gz BSNKKQQHVYZXQV-WCVJEAGWSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848568225 588398327 /nfs/dbraw/zinc/39/83/27/588398327.db2.gz BSNKKQQHVYZXQV-FZKCQIBNSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848568225 588398330 /nfs/dbraw/zinc/39/83/30/588398330.db2.gz BSNKKQQHVYZXQV-FZKCQIBNSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000848575238 588398609 /nfs/dbraw/zinc/39/86/09/588398609.db2.gz MUNIQHXFOQRPIY-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000848575238 588398611 /nfs/dbraw/zinc/39/86/11/588398611.db2.gz MUNIQHXFOQRPIY-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000848575240 588398733 /nfs/dbraw/zinc/39/87/33/588398733.db2.gz MUNIQHXFOQRPIY-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000848575240 588398734 /nfs/dbraw/zinc/39/87/34/588398734.db2.gz MUNIQHXFOQRPIY-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)n1cc[nH+]c1CNc1[nH+]ccn1C1CC1 ZINC000849346852 588474308 /nfs/dbraw/zinc/47/43/08/588474308.db2.gz DTCCLVPMEBUVGX-UHFFFAOYSA-N 2 2 245.330 2.608 20 0 BFADLP Cc1cc[nH+]c(NCc2cn(C)c[nH+]2)c1C1CC1 ZINC000850362178 588540393 /nfs/dbraw/zinc/54/03/93/588540393.db2.gz IXHZIGKVKUUFQE-UHFFFAOYSA-N 2 2 242.326 2.613 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000850495146 588552261 /nfs/dbraw/zinc/55/22/61/588552261.db2.gz XJEIGGXEAAMEDP-BFHYXJOUSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000850495146 588552262 /nfs/dbraw/zinc/55/22/62/588552262.db2.gz XJEIGGXEAAMEDP-BFHYXJOUSA-N 2 2 236.403 2.637 20 0 BFADLP C[N@@H+](CC=C(Cl)Cl)CCCn1cc[nH+]c1 ZINC000851881869 588639323 /nfs/dbraw/zinc/63/93/23/588639323.db2.gz QGIKKMNBDONGCJ-UHFFFAOYSA-N 2 2 248.157 2.524 20 0 BFADLP C[N@H+](CC=C(Cl)Cl)CCCn1cc[nH+]c1 ZINC000851881869 588639324 /nfs/dbraw/zinc/63/93/24/588639324.db2.gz QGIKKMNBDONGCJ-UHFFFAOYSA-N 2 2 248.157 2.524 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000851989151 588652390 /nfs/dbraw/zinc/65/23/90/588652390.db2.gz FWIWCKGGKRNGDM-AWEZNQCLSA-N 2 2 247.386 2.956 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000851989151 588652391 /nfs/dbraw/zinc/65/23/91/588652391.db2.gz FWIWCKGGKRNGDM-AWEZNQCLSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCC(F)CC1 ZINC000852650384 588693955 /nfs/dbraw/zinc/69/39/55/588693955.db2.gz KIGJQSKLLRUSCG-IYXRBSQSSA-N 2 2 242.382 2.589 20 0 BFADLP CC1(C)CC(C[NH2+]c2ccc(OCC[NH3+])cc2)C1 ZINC000863541517 589297078 /nfs/dbraw/zinc/29/70/78/589297078.db2.gz NLYPWQSBYSQOSZ-UHFFFAOYSA-N 2 2 248.370 2.872 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000863545430 589298032 /nfs/dbraw/zinc/29/80/32/589298032.db2.gz RVCBIFJISJYRFD-BJJXKVORSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000863651484 589307757 /nfs/dbraw/zinc/30/77/57/589307757.db2.gz JWGHQLUWXANKCK-GFCCVEGCSA-N 2 2 244.338 2.726 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000863651484 589307758 /nfs/dbraw/zinc/30/77/58/589307758.db2.gz JWGHQLUWXANKCK-GFCCVEGCSA-N 2 2 244.338 2.726 20 0 BFADLP CNc1ccc(-c2ccc(C[NH+](C)C)cc2)c[nH+]1 ZINC000863691930 589310846 /nfs/dbraw/zinc/31/08/46/589310846.db2.gz NRVCASPVOCPQAA-UHFFFAOYSA-N 2 2 241.338 2.852 20 0 BFADLP Cc1c(Cl)cccc1C[NH2+]CCn1cc[nH+]c1 ZINC000865402051 589432840 /nfs/dbraw/zinc/43/28/40/589432840.db2.gz FWQMDUFEJWGDPE-UHFFFAOYSA-N 2 2 249.745 2.635 20 0 BFADLP F[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000865699468 589457271 /nfs/dbraw/zinc/45/72/71/589457271.db2.gz RWESXJWEHBZITQ-OLZOCXBDSA-N 2 2 247.317 2.705 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866723061 589515205 /nfs/dbraw/zinc/51/52/05/589515205.db2.gz FVQRECPPTMROGA-JKSUJKDBSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866723061 589515206 /nfs/dbraw/zinc/51/52/06/589515206.db2.gz FVQRECPPTMROGA-JKSUJKDBSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726630 589516539 /nfs/dbraw/zinc/51/65/39/589516539.db2.gz YGOZGQOITZEMBG-HOTGVXAUSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866726630 589516540 /nfs/dbraw/zinc/51/65/40/589516540.db2.gz YGOZGQOITZEMBG-HOTGVXAUSA-N 2 2 244.382 2.630 20 0 BFADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@H](C)[NH+](C)C ZINC000872034184 589858125 /nfs/dbraw/zinc/85/81/25/589858125.db2.gz MGJVHIXINYNSOJ-UWVGGRQHSA-N 2 2 240.313 2.647 20 0 BFADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C(C)(C)CC ZINC000872077300 589865783 /nfs/dbraw/zinc/86/57/83/589865783.db2.gz FPGHUQXZXGGSSI-ZDUSSCGKSA-N 2 2 237.391 2.767 20 0 BFADLP CCc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873228156 590001017 /nfs/dbraw/zinc/00/10/17/590001017.db2.gz AJTGKNBCZQUTPF-HZPDHXFCSA-N 2 2 244.382 2.623 20 0 BFADLP Cc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC000873229439 590001668 /nfs/dbraw/zinc/00/16/68/590001668.db2.gz YTURFVIFZFWVBD-JKSUJKDBSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1cccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1C ZINC000873230047 590002196 /nfs/dbraw/zinc/00/21/96/590002196.db2.gz LIEDFWAVAWJANM-HOTGVXAUSA-N 2 2 244.382 2.678 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccoc1 ZINC000873236062 590004941 /nfs/dbraw/zinc/00/49/41/590004941.db2.gz WXDFPLCXALIGBN-DGCLKSJQSA-N 2 2 236.359 2.708 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC(C)C ZINC000019960762 590059413 /nfs/dbraw/zinc/05/94/13/590059413.db2.gz QGCQODHMIHPHPZ-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC(C)C ZINC000019960762 590059414 /nfs/dbraw/zinc/05/94/14/590059414.db2.gz QGCQODHMIHPHPZ-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP c1cn(C2CC[NH+](CCCC3CC3)CC2)c[nH+]1 ZINC000878173301 590515568 /nfs/dbraw/zinc/51/55/68/590515568.db2.gz VHVNDMPXARCOCU-UHFFFAOYSA-N 2 2 233.359 2.710 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252911 590529436 /nfs/dbraw/zinc/52/94/36/590529436.db2.gz YSIOSDNDKAXFIR-DHCBQETCSA-N 2 2 231.343 2.721 20 0 BFADLP C=C/C=C\CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252911 590529438 /nfs/dbraw/zinc/52/94/38/590529438.db2.gz YSIOSDNDKAXFIR-DHCBQETCSA-N 2 2 231.343 2.721 20 0 BFADLP C=C/C=C/CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000878266846 590531746 /nfs/dbraw/zinc/53/17/46/590531746.db2.gz ISXVYSNNOPSSQT-ONEGZZNKSA-N 2 2 231.343 2.721 20 0 BFADLP C[C@@H]1CC[N@H+](CCCC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000878284920 590533409 /nfs/dbraw/zinc/53/34/09/590533409.db2.gz WWWNLMHLLOPHAA-UKRRQHHQSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CC[N@@H+](CCCC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000878284920 590533412 /nfs/dbraw/zinc/53/34/12/590533412.db2.gz WWWNLMHLLOPHAA-UKRRQHHQSA-N 2 2 247.386 2.956 20 0 BFADLP C=C/C=C/CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000878282068 590533585 /nfs/dbraw/zinc/53/35/85/590533585.db2.gz QOZPYDTYTAJUNR-WFVIONGDSA-N 2 2 245.370 2.898 20 0 BFADLP C=C/C=C/CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000878282068 590533586 /nfs/dbraw/zinc/53/35/86/590533586.db2.gz QOZPYDTYTAJUNR-WFVIONGDSA-N 2 2 245.370 2.898 20 0 BFADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCCC1CC1 ZINC000878614513 590596638 /nfs/dbraw/zinc/59/66/38/590596638.db2.gz BYZAOOMZEZEBPG-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCCC1CC1 ZINC000878614513 590596640 /nfs/dbraw/zinc/59/66/40/590596640.db2.gz BYZAOOMZEZEBPG-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3C=CCCCCC3)CC[C@H]21 ZINC000879583721 590824564 /nfs/dbraw/zinc/82/45/64/590824564.db2.gz ZLEGYQLNRWVTEW-OWCLPIDISA-N 2 2 248.414 2.901 20 0 BFADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3C=CCCCCC3)CC[C@H]21 ZINC000879583721 590824567 /nfs/dbraw/zinc/82/45/67/590824567.db2.gz ZLEGYQLNRWVTEW-OWCLPIDISA-N 2 2 248.414 2.901 20 0 BFADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3C=CCCCCC3)CC[C@H]21 ZINC000879583721 590824569 /nfs/dbraw/zinc/82/45/69/590824569.db2.gz ZLEGYQLNRWVTEW-OWCLPIDISA-N 2 2 248.414 2.901 20 0 BFADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3C=CCCCCC3)CC[C@H]21 ZINC000879583721 590824571 /nfs/dbraw/zinc/82/45/71/590824571.db2.gz ZLEGYQLNRWVTEW-OWCLPIDISA-N 2 2 248.414 2.901 20 0 BFADLP CCC1(CC)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000880094118 590925109 /nfs/dbraw/zinc/92/51/09/590925109.db2.gz DBSSBVOLLGHILV-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP CCC1(CC)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000880094118 590925112 /nfs/dbraw/zinc/92/51/12/590925112.db2.gz DBSSBVOLLGHILV-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136347 590937165 /nfs/dbraw/zinc/93/71/65/590937165.db2.gz KQRCPNINWXOOPW-SOUVJXGZSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880136347 590937168 /nfs/dbraw/zinc/93/71/68/590937168.db2.gz KQRCPNINWXOOPW-SOUVJXGZSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880136347 590937171 /nfs/dbraw/zinc/93/71/71/590937171.db2.gz KQRCPNINWXOOPW-SOUVJXGZSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880136347 590937173 /nfs/dbraw/zinc/93/71/73/590937173.db2.gz KQRCPNINWXOOPW-SOUVJXGZSA-N 2 2 238.419 2.837 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880142571 590937659 /nfs/dbraw/zinc/93/76/59/590937659.db2.gz QMJHPXUSLCXTAR-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880142571 590937660 /nfs/dbraw/zinc/93/76/60/590937660.db2.gz QMJHPXUSLCXTAR-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880142571 590937665 /nfs/dbraw/zinc/93/76/65/590937665.db2.gz QMJHPXUSLCXTAR-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880142571 590937670 /nfs/dbraw/zinc/93/76/70/590937670.db2.gz QMJHPXUSLCXTAR-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880135822 590938731 /nfs/dbraw/zinc/93/87/31/590938731.db2.gz ATNCJARVBQANHD-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880135822 590938733 /nfs/dbraw/zinc/93/87/33/590938733.db2.gz ATNCJARVBQANHD-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880135822 590938735 /nfs/dbraw/zinc/93/87/35/590938735.db2.gz ATNCJARVBQANHD-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880135822 590938738 /nfs/dbraw/zinc/93/87/38/590938738.db2.gz ATNCJARVBQANHD-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)Cn1cc[nH+]c1 ZINC000882934314 591476801 /nfs/dbraw/zinc/47/68/01/591476801.db2.gz FEDJBWYKGUQRIZ-APIJFGDWSA-N 2 2 247.386 2.688 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC3(CC3)C1)CC2 ZINC000883217981 591576684 /nfs/dbraw/zinc/57/66/84/591576684.db2.gz SAOGZTXVNZSEGA-OLZOCXBDSA-N 2 2 245.370 2.510 20 0 BFADLP C=C/C=C/CC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000883259846 591597123 /nfs/dbraw/zinc/59/71/23/591597123.db2.gz ANXBHPRVTGZRGA-SNAWJCMRSA-N 2 2 241.338 2.865 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322806 591615910 /nfs/dbraw/zinc/61/59/10/591615910.db2.gz WASIQAFWWAUXSF-XVLPMQGWSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322806 591615912 /nfs/dbraw/zinc/61/59/12/591615912.db2.gz WASIQAFWWAUXSF-XVLPMQGWSA-N 2 2 248.414 2.637 20 0 BFADLP CC[N@@H+]1CC[C@@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000883360018 591629317 /nfs/dbraw/zinc/62/93/17/591629317.db2.gz SCOFIXNZRXONBX-NHZBNJEXSA-N 2 2 248.345 2.523 20 0 BFADLP CC[N@H+]1CC[C@@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000883360018 591629320 /nfs/dbraw/zinc/62/93/20/591629320.db2.gz SCOFIXNZRXONBX-NHZBNJEXSA-N 2 2 248.345 2.523 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000883434481 591664326 /nfs/dbraw/zinc/66/43/26/591664326.db2.gz SJKWVXACZFYKGU-QGZUEGPWSA-N 2 2 242.366 2.677 20 0 BFADLP C=C/C=C\CC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000883434481 591664328 /nfs/dbraw/zinc/66/43/28/591664328.db2.gz SJKWVXACZFYKGU-QGZUEGPWSA-N 2 2 242.366 2.677 20 0 BFADLP c1cn2c(cccc2C[NH2+]C2CCC=CCC2)[nH+]1 ZINC000886376594 592221708 /nfs/dbraw/zinc/22/17/08/592221708.db2.gz JGNWVONSBAESAZ-UHFFFAOYSA-N 2 2 241.338 2.923 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC=CCC1 ZINC000886813729 592334669 /nfs/dbraw/zinc/33/46/69/592334669.db2.gz UFGGTKLYEMVYSI-DOMZBBRYSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC=CCC1 ZINC000886813729 592334674 /nfs/dbraw/zinc/33/46/74/592334674.db2.gz UFGGTKLYEMVYSI-DOMZBBRYSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccoc1)c1ccccc1 ZINC000925705309 634387476 /nfs/dbraw/zinc/38/74/76/634387476.db2.gz ADOBIYMZDKBYTF-DOMZBBRYSA-N 2 2 244.338 2.500 20 0 BFADLP C[C@H]([NH3+])[C@@H]([NH2+]CCC(C)(C)F)c1ccccc1 ZINC000925705857 634388958 /nfs/dbraw/zinc/38/89/58/634388958.db2.gz CKKOMMDHWKFYLX-WCQYABFASA-N 2 2 238.350 2.803 20 0 BFADLP Cc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257733368 634486110 /nfs/dbraw/zinc/48/61/10/634486110.db2.gz XLZPXQGNTAJNRW-MRXNPFEDSA-N 2 2 244.382 2.713 20 0 BFADLP Cc1ccccc1C[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257733368 634486115 /nfs/dbraw/zinc/48/61/15/634486115.db2.gz XLZPXQGNTAJNRW-MRXNPFEDSA-N 2 2 244.382 2.713 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925929416 635641271 /nfs/dbraw/zinc/64/12/71/635641271.db2.gz MXQZMWSVYATMMI-OCCSQVGLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925929416 635641278 /nfs/dbraw/zinc/64/12/78/635641278.db2.gz MXQZMWSVYATMMI-OCCSQVGLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C)cc1 ZINC000091544355 632070029 /nfs/dbraw/zinc/07/00/29/632070029.db2.gz FBZSRKOYIPXNRP-KGLIPLIRSA-N 2 2 232.371 2.949 20 0 BFADLP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(C)cc1 ZINC000091544355 632070035 /nfs/dbraw/zinc/07/00/35/632070035.db2.gz FBZSRKOYIPXNRP-KGLIPLIRSA-N 2 2 232.371 2.949 20 0 BFADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000926550192 632481173 /nfs/dbraw/zinc/48/11/73/632481173.db2.gz MJPHSSUWBVPWMN-VGWMRTNUSA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000926550192 632481175 /nfs/dbraw/zinc/48/11/75/632481175.db2.gz MJPHSSUWBVPWMN-VGWMRTNUSA-N 2 2 248.414 2.639 20 0 BFADLP CCCSC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000892413948 632654700 /nfs/dbraw/zinc/65/47/00/632654700.db2.gz NJHJUENMFKDVDE-QWHCGFSZSA-N 2 2 244.448 2.592 20 0 BFADLP CCCSC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000892413948 632654703 /nfs/dbraw/zinc/65/47/03/632654703.db2.gz NJHJUENMFKDVDE-QWHCGFSZSA-N 2 2 244.448 2.592 20 0 BFADLP CC1CC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926735899 632921540 /nfs/dbraw/zinc/92/15/40/632921540.db2.gz CDLGCVDLNKOANP-PFSRBDOWSA-N 2 2 236.403 2.639 20 0 BFADLP CC1CC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926735899 632921554 /nfs/dbraw/zinc/92/15/54/632921554.db2.gz CDLGCVDLNKOANP-PFSRBDOWSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925605099 634135488 /nfs/dbraw/zinc/13/54/88/634135488.db2.gz PCZJACSTEQXETE-ATGSNQNLSA-N 2 2 232.371 2.853 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000053343147 634170844 /nfs/dbraw/zinc/17/08/44/634170844.db2.gz BKNFEZXMPBUOMT-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000053343147 634170851 /nfs/dbraw/zinc/17/08/51/634170851.db2.gz BKNFEZXMPBUOMT-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCC(C)(F)F)c1ccccc1 ZINC000925679540 634276307 /nfs/dbraw/zinc/27/63/07/634276307.db2.gz JJHSTJWOSRIGSW-ZYHUDNBSSA-N 2 2 242.313 2.710 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000150304948 639490451 /nfs/dbraw/zinc/49/04/51/639490451.db2.gz QNRWEELZFISPSJ-GFCCVEGCSA-N 2 2 240.297 2.547 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000150304948 639490458 /nfs/dbraw/zinc/49/04/58/639490458.db2.gz QNRWEELZFISPSJ-GFCCVEGCSA-N 2 2 240.297 2.547 20 0 BFADLP C[C@H](c1ccccn1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356925 640170351 /nfs/dbraw/zinc/17/03/51/640170351.db2.gz QBIFZUXXXOAPSA-CYBMUJFWSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CCCC1 ZINC000224322565 640612198 /nfs/dbraw/zinc/61/21/98/640612198.db2.gz NNDQGIBVHRDOAV-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CCCC1 ZINC000224322565 640612201 /nfs/dbraw/zinc/61/22/01/640612201.db2.gz NNDQGIBVHRDOAV-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000041063687 641541665 /nfs/dbraw/zinc/54/16/65/641541665.db2.gz UXKWXPOFQIXJEO-UHFFFAOYSA-N 2 2 235.375 2.832 20 0 BFADLP CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154507674 642115863 /nfs/dbraw/zinc/11/58/63/642115863.db2.gz LFQBIONOAZLOOT-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154507674 642115867 /nfs/dbraw/zinc/11/58/67/642115867.db2.gz LFQBIONOAZLOOT-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000920410741 642487536 /nfs/dbraw/zinc/48/75/36/642487536.db2.gz CEGDOLTVARBOOE-UHFFFAOYSA-N 2 2 247.317 2.901 20 0 BFADLP CCc1ccccc1C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420412138 642724580 /nfs/dbraw/zinc/72/45/80/642724580.db2.gz YIWBTQSSBOFDKY-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1ccccc1C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000420412138 642724585 /nfs/dbraw/zinc/72/45/85/642724585.db2.gz YIWBTQSSBOFDKY-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP CS[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000921653739 643705481 /nfs/dbraw/zinc/70/54/81/643705481.db2.gz XFYQDQLSRBNAIX-STQMWFEESA-N 2 2 244.448 2.590 20 0 BFADLP CS[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000921653739 643705488 /nfs/dbraw/zinc/70/54/88/643705488.db2.gz XFYQDQLSRBNAIX-STQMWFEESA-N 2 2 244.448 2.590 20 0 BFADLP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)co1 ZINC000093564077 644694266 /nfs/dbraw/zinc/69/42/66/644694266.db2.gz QKHGTRQMJDOJMZ-OAHLLOKOSA-N 2 2 248.370 2.730 20 0 BFADLP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)co1 ZINC000093564077 644694273 /nfs/dbraw/zinc/69/42/73/644694273.db2.gz QKHGTRQMJDOJMZ-OAHLLOKOSA-N 2 2 248.370 2.730 20 0 BFADLP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)co1 ZINC000093683786 644697528 /nfs/dbraw/zinc/69/75/28/644697528.db2.gz AUSYMQAYIPMILB-CQSZACIVSA-N 2 2 248.370 2.587 20 0 BFADLP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)co1 ZINC000093683786 644697533 /nfs/dbraw/zinc/69/75/33/644697533.db2.gz AUSYMQAYIPMILB-CQSZACIVSA-N 2 2 248.370 2.587 20 0 BFADLP CC(C)(C)[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094079066 644706724 /nfs/dbraw/zinc/70/67/24/644706724.db2.gz TYOILKZGDAVNJA-KGLIPLIRSA-N 2 2 232.371 2.725 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000250337003 644755447 /nfs/dbraw/zinc/75/54/47/644755447.db2.gz PGPCSTWVZWZBID-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000250337003 644755453 /nfs/dbraw/zinc/75/54/53/644755453.db2.gz PGPCSTWVZWZBID-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000817984110 644994929 /nfs/dbraw/zinc/99/49/29/644994929.db2.gz NFQNXAIQROHBRU-GDBMZVCRSA-N 2 2 244.382 2.714 20 0 BFADLP CC/C=C/C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926516846 645249703 /nfs/dbraw/zinc/24/97/03/645249703.db2.gz OZFXCNAHRFYENF-JRFBKZHLSA-N 2 2 222.376 2.559 20 0 BFADLP CC/C=C/C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926516846 645249706 /nfs/dbraw/zinc/24/97/06/645249706.db2.gz OZFXCNAHRFYENF-JRFBKZHLSA-N 2 2 222.376 2.559 20 0 BFADLP C=C/C=C/CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926844711 645453656 /nfs/dbraw/zinc/45/36/56/645453656.db2.gz MGXJJUWYCIKEJC-RYIMYRPNSA-N 2 2 234.387 2.725 20 0 BFADLP C=C/C=C/CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926844711 645453659 /nfs/dbraw/zinc/45/36/59/645453659.db2.gz MGXJJUWYCIKEJC-RYIMYRPNSA-N 2 2 234.387 2.725 20 0 BFADLP CCC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925499177 645936926 /nfs/dbraw/zinc/93/69/26/645936926.db2.gz WOPLRVPTOHFUQK-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CCC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925499177 645936930 /nfs/dbraw/zinc/93/69/30/645936930.db2.gz WOPLRVPTOHFUQK-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CCCCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924540227 646059774 /nfs/dbraw/zinc/05/97/74/646059774.db2.gz DNDFKZZLLCLRAB-UONOGXRCSA-N 2 2 224.392 2.783 20 0 BFADLP CCCCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924540227 646059775 /nfs/dbraw/zinc/05/97/75/646059775.db2.gz DNDFKZZLLCLRAB-UONOGXRCSA-N 2 2 224.392 2.783 20 0 BFADLP CC(C)=C1CC[C@@H](C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000924552433 646066192 /nfs/dbraw/zinc/06/61/92/646066192.db2.gz MBADSHBNTANYRI-HIFRSBDPSA-N 2 2 247.386 2.998 20 0 BFADLP Cc1cccc2c1[C@@H]([NH2+]C[C@H](C)[NH+](C)C)CC2 ZINC000924957062 646142400 /nfs/dbraw/zinc/14/24/00/646142400.db2.gz JUESONIOJIFADN-JSGCOSHPSA-N 2 2 232.371 2.522 20 0 BFADLP C(CC1CCC1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925514903 646310483 /nfs/dbraw/zinc/31/04/83/646310483.db2.gz GXVRIIWAXMYWDO-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCC1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925514903 646310485 /nfs/dbraw/zinc/31/04/85/646310485.db2.gz GXVRIIWAXMYWDO-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]([NH3+])[C@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000925610602 646359714 /nfs/dbraw/zinc/35/97/14/646359714.db2.gz HWEUMWWNAVFFEZ-DOMZBBRYSA-N 2 2 244.338 2.500 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)c(C)[nH+]1 ZINC000929884983 646367653 /nfs/dbraw/zinc/36/76/53/646367653.db2.gz KANGGYBJKQBNJI-AWEZNQCLSA-N 2 2 244.342 2.692 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)c(C)[nH+]1 ZINC000929884983 646367657 /nfs/dbraw/zinc/36/76/57/646367657.db2.gz KANGGYBJKQBNJI-AWEZNQCLSA-N 2 2 244.342 2.692 20 0 BFADLP CC(C)=CC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925657188 646393426 /nfs/dbraw/zinc/39/34/26/646393426.db2.gz JBVKLMSWKYHDOZ-TZMCWYRMSA-N 2 2 218.344 2.631 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1(C)CC1 ZINC000925778109 646475004 /nfs/dbraw/zinc/47/50/04/646475004.db2.gz RJQWCHGRKLNJEY-BFHYXJOUSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1(C)CC1 ZINC000925778109 646475008 /nfs/dbraw/zinc/47/50/08/646475008.db2.gz RJQWCHGRKLNJEY-BFHYXJOUSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783797 646478683 /nfs/dbraw/zinc/47/86/83/646478683.db2.gz OUZMBJXBNUTITA-QHSBEEBCSA-N 2 2 244.382 2.741 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000925784061 646481463 /nfs/dbraw/zinc/48/14/63/646481463.db2.gz PGNZQYKTSZEFTF-UHOFOFEASA-N 2 2 244.382 2.652 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925786395 646482279 /nfs/dbraw/zinc/48/22/79/646482279.db2.gz OIZLYJCFQYEUHH-BPLDGKMQSA-N 2 2 232.371 2.725 20 0 BFADLP C1CC1C1([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925896468 646535040 /nfs/dbraw/zinc/53/50/40/646535040.db2.gz ODLWSJMJLTZVTB-KGLIPLIRSA-N 2 2 234.387 2.536 20 0 BFADLP C1CC1C1([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925896468 646535044 /nfs/dbraw/zinc/53/50/44/646535044.db2.gz ODLWSJMJLTZVTB-KGLIPLIRSA-N 2 2 234.387 2.536 20 0 BFADLP C1CC1C1([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925896467 646535278 /nfs/dbraw/zinc/53/52/78/646535278.db2.gz ODLWSJMJLTZVTB-KBPBESRZSA-N 2 2 234.387 2.536 20 0 BFADLP C1CC1C1([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925896467 646535282 /nfs/dbraw/zinc/53/52/82/646535282.db2.gz ODLWSJMJLTZVTB-KBPBESRZSA-N 2 2 234.387 2.536 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CC3(C1)CCCC3)CC2 ZINC000926230104 646599749 /nfs/dbraw/zinc/59/97/49/646599749.db2.gz QYDNIXCXESYRLP-GFCCVEGCSA-N 2 2 245.370 2.510 20 0 BFADLP CC(C)=CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926265625 646608823 /nfs/dbraw/zinc/60/88/23/646608823.db2.gz MZHXNKAYQUFUSN-LSDHHAIUSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)=CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926265625 646608830 /nfs/dbraw/zinc/60/88/30/646608830.db2.gz MZHXNKAYQUFUSN-LSDHHAIUSA-N 2 2 236.403 2.949 20 0 BFADLP CC1(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926327898 646616797 /nfs/dbraw/zinc/61/67/97/646616797.db2.gz VWENYMWTOSRGQV-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926327898 646616801 /nfs/dbraw/zinc/61/68/01/646616801.db2.gz VWENYMWTOSRGQV-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028695 712800214 /nfs/dbraw/zinc/80/02/14/712800214.db2.gz ODHHEYJPDLBYRG-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000381297956 710619040 /nfs/dbraw/zinc/61/90/40/710619040.db2.gz ASLPTBOVOTUPLG-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)[N@H+](C)C1CC1 ZINC000382079974 710773613 /nfs/dbraw/zinc/77/36/13/710773613.db2.gz FAKZENLWFXNLHQ-LFUGVXIPSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC2CCC1CC2)[N@@H+](C)C1CC1 ZINC000382079974 710773619 /nfs/dbraw/zinc/77/36/19/710773619.db2.gz FAKZENLWFXNLHQ-LFUGVXIPSA-N 2 2 236.403 2.637 20 0 BFADLP CCC1(CC)CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000383330098 710980803 /nfs/dbraw/zinc/98/08/03/710980803.db2.gz GOVWVHQTQZJIHL-NSHDSACASA-N 2 2 248.361 2.871 20 0 BFADLP C[C@@H](c1cccs1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000390061273 711105269 /nfs/dbraw/zinc/10/52/69/711105269.db2.gz UMBZICMCQAITEB-IUCAKERBSA-N 2 2 248.342 2.723 20 0 BFADLP C[C@@H](c1cccs1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000390061273 711105270 /nfs/dbraw/zinc/10/52/70/711105270.db2.gz UMBZICMCQAITEB-IUCAKERBSA-N 2 2 248.342 2.723 20 0 BFADLP C[NH+](C)C1(C[NH2+]CC2(C)CCCC2)CCC1 ZINC000390629626 711129940 /nfs/dbraw/zinc/12/99/40/711129940.db2.gz IFHKUBNJXTXVOG-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000381297956 710619037 /nfs/dbraw/zinc/61/90/37/710619037.db2.gz ASLPTBOVOTUPLG-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000381455537 710638753 /nfs/dbraw/zinc/63/87/53/710638753.db2.gz JGURZIJFMCGEMH-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000381455537 710638757 /nfs/dbraw/zinc/63/87/57/710638757.db2.gz JGURZIJFMCGEMH-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CC3CCC2CC3)CCC1 ZINC000394238725 711188238 /nfs/dbraw/zinc/18/82/38/711188238.db2.gz RBNLKZFXJWGAPI-RUXDESIVSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[NH+]1CCCCC1 ZINC000397809452 711393043 /nfs/dbraw/zinc/39/30/43/711393043.db2.gz HYEBELLRGNATDV-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)[C@@H]1CC1(C)C ZINC000724683177 711608514 /nfs/dbraw/zinc/60/85/14/711608514.db2.gz IVBOFPJIENXMAO-RYUDHWBXSA-N 2 2 235.375 2.941 20 0 BFADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000334979882 711719602 /nfs/dbraw/zinc/71/96/02/711719602.db2.gz JYJFXHJVQAMMCI-ZBFHGGJFSA-N 2 2 244.382 2.884 20 0 BFADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000334979882 711719604 /nfs/dbraw/zinc/71/96/04/711719604.db2.gz JYJFXHJVQAMMCI-ZBFHGGJFSA-N 2 2 244.382 2.884 20 0 BFADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000257674228 711725898 /nfs/dbraw/zinc/72/58/98/711725898.db2.gz JGJAFBILKJQUEI-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C)c(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000257674228 711725900 /nfs/dbraw/zinc/72/59/00/711725900.db2.gz JGJAFBILKJQUEI-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000925788067 711751989 /nfs/dbraw/zinc/75/19/89/711751989.db2.gz XYNIPJLFNUWPKA-AVRGHOLYSA-N 2 2 244.382 2.823 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000394873050 711768741 /nfs/dbraw/zinc/76/87/41/711768741.db2.gz DYCQMXMWESHMHJ-JQWIXIFHSA-N 2 2 242.313 2.662 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]([NH3+])CC(F)F ZINC000394873050 711768742 /nfs/dbraw/zinc/76/87/42/711768742.db2.gz DYCQMXMWESHMHJ-JQWIXIFHSA-N 2 2 242.313 2.662 20 0 BFADLP CC(C)CCCC[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000703977194 712097410 /nfs/dbraw/zinc/09/74/10/712097410.db2.gz WVZBDGUABZIMLD-ZDUSSCGKSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@]12C[C@H]1CCCC2 ZINC000709130249 712210070 /nfs/dbraw/zinc/21/00/70/712210070.db2.gz NKYCLKBWVKKEGL-ZNMIVQPWSA-N 2 2 247.386 2.832 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000712695165 712448001 /nfs/dbraw/zinc/44/80/01/712448001.db2.gz QHCDCVIZZJLAGQ-DCDXPUDHSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000712695165 712448003 /nfs/dbraw/zinc/44/80/03/712448003.db2.gz QHCDCVIZZJLAGQ-DCDXPUDHSA-N 2 2 248.414 2.637 20 0 BFADLP CCCC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156758 712549561 /nfs/dbraw/zinc/54/95/61/712549561.db2.gz FGNBNWFYAZKNAC-LBPRGKRZSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CC1 ZINC000037156613 712549571 /nfs/dbraw/zinc/54/95/71/712549571.db2.gz SRNHEWYFTVWXKX-YPMHNXCESA-N 2 2 235.375 2.686 20 0 BFADLP CCCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000037213832 712553405 /nfs/dbraw/zinc/55/34/05/712553405.db2.gz WHJWFVMUVUASIW-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000037213832 712553406 /nfs/dbraw/zinc/55/34/06/712553406.db2.gz WHJWFVMUVUASIW-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCCCC2CC2)C[N@@H+]1C1CC1 ZINC000716357691 712556094 /nfs/dbraw/zinc/55/60/94/712556094.db2.gz JCMZWAPIDFZLNL-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCCCC2CC2)C[N@H+]1C1CC1 ZINC000716357691 712556095 /nfs/dbraw/zinc/55/60/95/712556095.db2.gz JCMZWAPIDFZLNL-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)C[N@@H+]1C1CC1 ZINC000717159963 712637718 /nfs/dbraw/zinc/63/77/18/712637718.db2.gz LWBQOKLIRBWJBH-YMSVYLFOSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)C[N@H+]1C1CC1 ZINC000717159963 712637719 /nfs/dbraw/zinc/63/77/19/712637719.db2.gz LWBQOKLIRBWJBH-YMSVYLFOSA-N 2 2 248.414 2.637 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCCC1 ZINC000037482430 712648016 /nfs/dbraw/zinc/64/80/16/712648016.db2.gz WEEZMHCUOUIZQP-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCCC1 ZINC000037482430 712648017 /nfs/dbraw/zinc/64/80/17/712648017.db2.gz WEEZMHCUOUIZQP-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@@H]1CCC(C)(C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000717490079 712659929 /nfs/dbraw/zinc/65/99/29/712659929.db2.gz OSOFBSOKIFDYCL-OLZOCXBDSA-N 2 2 235.375 2.688 20 0 BFADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC[NH3+] ZINC000037712510 712744792 /nfs/dbraw/zinc/74/47/92/712744792.db2.gz ZVUMMEKHCCUMML-SNVBAGLBSA-N 2 2 232.327 2.605 20 0 BFADLP Cc1ccc(F)c(C[NH2+]CC[C@H](C)[NH+](C)C)c1 ZINC000697918455 964678911 /nfs/dbraw/zinc/67/89/11/964678911.db2.gz BOVQDUZQWJXOMA-LBPRGKRZSA-N 2 2 238.350 2.564 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)s1 ZINC001236199995 966307873 /nfs/dbraw/zinc/30/78/73/966307873.db2.gz HAXKXNKWDZUWBE-CYBMUJFWSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)s1 ZINC001236199995 966307880 /nfs/dbraw/zinc/30/78/80/966307880.db2.gz HAXKXNKWDZUWBE-CYBMUJFWSA-N 2 2 238.400 2.630 20 0 BFADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@H](F)C2)CCCC1 ZINC001208186604 969116890 /nfs/dbraw/zinc/11/68/90/969116890.db2.gz WLRCDCUHFOFKDY-ZDUSSCGKSA-N 2 2 242.382 2.542 20 0 BFADLP C[NH+](C)CC1(C[N@H+]2CCC[C@H](F)C2)CCCC1 ZINC001208186604 969116894 /nfs/dbraw/zinc/11/68/94/969116894.db2.gz WLRCDCUHFOFKDY-ZDUSSCGKSA-N 2 2 242.382 2.542 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[NH+]1CCC(F)(F)CC1 ZINC001255954633 970587522 /nfs/dbraw/zinc/58/75/22/970587522.db2.gz GPWJZFDHEHPMRM-GFCCVEGCSA-N 2 2 248.361 2.838 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@H](F)C[C@H]1C ZINC001255955594 970589300 /nfs/dbraw/zinc/58/93/00/970589300.db2.gz CQNPTPYVJYEJSX-JHJVBQTASA-N 2 2 230.371 2.539 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@H](F)C[C@H]1C ZINC001255955594 970589305 /nfs/dbraw/zinc/58/93/05/970589305.db2.gz CQNPTPYVJYEJSX-JHJVBQTASA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@@H]1CC[C@@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001173271160 975142603 /nfs/dbraw/zinc/14/26/03/975142603.db2.gz BPIAMLYIXWFSJR-TZMCWYRMSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001173271160 975142608 /nfs/dbraw/zinc/14/26/08/975142608.db2.gz BPIAMLYIXWFSJR-TZMCWYRMSA-N 2 2 224.392 2.591 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CCCC(F)(F)F ZINC001334234959 976398645 /nfs/dbraw/zinc/39/86/45/976398645.db2.gz UPIXYLLYIBTKCG-UHFFFAOYSA-N 2 2 249.280 2.548 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CCCC(F)(F)F ZINC001334234959 976398657 /nfs/dbraw/zinc/39/86/57/976398657.db2.gz UPIXYLLYIBTKCG-UHFFFAOYSA-N 2 2 249.280 2.548 20 0 BFADLP CC/C=C\CCCCC[N@@H+]1CC[C@@H]([NH2+]C)C1 ZINC001235828539 979165118 /nfs/dbraw/zinc/16/51/18/979165118.db2.gz CLNDJTUXVMDLEP-ZRUQZJFASA-N 2 2 224.392 2.807 20 0 BFADLP CC/C=C\CCCCC[N@H+]1CC[C@@H]([NH2+]C)C1 ZINC001235828539 979165123 /nfs/dbraw/zinc/16/51/23/979165123.db2.gz CLNDJTUXVMDLEP-ZRUQZJFASA-N 2 2 224.392 2.807 20 0 BFADLP CSc1ccccc1[C@H]1CCC[N@@H+]1CC[NH3+] ZINC001236108774 979393121 /nfs/dbraw/zinc/39/31/21/979393121.db2.gz NDTCGDRKKKNNOZ-GFCCVEGCSA-N 2 2 236.384 2.504 20 0 BFADLP CSc1ccccc1[C@H]1CCC[N@H+]1CC[NH3+] ZINC001236108774 979393129 /nfs/dbraw/zinc/39/31/29/979393129.db2.gz NDTCGDRKKKNNOZ-GFCCVEGCSA-N 2 2 236.384 2.504 20 0 BFADLP CSc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC001345099021 980547916 /nfs/dbraw/zinc/54/79/16/980547916.db2.gz YMFMERYIDUQTGD-JTQLQIEISA-N 2 2 236.384 2.550 20 0 BFADLP CCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001201756597 983457865 /nfs/dbraw/zinc/45/78/65/983457865.db2.gz OIKBVCBSZYZRGX-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001201756597 983457866 /nfs/dbraw/zinc/45/78/66/983457866.db2.gz OIKBVCBSZYZRGX-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP Cc1csc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC001137152617 983983784 /nfs/dbraw/zinc/98/37/84/983983784.db2.gz VVHHTXWMMSZOAH-UHFFFAOYSA-N 2 2 238.400 2.583 20 0 BFADLP Cc1csc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC001137152617 983983800 /nfs/dbraw/zinc/98/38/00/983983800.db2.gz VVHHTXWMMSZOAH-UHFFFAOYSA-N 2 2 238.400 2.583 20 0 BFADLP CCC[C@H](CC)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257260243 971159858 /nfs/dbraw/zinc/15/98/58/971159858.db2.gz QXPOYJMFRMTNFA-LBPRGKRZSA-N 2 2 221.348 2.586 20 0 BFADLP CCC[C@H](CC)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257260243 971159863 /nfs/dbraw/zinc/15/98/63/971159863.db2.gz QXPOYJMFRMTNFA-LBPRGKRZSA-N 2 2 221.348 2.586 20 0 BFADLP CCCC(CCC)[N@H+](C)C1CC[NH+](C)CC1 ZINC001257335182 971243114 /nfs/dbraw/zinc/24/31/14/971243114.db2.gz NOLGVWBOAFLIKK-UHFFFAOYSA-N 2 2 226.408 2.981 20 0 BFADLP CCCC(CCC)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001257335182 971243118 /nfs/dbraw/zinc/24/31/18/971243118.db2.gz NOLGVWBOAFLIKK-UHFFFAOYSA-N 2 2 226.408 2.981 20 0 BFADLP CC[C@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001257435904 971346158 /nfs/dbraw/zinc/34/61/58/971346158.db2.gz NNNJELCYAJDMMI-NSHDSACASA-N 2 2 229.327 2.980 20 0 BFADLP CCCCC[C@@H](C)n1cc[nH+]c1CC[NH3+] ZINC001257501435 971413884 /nfs/dbraw/zinc/41/38/84/971413884.db2.gz HMLDFZWNBVGUTI-LLVKDONJSA-N 2 2 209.337 2.526 20 0 BFADLP CCCCC[C@@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001257501786 971418562 /nfs/dbraw/zinc/41/85/62/971418562.db2.gz MSHTWVGZEMFGNN-LLVKDONJSA-N 2 2 223.364 2.834 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170765518 971755540 /nfs/dbraw/zinc/75/55/40/971755540.db2.gz VHDMTWPLNUTATH-ZSOGYDGISA-N 2 2 247.386 2.640 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170765518 971755545 /nfs/dbraw/zinc/75/55/45/971755545.db2.gz VHDMTWPLNUTATH-ZSOGYDGISA-N 2 2 247.386 2.640 20 0 BFADLP Cc1cc(NCC[C@@H](C)[NH3+])[nH+]cc1C(F)(F)F ZINC001170889912 972039320 /nfs/dbraw/zinc/03/93/20/972039320.db2.gz YVTXAVKQUZWVGH-MRVPVSSYSA-N 2 2 247.264 2.558 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246085138 972139847 /nfs/dbraw/zinc/13/98/47/972139847.db2.gz GVAQXIIFFQTPMZ-XDQVBPFNSA-N 2 2 244.398 2.737 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246144184 972194074 /nfs/dbraw/zinc/19/40/74/972194074.db2.gz SHLDFKSIBLCCNA-MIGQKNRLSA-N 2 2 244.382 2.868 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC001246161831 972202265 /nfs/dbraw/zinc/20/22/65/972202265.db2.gz ASESSAVOVDYDDZ-NWANDNLSSA-N 2 2 232.371 2.868 20 0 BFADLP CCC[C@@H](C)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246172717 972203366 /nfs/dbraw/zinc/20/33/66/972203366.db2.gz WRKAMOJQLJWQJW-CYBMUJFWSA-N 2 2 220.360 2.554 20 0 BFADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCC12CCCC2 ZINC000707182568 958395301 /nfs/dbraw/zinc/39/53/01/958395301.db2.gz ICMJKWNXLKCPQI-OAHLLOKOSA-N 2 2 244.382 2.575 20 0 BFADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCC12CCCC2 ZINC000707182568 958395320 /nfs/dbraw/zinc/39/53/20/958395320.db2.gz ICMJKWNXLKCPQI-OAHLLOKOSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+][C@@H](C)C2)c1C ZINC001246476784 972349098 /nfs/dbraw/zinc/34/90/98/972349098.db2.gz VOCCFLUFAGCKDN-YUTCNCBUSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1cccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399027605 958493822 /nfs/dbraw/zinc/49/38/22/958493822.db2.gz KKOPJTPQQHNJSQ-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[N@H+](C)[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399027605 958493838 /nfs/dbraw/zinc/49/38/38/958493838.db2.gz KKOPJTPQQHNJSQ-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C)c1C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192060 972402735 /nfs/dbraw/zinc/40/27/35/972402735.db2.gz SPVLXPKSPZNRQE-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cccc(C)c1C[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192060 972402745 /nfs/dbraw/zinc/40/27/45/972402745.db2.gz SPVLXPKSPZNRQE-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000724775896 959443514 /nfs/dbraw/zinc/44/35/14/959443514.db2.gz MMKGONNYUYIAJQ-OLZOCXBDSA-N 2 2 233.359 2.730 20 0 BFADLP Cc1[nH]c(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000724775896 959443518 /nfs/dbraw/zinc/44/35/18/959443518.db2.gz MMKGONNYUYIAJQ-OLZOCXBDSA-N 2 2 233.359 2.730 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]3)C2)c(C)c1 ZINC001222282294 960526316 /nfs/dbraw/zinc/52/63/16/960526316.db2.gz IISFJPXOWNRTNB-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]3)C2)c(C)c1 ZINC001222282294 960526323 /nfs/dbraw/zinc/52/63/23/960526323.db2.gz IISFJPXOWNRTNB-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP CC1(C)CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802435 960592935 /nfs/dbraw/zinc/59/29/35/960592935.db2.gz VOLYAAHYVNVPHC-UHFFFAOYSA-N 2 2 229.327 2.937 20 0 BFADLP CC1(C)CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140802435 960592940 /nfs/dbraw/zinc/59/29/40/960592940.db2.gz VOLYAAHYVNVPHC-UHFFFAOYSA-N 2 2 229.327 2.937 20 0 BFADLP F[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140801780 960596628 /nfs/dbraw/zinc/59/66/28/960596628.db2.gz FRQLCRRAQGBVKN-LBPRGKRZSA-N 2 2 247.317 2.887 20 0 BFADLP F[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140801780 960596635 /nfs/dbraw/zinc/59/66/35/960596635.db2.gz FRQLCRRAQGBVKN-LBPRGKRZSA-N 2 2 247.317 2.887 20 0 BFADLP Cc1cc[nH+]c(NCc2[nH+]cn3ccccc23)c1 ZINC001161680528 963179481 /nfs/dbraw/zinc/17/94/81/963179481.db2.gz FKWDOFFZBUKWGA-UHFFFAOYSA-N 2 2 238.294 2.650 20 0 BFADLP Cc1cc2ccccc2c(N[C@H](C)C[NH+](C)C)[nH+]1 ZINC001155921136 963206676 /nfs/dbraw/zinc/20/66/76/963206676.db2.gz KLCPREYUNYDQBN-GFCCVEGCSA-N 2 2 243.354 2.905 20 0 BFADLP CC1CCC([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC001168204455 963983688 /nfs/dbraw/zinc/98/36/88/963983688.db2.gz RNGSWJISIPFLID-ZALBZXLWSA-N 2 2 236.403 2.639 20 0 BFADLP CC1CCC([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC001168204455 963983694 /nfs/dbraw/zinc/98/36/94/963983694.db2.gz RNGSWJISIPFLID-ZALBZXLWSA-N 2 2 236.403 2.639 20 0 BFADLP CCc1ccc[nH+]c1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159203400 964016553 /nfs/dbraw/zinc/01/65/53/964016553.db2.gz BWIZKTNMUUWOAY-UHFFFAOYSA-N 2 2 239.322 2.991 20 0 BFADLP c1cn(CCCNc2cc[nH+]c(C3CC3)c2)c[nH+]1 ZINC001161688689 964686654 /nfs/dbraw/zinc/68/66/54/964686654.db2.gz ZZAXJYXYKZGALZ-UHFFFAOYSA-N 2 2 242.326 2.658 20 0 BFADLP Cc1ccc(N[C@@]2(C)CCC[N@@H+](C)C2)[nH+]c1C ZINC001162342943 964939804 /nfs/dbraw/zinc/93/98/04/964939804.db2.gz XSMPVDDTGRFRRN-AWEZNQCLSA-N 2 2 233.359 2.595 20 0 BFADLP Cc1ccc(N[C@@]2(C)CCC[N@H+](C)C2)[nH+]c1C ZINC001162342943 964939806 /nfs/dbraw/zinc/93/98/06/964939806.db2.gz XSMPVDDTGRFRRN-AWEZNQCLSA-N 2 2 233.359 2.595 20 0 BFADLP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)ccc1[NH+](C)C ZINC001162405393 964964950 /nfs/dbraw/zinc/96/49/50/964964950.db2.gz UTXIRUUGCJAZKE-STQMWFEESA-N 2 2 247.386 2.743 20 0 BFADLP Cc1ccc2c(cc[nH+]c2N[C@H](C)C[NH+](C)C)c1 ZINC001163770469 965572580 /nfs/dbraw/zinc/57/25/80/965572580.db2.gz JZNKOJSQHDZSLC-GFCCVEGCSA-N 2 2 243.354 2.905 20 0 BFADLP CC(C)=CCC[C@H](C)C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167343 966023420 /nfs/dbraw/zinc/02/34/20/966023420.db2.gz YRQZNRLVDYWTIJ-SOUVJXGZSA-N 2 2 236.403 2.792 20 0 BFADLP CC(C)=CCC[C@H](C)C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167343 966023431 /nfs/dbraw/zinc/02/34/31/966023431.db2.gz YRQZNRLVDYWTIJ-SOUVJXGZSA-N 2 2 236.403 2.792 20 0 BFADLP CC[N@H+](CC[NH2+]C)CC[C@@H](C)c1ccc(C)o1 ZINC001236143529 966276605 /nfs/dbraw/zinc/27/66/05/966276605.db2.gz LGALDISFEROMMY-GFCCVEGCSA-N 2 2 238.375 2.623 20 0 BFADLP CC[N@@H+](CC[NH2+]C)CC[C@@H](C)c1ccc(C)o1 ZINC001236143529 966276614 /nfs/dbraw/zinc/27/66/14/966276614.db2.gz LGALDISFEROMMY-GFCCVEGCSA-N 2 2 238.375 2.623 20 0 BFADLP Cc1cccc(C[N@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236235983 966318318 /nfs/dbraw/zinc/31/83/18/966318318.db2.gz HWFMQCFBQIRZOU-INIZCTEOSA-N 2 2 244.382 2.711 20 0 BFADLP Cc1cccc(C[N@@H+](C2CC2)[C@H]2CCC[NH2+]C2)c1 ZINC001236235983 966318337 /nfs/dbraw/zinc/31/83/37/966318337.db2.gz HWFMQCFBQIRZOU-INIZCTEOSA-N 2 2 244.382 2.711 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)C ZINC001236422920 966428045 /nfs/dbraw/zinc/42/80/45/966428045.db2.gz ZZXSPTCSHOIOKL-OAHLLOKOSA-N 2 2 246.398 2.994 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1C(C)C ZINC001236422920 966428048 /nfs/dbraw/zinc/42/80/48/966428048.db2.gz ZZXSPTCSHOIOKL-OAHLLOKOSA-N 2 2 246.398 2.994 20 0 BFADLP Cc1ccc(C)c(N[C@H]2CCCC[C@@H]2[NH+](C)C)[nH+]1 ZINC001168593147 966959528 /nfs/dbraw/zinc/95/95/28/966959528.db2.gz HGRZSGOGUPVBMP-KBPBESRZSA-N 2 2 247.386 2.983 20 0 BFADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCC1CCCC1)C2 ZINC001276451998 966963891 /nfs/dbraw/zinc/96/38/91/966963891.db2.gz OXLWXAXAUKCKQK-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCCC1CCCC1)C2 ZINC001276451998 966963901 /nfs/dbraw/zinc/96/39/01/966963901.db2.gz OXLWXAXAUKCKQK-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCCC1CCCC1)C2 ZINC001276451998 966963909 /nfs/dbraw/zinc/96/39/09/966963909.db2.gz OXLWXAXAUKCKQK-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCCC1CCCC1)C2 ZINC001276451998 966963915 /nfs/dbraw/zinc/96/39/15/966963915.db2.gz OXLWXAXAUKCKQK-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)c1 ZINC001204944743 967249433 /nfs/dbraw/zinc/24/94/33/967249433.db2.gz AMXQCTDXULIFET-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@](C)([NH3+])C2)c1 ZINC001204944743 967249443 /nfs/dbraw/zinc/24/94/43/967249443.db2.gz AMXQCTDXULIFET-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP C[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001205164636 967404082 /nfs/dbraw/zinc/40/40/82/967404082.db2.gz JXRUDBHFEGASCE-ZFWWWQNUSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001205164636 967404090 /nfs/dbraw/zinc/40/40/90/967404090.db2.gz JXRUDBHFEGASCE-ZFWWWQNUSA-N 2 2 244.382 2.748 20 0 BFADLP CCCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001205872722 967868213 /nfs/dbraw/zinc/86/82/13/967868213.db2.gz QOQLLPNIODOOJD-CJNGLKHVSA-N 2 2 246.398 2.808 20 0 BFADLP CCCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001205872722 967868214 /nfs/dbraw/zinc/86/82/14/967868214.db2.gz QOQLLPNIODOOJD-CJNGLKHVSA-N 2 2 246.398 2.808 20 0 BFADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[NH2+]C[C@H](C)C2)CC1 ZINC001206269975 968186902 /nfs/dbraw/zinc/18/69/02/968186902.db2.gz ZHXZTZHDYFIZHG-SOUVJXGZSA-N 2 2 236.403 2.520 20 0 BFADLP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[NH2+]C[C@H](C)C2)CC1 ZINC001206269975 968186911 /nfs/dbraw/zinc/18/69/11/968186911.db2.gz ZHXZTZHDYFIZHG-SOUVJXGZSA-N 2 2 236.403 2.520 20 0 BFADLP CC(C)(C)[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000820735752 968480323 /nfs/dbraw/zinc/48/03/23/968480323.db2.gz VBAAEGTUFFNIJP-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)ccn1 ZINC001206854063 968500731 /nfs/dbraw/zinc/50/07/31/968500731.db2.gz NTOAVLXWSDXTAB-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)ccn1 ZINC001206854063 968500736 /nfs/dbraw/zinc/50/07/36/968500736.db2.gz NTOAVLXWSDXTAB-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP C=Cc1ccc(NC[C@@H]2CCC[NH2+]C[C@H]2C)[nH+]c1 ZINC001155028453 968856117 /nfs/dbraw/zinc/85/61/17/968856117.db2.gz AALZIGSHPMBAIQ-OCCSQVGLSA-N 2 2 245.370 2.772 20 0 BFADLP CC/C=C\CCC[N@@H+]1CCn2c(C)[nH+]cc2C1 ZINC001208134988 969034354 /nfs/dbraw/zinc/03/43/54/969034354.db2.gz VUPGQNUKRQKXCO-PLNGDYQASA-N 2 2 233.359 2.754 20 0 BFADLP CC/C=C\CCC[N@H+]1CCn2c(C)[nH+]cc2C1 ZINC001208134988 969034364 /nfs/dbraw/zinc/03/43/64/969034364.db2.gz VUPGQNUKRQKXCO-PLNGDYQASA-N 2 2 233.359 2.754 20 0 BFADLP CC[N@H+](C)c1ccc(NC2=CC[NH+](C)CC2)cc1 ZINC001208980228 969316717 /nfs/dbraw/zinc/31/67/17/969316717.db2.gz REGYXJCNYGVKRN-UHFFFAOYSA-N 2 2 245.370 2.774 20 0 BFADLP CC[N@@H+](C)c1ccc(NC2=CC[NH+](C)CC2)cc1 ZINC001208980228 969316720 /nfs/dbraw/zinc/31/67/20/969316720.db2.gz REGYXJCNYGVKRN-UHFFFAOYSA-N 2 2 245.370 2.774 20 0 BFADLP CC[NH+](C)c1ccc(NC2=CC[N@H+](C)CC2)cc1 ZINC001208980228 969316724 /nfs/dbraw/zinc/31/67/24/969316724.db2.gz REGYXJCNYGVKRN-UHFFFAOYSA-N 2 2 245.370 2.774 20 0 BFADLP CC[NH+](C)c1ccc(NC2=CC[N@@H+](C)CC2)cc1 ZINC001208980228 969316726 /nfs/dbraw/zinc/31/67/26/969316726.db2.gz REGYXJCNYGVKRN-UHFFFAOYSA-N 2 2 245.370 2.774 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001169265100 969524083 /nfs/dbraw/zinc/52/40/83/969524083.db2.gz MUJQLLSFBKJIOY-INIZCTEOSA-N 2 2 244.382 2.918 20 0 BFADLP CC[NH+]1CCC([N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001169265100 969524087 /nfs/dbraw/zinc/52/40/87/969524087.db2.gz MUJQLLSFBKJIOY-INIZCTEOSA-N 2 2 244.382 2.918 20 0 BFADLP CC[NH+]1CCC([NH+]2CCC3(CCC3)CC2)CC1 ZINC001169245734 969535219 /nfs/dbraw/zinc/53/52/19/969535219.db2.gz HTUWJMKHCDWEIY-UHFFFAOYSA-N 2 2 236.403 2.737 20 0 BFADLP CCC[C@H]1CCCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209735627 969600409 /nfs/dbraw/zinc/60/04/09/969600409.db2.gz YTGXUWTUSKVMRX-ZDUSSCGKSA-N 2 2 233.359 2.649 20 0 BFADLP CCC[C@H]1CCCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209735627 969600412 /nfs/dbraw/zinc/60/04/12/969600412.db2.gz YTGXUWTUSKVMRX-ZDUSSCGKSA-N 2 2 233.359 2.649 20 0 BFADLP Cc1c[nH+]c(Nc2c[nH+]c(N)cc2C)c(C)c1 ZINC001209965345 969733134 /nfs/dbraw/zinc/73/31/34/969733134.db2.gz RYYQIFOTLNUCEA-UHFFFAOYSA-N 2 2 228.299 2.728 20 0 BFADLP Cn1cc[nH+]c1Nc1ccc2c[nH+]ccc2c1 ZINC001210043556 969773185 /nfs/dbraw/zinc/77/31/85/969773185.db2.gz GUWDLXQBBVXGLX-UHFFFAOYSA-N 2 2 224.267 2.712 20 0 BFADLP CC1CCC([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254833408 969797423 /nfs/dbraw/zinc/79/74/23/969797423.db2.gz YAXZRODSSBSAJN-ZALBZXLWSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254839880 969801069 /nfs/dbraw/zinc/80/10/69/969801069.db2.gz XHYBIOWBDKRXOL-HIFRSBDPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254841686 969803456 /nfs/dbraw/zinc/80/34/56/969803456.db2.gz ZNIJANHRRURWRY-YDHLFZDLSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254845747 969803796 /nfs/dbraw/zinc/80/37/96/969803796.db2.gz RIWMGDFIIFSSKX-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254846915 969804389 /nfs/dbraw/zinc/80/43/89/969804389.db2.gz YAXZRODSSBSAJN-VHDGCEQUSA-N 2 2 236.403 2.639 20 0 BFADLP C1[C@H]2CCCC[C@@H]2C[NH+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851407 969805768 /nfs/dbraw/zinc/80/57/68/969805768.db2.gz AFOPIGDDGMFUGZ-BZUAXINKSA-N 2 2 248.414 2.593 20 0 BFADLP Cn1c[nH+]cc1Nc1cccc2cc[nH+]cc21 ZINC001210224480 969838993 /nfs/dbraw/zinc/83/89/93/969838993.db2.gz OPJPDBXVEWDQHP-UHFFFAOYSA-N 2 2 224.267 2.712 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(C)(C)CC1)C2 ZINC001255303001 970066285 /nfs/dbraw/zinc/06/62/85/970066285.db2.gz NHMXVUBJTQGKIZ-UHFFFAOYSA-N 2 2 247.386 2.976 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(C)(C)CC1)C2 ZINC001255303001 970066301 /nfs/dbraw/zinc/06/63/01/970066301.db2.gz NHMXVUBJTQGKIZ-UHFFFAOYSA-N 2 2 247.386 2.976 20 0 BFADLP CCCC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001255322208 970097118 /nfs/dbraw/zinc/09/71/18/970097118.db2.gz HBYVFZRBSYVKTO-LBPRGKRZSA-N 2 2 212.381 2.591 20 0 BFADLP CCCC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001255322208 970097125 /nfs/dbraw/zinc/09/71/25/970097125.db2.gz HBYVFZRBSYVKTO-LBPRGKRZSA-N 2 2 212.381 2.591 20 0 BFADLP CCCC[C@@H](C)[N@H+](CC)CCn1cc[nH+]c1 ZINC001255333263 970114409 /nfs/dbraw/zinc/11/44/09/970114409.db2.gz JCAGLBKDTWPLMZ-CYBMUJFWSA-N 2 2 223.364 2.784 20 0 BFADLP CCCC[C@@H](C)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001255333263 970114412 /nfs/dbraw/zinc/11/44/12/970114412.db2.gz JCAGLBKDTWPLMZ-CYBMUJFWSA-N 2 2 223.364 2.784 20 0 BFADLP CC(C)CCC[C@@H](C)n1cc[nH+]c1CC[NH3+] ZINC001170061341 970121015 /nfs/dbraw/zinc/12/10/15/970121015.db2.gz MAQUBUUJRWUBGH-GFCCVEGCSA-N 2 2 223.364 2.772 20 0 BFADLP Cn1c[nH+]cc1-c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001243070582 970269022 /nfs/dbraw/zinc/26/90/22/970269022.db2.gz HSZNZXCLKLEKNV-CQSZACIVSA-N 2 2 241.338 2.554 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001170118625 970340814 /nfs/dbraw/zinc/34/08/14/970340814.db2.gz SZGZHCSICKPUSE-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001170118625 970340828 /nfs/dbraw/zinc/34/08/28/970340828.db2.gz SZGZHCSICKPUSE-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C1 ZINC001170149665 970448337 /nfs/dbraw/zinc/44/83/37/970448337.db2.gz LHLQACYLNADDAI-FRRDWIJNSA-N 2 2 233.359 2.711 20 0 BFADLP C1CC([N@@H+]2CC[C@H]([NH2+]C3CCCCCC3)C2)C1 ZINC001255883304 970542061 /nfs/dbraw/zinc/54/20/61/970542061.db2.gz XGKLJMDJBMDYKR-AWEZNQCLSA-N 2 2 236.403 2.926 20 0 BFADLP C1CC([N@H+]2CC[C@H]([NH2+]C3CCCCCC3)C2)C1 ZINC001255883304 970542069 /nfs/dbraw/zinc/54/20/69/970542069.db2.gz XGKLJMDJBMDYKR-AWEZNQCLSA-N 2 2 236.403 2.926 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+](C1CCCCCC1)C2 ZINC001255887823 970550063 /nfs/dbraw/zinc/55/00/63/970550063.db2.gz BBBZCPLTSXYNDU-UHFFFAOYSA-N 2 2 233.359 2.730 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCCCCC1)C2 ZINC001255887823 970550072 /nfs/dbraw/zinc/55/00/72/970550072.db2.gz BBBZCPLTSXYNDU-UHFFFAOYSA-N 2 2 233.359 2.730 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC001255940804 970570845 /nfs/dbraw/zinc/57/08/45/970570845.db2.gz GVSAZHSVMUUOHX-KBPBESRZSA-N 2 2 249.402 2.853 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccccn1 ZINC001255955377 970586958 /nfs/dbraw/zinc/58/69/58/970586958.db2.gz RWSKPKQTTAYZIT-AWEZNQCLSA-N 2 2 249.402 2.634 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccccn1 ZINC001255955377 970586961 /nfs/dbraw/zinc/58/69/61/970586961.db2.gz RWSKPKQTTAYZIT-AWEZNQCLSA-N 2 2 249.402 2.634 20 0 BFADLP CCCC[N@H+](CCC)C1CC[NH+](C)CC1 ZINC001256207459 970713966 /nfs/dbraw/zinc/71/39/66/970713966.db2.gz JRLVRROLQATLRH-UHFFFAOYSA-N 2 2 212.381 2.593 20 0 BFADLP CCCC[N@@H+](CCC)C1CC[NH+](C)CC1 ZINC001256207459 970713974 /nfs/dbraw/zinc/71/39/74/970713974.db2.gz JRLVRROLQATLRH-UHFFFAOYSA-N 2 2 212.381 2.593 20 0 BFADLP C[NH+]1CCC([N@H+](Cc2ccccc2)C2CC2)CC1 ZINC001256208522 970714324 /nfs/dbraw/zinc/71/43/24/970714324.db2.gz KJZNLZZDRODTCR-UHFFFAOYSA-N 2 2 244.382 2.745 20 0 BFADLP C[NH+]1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC001256208522 970714334 /nfs/dbraw/zinc/71/43/34/970714334.db2.gz KJZNLZZDRODTCR-UHFFFAOYSA-N 2 2 244.382 2.745 20 0 BFADLP CCCC1CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246653532 973070751 /nfs/dbraw/zinc/07/07/51/973070751.db2.gz IBKRBVCCTMDPJG-OOJKYFRXSA-N 2 2 236.403 2.768 20 0 BFADLP CCCC1CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246653532 973070762 /nfs/dbraw/zinc/07/07/62/973070762.db2.gz IBKRBVCCTMDPJG-OOJKYFRXSA-N 2 2 236.403 2.768 20 0 BFADLP CCCCC[C@H](CC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652593 973071062 /nfs/dbraw/zinc/07/10/62/973071062.db2.gz GGZQOSRCDCFSJV-MELADBBJSA-N 2 2 224.392 2.768 20 0 BFADLP CCCCC[C@H](CC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652593 973071074 /nfs/dbraw/zinc/07/10/74/973071074.db2.gz GGZQOSRCDCFSJV-MELADBBJSA-N 2 2 224.392 2.768 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246866324 973218786 /nfs/dbraw/zinc/21/87/86/973218786.db2.gz JGJUAVCVZVZYCA-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246866324 973218803 /nfs/dbraw/zinc/21/88/03/973218803.db2.gz JGJUAVCVZVZYCA-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP C1[C@@H]2C[NH2+]C[C@@H]2[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246919527 973484549 /nfs/dbraw/zinc/48/45/49/973484549.db2.gz NKZSBZOCUINOBX-ZFWWWQNUSA-N 2 2 248.414 2.783 20 0 BFADLP C1[C@@H]2C[NH2+]C[C@@H]2[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246919527 973484565 /nfs/dbraw/zinc/48/45/65/973484565.db2.gz NKZSBZOCUINOBX-ZFWWWQNUSA-N 2 2 248.414 2.783 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172377187 974579533 /nfs/dbraw/zinc/57/95/33/974579533.db2.gz XTDUOPWGVYZZBP-MBNYWOFBSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CC[C@@H](C)[C@@H](C)C1)C2 ZINC001172377187 974579538 /nfs/dbraw/zinc/57/95/38/974579538.db2.gz XTDUOPWGVYZZBP-MBNYWOFBSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172377456 974581926 /nfs/dbraw/zinc/58/19/26/974581926.db2.gz XTDUOPWGVYZZBP-YRGRVCCFSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CC[C@@H](C)[C@H](C)C1)C2 ZINC001172377456 974581936 /nfs/dbraw/zinc/58/19/36/974581936.db2.gz XTDUOPWGVYZZBP-YRGRVCCFSA-N 2 2 247.386 2.832 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001172368735 974647940 /nfs/dbraw/zinc/64/79/40/974647940.db2.gz XZPBAMOUGCLMNT-VNHYZAJKSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001172368735 974647943 /nfs/dbraw/zinc/64/79/43/974647943.db2.gz XZPBAMOUGCLMNT-VNHYZAJKSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@@H](CC(C)C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172402844 974655384 /nfs/dbraw/zinc/65/53/84/974655384.db2.gz WCWLRYYJESWRIH-ZDUSSCGKSA-N 2 2 226.408 2.837 20 0 BFADLP CC[C@@H](CC(C)C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172402844 974655388 /nfs/dbraw/zinc/65/53/88/974655388.db2.gz WCWLRYYJESWRIH-ZDUSSCGKSA-N 2 2 226.408 2.837 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001173275574 975090008 /nfs/dbraw/zinc/09/00/08/975090008.db2.gz SISQLOWEDDYRJD-IHRRRGAJSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)C1 ZINC001173275574 975090019 /nfs/dbraw/zinc/09/00/19/975090019.db2.gz SISQLOWEDDYRJD-IHRRRGAJSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]1CC[C@@H]([N@H+](CC)C2CC[NH+](C)CC2)C1 ZINC001173276719 975229690 /nfs/dbraw/zinc/22/96/90/975229690.db2.gz DLAJRNPPRFCZPR-DZGCQCFKSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CC[C@@H]([N@@H+](CC)C2CC[NH+](C)CC2)C1 ZINC001173276719 975229694 /nfs/dbraw/zinc/22/96/94/975229694.db2.gz DLAJRNPPRFCZPR-DZGCQCFKSA-N 2 2 238.419 2.981 20 0 BFADLP Cc1cc[nH+]c(C)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001227259088 975334893 /nfs/dbraw/zinc/33/48/93/975334893.db2.gz CWYQNWYSNDHGOZ-BTTYYORXSA-N 2 2 246.354 2.702 20 0 BFADLP Cc1cc[nH+]c(C)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001227259088 975334898 /nfs/dbraw/zinc/33/48/98/975334898.db2.gz CWYQNWYSNDHGOZ-BTTYYORXSA-N 2 2 246.354 2.702 20 0 BFADLP Cc1cc[nH+]c(C)c1OC1CC[NH+](C(C)C)CC1 ZINC001227266241 975343465 /nfs/dbraw/zinc/34/34/65/975343465.db2.gz ZPWJLTUWXWFNIO-UHFFFAOYSA-N 2 2 248.370 2.950 20 0 BFADLP CCc1ccc(C)[nH+]c1Nc1cc[nH+]cc1 ZINC001173879037 975908676 /nfs/dbraw/zinc/90/86/76/975908676.db2.gz BJYNFZPHDFXOKC-UHFFFAOYSA-N 2 2 213.284 2.513 20 0 BFADLP Cc1coc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC001334367158 976470037 /nfs/dbraw/zinc/47/00/37/976470037.db2.gz LSCYSJDSZRXHDM-UHFFFAOYSA-N 2 2 236.359 2.506 20 0 BFADLP Cc1coc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC001334367158 976470039 /nfs/dbraw/zinc/47/00/39/976470039.db2.gz LSCYSJDSZRXHDM-UHFFFAOYSA-N 2 2 236.359 2.506 20 0 BFADLP c1cn2cc(Nc3cccc4[nH+]ccn43)ccc2[nH+]1 ZINC001174276520 976505182 /nfs/dbraw/zinc/50/51/82/976505182.db2.gz ZZJULMHJLSMSAL-UHFFFAOYSA-N 2 2 249.277 2.726 20 0 BFADLP C[C@@H](CC1CC1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721638300 977599405 /nfs/dbraw/zinc/59/94/05/977599405.db2.gz GHONTGHXILEDCL-BLLLJJGKSA-N 2 2 244.382 2.561 20 0 BFADLP C[C@@H](CC1CC1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721638300 977599416 /nfs/dbraw/zinc/59/94/16/977599416.db2.gz GHONTGHXILEDCL-BLLLJJGKSA-N 2 2 244.382 2.561 20 0 BFADLP CCc1cccc(Nc2ccc(C[NH3+])cc2)[nH+]1 ZINC001175966675 977835760 /nfs/dbraw/zinc/83/57/60/977835760.db2.gz UFHDELHPGOCOSH-UHFFFAOYSA-N 2 2 227.311 2.846 20 0 BFADLP Cc1cccc(Nc2cc(C)[nH+]c(C)c2)[nH+]1 ZINC001176053127 977899111 /nfs/dbraw/zinc/89/91/11/977899111.db2.gz WPHGVKGSRBLZAJ-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP CC(C)CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001176978629 978264560 /nfs/dbraw/zinc/26/45/60/978264560.db2.gz UYXPNOICMLBZFR-UHFFFAOYSA-N 2 2 235.375 2.646 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CCCCC23CC3)[nH+]1 ZINC001233363574 978577938 /nfs/dbraw/zinc/57/79/38/978577938.db2.gz NSHHJIKVMVGKRV-UHFFFAOYSA-N 2 2 241.338 2.853 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CCCCC23CC3)[nH+]1 ZINC001233363574 978577945 /nfs/dbraw/zinc/57/79/45/978577945.db2.gz NSHHJIKVMVGKRV-UHFFFAOYSA-N 2 2 241.338 2.853 20 0 BFADLP Cc1[nH]c(C[NH+]2CC3CCC(CC3)C2)c(C)[nH+]1 ZINC001234656183 978893090 /nfs/dbraw/zinc/89/30/90/978893090.db2.gz WIDRLFIPLFVMRO-UHFFFAOYSA-N 2 2 233.359 2.649 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1C ZINC001235167824 978987739 /nfs/dbraw/zinc/98/77/39/978987739.db2.gz BHFZTTQSNZRUKS-JKSUJKDBSA-N 2 2 244.382 2.535 20 0 BFADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1C ZINC001235167824 978987744 /nfs/dbraw/zinc/98/77/44/978987744.db2.gz BHFZTTQSNZRUKS-JKSUJKDBSA-N 2 2 244.382 2.535 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001235255282 979011046 /nfs/dbraw/zinc/01/10/46/979011046.db2.gz DEOVIZPKQUOYGQ-HZPDHXFCSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)c1 ZINC001235255282 979011054 /nfs/dbraw/zinc/01/10/54/979011054.db2.gz DEOVIZPKQUOYGQ-HZPDHXFCSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235261694 979013821 /nfs/dbraw/zinc/01/38/21/979013821.db2.gz PLXPCAUFQYCCSU-CVEARBPZSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235261694 979013826 /nfs/dbraw/zinc/01/38/26/979013826.db2.gz PLXPCAUFQYCCSU-CVEARBPZSA-N 2 2 244.382 2.604 20 0 BFADLP Cc1cc(C)c(Cl)c(C[N@H+](C)CCC[NH3+])c1 ZINC001235435722 979046954 /nfs/dbraw/zinc/04/69/54/979046954.db2.gz WCLOWLIXQWCNRL-UHFFFAOYSA-N 2 2 240.778 2.737 20 0 BFADLP Cc1cc(C)c(Cl)c(C[N@@H+](C)CCC[NH3+])c1 ZINC001235435722 979046962 /nfs/dbraw/zinc/04/69/62/979046962.db2.gz WCLOWLIXQWCNRL-UHFFFAOYSA-N 2 2 240.778 2.737 20 0 BFADLP Cc1ccc(Nc2c[nH+]ccc2N(C)C)c(C)[nH+]1 ZINC001203367122 979100689 /nfs/dbraw/zinc/10/06/89/979100689.db2.gz GZQLHIGYNAQLBG-UHFFFAOYSA-N 2 2 242.326 2.903 20 0 BFADLP C[NH2+]CC[NH+]1CCC(CCc2ccccc2)CC1 ZINC001235677006 979120317 /nfs/dbraw/zinc/12/03/17/979120317.db2.gz VZZSAYLJCKTKMS-UHFFFAOYSA-N 2 2 246.398 2.551 20 0 BFADLP CCc1cccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)c1 ZINC001235907951 979201416 /nfs/dbraw/zinc/20/14/16/979201416.db2.gz VIWXWONZHOFXDQ-DOMZBBRYSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1cccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)c1 ZINC001235907951 979201423 /nfs/dbraw/zinc/20/14/23/979201423.db2.gz VIWXWONZHOFXDQ-DOMZBBRYSA-N 2 2 232.371 2.561 20 0 BFADLP CC(C)[N@H+](CC[NH3+])Cc1ccc2cccccc1-2 ZINC001235948043 979217943 /nfs/dbraw/zinc/21/79/43/979217943.db2.gz QSDXQEHILITMQG-UHFFFAOYSA-N 2 2 242.366 2.961 20 0 BFADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc2cccccc1-2 ZINC001235948043 979217963 /nfs/dbraw/zinc/21/79/63/979217963.db2.gz QSDXQEHILITMQG-UHFFFAOYSA-N 2 2 242.366 2.961 20 0 BFADLP Cc1cc(Cl)ccc1C[N@@H+](CC[NH3+])C(C)C ZINC001235947271 979223171 /nfs/dbraw/zinc/22/31/71/979223171.db2.gz HPDYTZHPSNWHLW-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1cc(Cl)ccc1C[N@H+](CC[NH3+])C(C)C ZINC001235947271 979223188 /nfs/dbraw/zinc/22/31/88/979223188.db2.gz HPDYTZHPSNWHLW-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235985109 979264974 /nfs/dbraw/zinc/26/49/74/979264974.db2.gz AZIATVSQIGTLHB-HZPDHXFCSA-N 2 2 244.382 2.562 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235985109 979264989 /nfs/dbraw/zinc/26/49/89/979264989.db2.gz AZIATVSQIGTLHB-HZPDHXFCSA-N 2 2 244.382 2.562 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235993256 979286790 /nfs/dbraw/zinc/28/67/90/979286790.db2.gz QXRZUVOCQYVONX-HOTGVXAUSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235993256 979286806 /nfs/dbraw/zinc/28/68/06/979286806.db2.gz QXRZUVOCQYVONX-HOTGVXAUSA-N 2 2 244.382 2.733 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001236049195 979344541 /nfs/dbraw/zinc/34/45/41/979344541.db2.gz PGYGMTBKBREWGN-XJKSGUPXSA-N 2 2 246.398 2.808 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)cc1 ZINC001236049195 979344557 /nfs/dbraw/zinc/34/45/57/979344557.db2.gz PGYGMTBKBREWGN-XJKSGUPXSA-N 2 2 246.398 2.808 20 0 BFADLP CC[C@@H]([NH3+])C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236085744 979374621 /nfs/dbraw/zinc/37/46/21/979374621.db2.gz VZBGYNBVXDFLQU-CYBMUJFWSA-N 2 2 232.371 2.517 20 0 BFADLP CC[C@@H]([NH3+])C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236085744 979374627 /nfs/dbraw/zinc/37/46/27/979374627.db2.gz VZBGYNBVXDFLQU-CYBMUJFWSA-N 2 2 232.371 2.517 20 0 BFADLP C[N@@H+](Cc1cccc2ccoc21)C[C@@H]1CCC[NH2+]1 ZINC001236122572 979399497 /nfs/dbraw/zinc/39/94/97/979399497.db2.gz WPWPMWZEWYYRQY-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+](Cc1cccc2ccoc21)C[C@@H]1CCC[NH2+]1 ZINC001236122572 979399505 /nfs/dbraw/zinc/39/95/05/979399505.db2.gz WPWPMWZEWYYRQY-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP Cc1cc(C)cc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236198342 979446607 /nfs/dbraw/zinc/44/66/07/979446607.db2.gz BIKCHUREWXTDRX-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cc(C)cc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236198342 979446611 /nfs/dbraw/zinc/44/66/11/979446611.db2.gz BIKCHUREWXTDRX-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236237563 979462776 /nfs/dbraw/zinc/46/27/76/979462776.db2.gz RSBUJYUJNWXGSZ-MRXNPFEDSA-N 2 2 244.382 2.711 20 0 BFADLP Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236237563 979462787 /nfs/dbraw/zinc/46/27/87/979462787.db2.gz RSBUJYUJNWXGSZ-MRXNPFEDSA-N 2 2 244.382 2.711 20 0 BFADLP Nc1ccc(-c2ccc(C3([NH3+])CCC3)cc2)c[nH+]1 ZINC001236313414 979522009 /nfs/dbraw/zinc/52/20/09/979522009.db2.gz NYMSVKKTRUVLKB-UHFFFAOYSA-N 2 2 239.322 2.669 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)c1 ZINC001236417818 979590692 /nfs/dbraw/zinc/59/06/92/979590692.db2.gz DAFSWOZCBNBXNV-IUODEOHRSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)c1 ZINC001236417818 979590699 /nfs/dbraw/zinc/59/06/99/979590699.db2.gz DAFSWOZCBNBXNV-IUODEOHRSA-N 2 2 232.371 2.561 20 0 BFADLP C(C1CCC1)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649769 979688949 /nfs/dbraw/zinc/68/89/49/979688949.db2.gz ZLXBNNNZFZACQP-HNNXBMFYSA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCC1)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649769 979688950 /nfs/dbraw/zinc/68/89/50/979688950.db2.gz ZLXBNNNZFZACQP-HNNXBMFYSA-N 2 2 236.403 2.783 20 0 BFADLP F[C@@H]1CCCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238102300 980150684 /nfs/dbraw/zinc/15/06/84/980150684.db2.gz ASXCCBPFTRRITR-GFCCVEGCSA-N 2 2 247.317 2.658 20 0 BFADLP F[C@@H]1CCCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238102300 980150692 /nfs/dbraw/zinc/15/06/92/980150692.db2.gz ASXCCBPFTRRITR-GFCCVEGCSA-N 2 2 247.317 2.658 20 0 BFADLP C[C@H]1C[C@@H](CF)[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104233 980152512 /nfs/dbraw/zinc/15/25/12/980152512.db2.gz SYMVVPNLWQMPOB-FZMZJTMJSA-N 2 2 247.317 2.514 20 0 BFADLP C[C@H]1C[C@@H](CF)[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104233 980152516 /nfs/dbraw/zinc/15/25/16/980152516.db2.gz SYMVVPNLWQMPOB-FZMZJTMJSA-N 2 2 247.317 2.514 20 0 BFADLP C[C@@]1(F)CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104435 980157349 /nfs/dbraw/zinc/15/73/49/980157349.db2.gz VKNVKUHUPURRFW-CQSZACIVSA-N 2 2 247.317 2.658 20 0 BFADLP C[C@@]1(F)CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104435 980157352 /nfs/dbraw/zinc/15/73/52/980157352.db2.gz VKNVKUHUPURRFW-CQSZACIVSA-N 2 2 247.317 2.658 20 0 BFADLP c1cn2cc(-c3cccc4c3C[NH2+]C4)ccc2[nH+]1 ZINC001240218129 981165967 /nfs/dbraw/zinc/16/59/67/981165967.db2.gz BXTKOONJHMOGGH-UHFFFAOYSA-N 2 2 235.290 2.605 20 0 BFADLP c1cn2ccc(-c3cccc4c3C[NH2+]C4)cc2[nH+]1 ZINC001240510903 981436975 /nfs/dbraw/zinc/43/69/75/981436975.db2.gz VEBOJOUJVGNMLY-UHFFFAOYSA-N 2 2 235.290 2.605 20 0 BFADLP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001205667898 981829111 /nfs/dbraw/zinc/82/91/11/981829111.db2.gz RCOAIYIGXISTPK-QCEMKRCNSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1CCCC[N@H+]1C1CC1 ZINC001205667898 981829116 /nfs/dbraw/zinc/82/91/16/981829116.db2.gz RCOAIYIGXISTPK-QCEMKRCNSA-N 2 2 248.414 2.782 20 0 BFADLP C[NH+](C)Cc1ccc(-c2cc[nH+]c(N)c2)cc1F ZINC001241175886 982326329 /nfs/dbraw/zinc/32/63/29/982326329.db2.gz PPDPHXKFULTWOM-UHFFFAOYSA-N 2 2 245.301 2.532 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925485228 982544637 /nfs/dbraw/zinc/54/46/37/982544637.db2.gz MBDHIYYBUBVBIC-APIJFGDWSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925485228 982544644 /nfs/dbraw/zinc/54/46/44/982544644.db2.gz MBDHIYYBUBVBIC-APIJFGDWSA-N 2 2 236.403 2.782 20 0 BFADLP CCc1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)[nH+]c1 ZINC001354071463 983134414 /nfs/dbraw/zinc/13/44/14/983134414.db2.gz RNUSDEAUSFLDFP-ZDUSSCGKSA-N 2 2 245.370 2.540 20 0 BFADLP CCc1ccc(NC[C@@H]2CC[N@H+](C3CC3)C2)[nH+]c1 ZINC001354071463 983134421 /nfs/dbraw/zinc/13/44/21/983134421.db2.gz RNUSDEAUSFLDFP-ZDUSSCGKSA-N 2 2 245.370 2.540 20 0 BFADLP CCc1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)[nH+]c1 ZINC001354119640 983162930 /nfs/dbraw/zinc/16/29/30/983162930.db2.gz JHFDANHRJYMYPH-DGCLKSJQSA-N 2 2 233.359 2.539 20 0 BFADLP CCc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]c1 ZINC001354119640 983162937 /nfs/dbraw/zinc/16/29/37/983162937.db2.gz JHFDANHRJYMYPH-DGCLKSJQSA-N 2 2 233.359 2.539 20 0 BFADLP CC[C@@H](C)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201502758 983272896 /nfs/dbraw/zinc/27/28/96/983272896.db2.gz QFQAEHGHTGIRHU-CYBMUJFWSA-N 2 2 248.370 2.971 20 0 BFADLP COC(=[NH2+])c1cccc(-c2c[nH+]c(N)cc2C)c1 ZINC001242090690 983334976 /nfs/dbraw/zinc/33/49/76/983334976.db2.gz QYMMDQUHMDQGLS-UHFFFAOYSA-N 2 2 241.294 2.611 20 0 BFADLP CC(C)CC[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201613318 983373605 /nfs/dbraw/zinc/37/36/05/983373605.db2.gz BAMPCDBYWWFSSF-UHFFFAOYSA-N 2 2 248.370 2.971 20 0 BFADLP CC[N@H+](CCc1ccccc1)C1CC[NH+](C)CC1 ZINC001201605127 983374455 /nfs/dbraw/zinc/37/44/55/983374455.db2.gz YGAOHQRMLHIRGX-UHFFFAOYSA-N 2 2 246.398 2.645 20 0 BFADLP CC[N@@H+](CCc1ccccc1)C1CC[NH+](C)CC1 ZINC001201605127 983374464 /nfs/dbraw/zinc/37/44/64/983374464.db2.gz YGAOHQRMLHIRGX-UHFFFAOYSA-N 2 2 246.398 2.645 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001200837994 983393374 /nfs/dbraw/zinc/39/33/74/983393374.db2.gz KGSWMECQLIEGRE-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001200837994 983393379 /nfs/dbraw/zinc/39/33/79/983393379.db2.gz KGSWMECQLIEGRE-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001200837995 983394421 /nfs/dbraw/zinc/39/44/21/983394421.db2.gz KGSWMECQLIEGRE-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001200837995 983394429 /nfs/dbraw/zinc/39/44/29/983394429.db2.gz KGSWMECQLIEGRE-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CCCCCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201756597 983457860 /nfs/dbraw/zinc/45/78/60/983457860.db2.gz OIKBVCBSZYZRGX-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001201756597 983457862 /nfs/dbraw/zinc/45/78/62/983457862.db2.gz OIKBVCBSZYZRGX-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP C/C(=C\C=C\[NH3+])C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242691497 984051327 /nfs/dbraw/zinc/05/13/27/984051327.db2.gz HRWXSIXFTKDIJO-GPKRLTEHSA-N 2 2 232.371 2.980 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@@H](F)C2)CC1 ZINC001257214596 984853604 /nfs/dbraw/zinc/85/36/04/984853604.db2.gz HPYOKWSSFVKIPP-CYBMUJFWSA-N 2 2 242.382 2.683 20 0 BFADLP CC(C)[NH+]1CCC([N@H+]2CCCC[C@@H](F)C2)CC1 ZINC001257214596 984853607 /nfs/dbraw/zinc/85/36/07/984853607.db2.gz HPYOKWSSFVKIPP-CYBMUJFWSA-N 2 2 242.382 2.683 20 0 BFADLP CCC[C@@H](C)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001257320579 984892578 /nfs/dbraw/zinc/89/25/78/984892578.db2.gz KLROLWLNYFVOOZ-GFCCVEGCSA-N 2 2 212.381 2.591 20 0 BFADLP CCC[C@@H](C)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001257320579 984892584 /nfs/dbraw/zinc/89/25/84/984892584.db2.gz KLROLWLNYFVOOZ-GFCCVEGCSA-N 2 2 212.381 2.591 20 0 BFADLP Cc1ccc(-c2ccc(C[NH2+][C@@H](C)C[NH3+])o2)cc1 ZINC001579647811 986167747 /nfs/dbraw/zinc/16/77/47/986167747.db2.gz HUBWECFGAVSJBE-LBPRGKRZSA-N 2 2 244.338 2.692 20 0 BFADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](C)[NH3+])o1 ZINC001579678281 986176698 /nfs/dbraw/zinc/17/66/98/986176698.db2.gz KCLICIUOGUTIKR-WZRBSPASSA-N 2 2 236.359 2.708 20 0 BFADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](C)[NH3+])o1 ZINC001579678281 986176707 /nfs/dbraw/zinc/17/67/07/986176707.db2.gz KCLICIUOGUTIKR-WZRBSPASSA-N 2 2 236.359 2.708 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258818045 986279435 /nfs/dbraw/zinc/27/94/35/986279435.db2.gz FVCRFSXBAHVAKQ-WCQYABFASA-N 2 2 233.359 2.586 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CCC[C@H](C)C1)C2 ZINC001258818045 986279448 /nfs/dbraw/zinc/27/94/48/986279448.db2.gz FVCRFSXBAHVAKQ-WCQYABFASA-N 2 2 233.359 2.586 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H](C)C1 ZINC001258826508 986286765 /nfs/dbraw/zinc/28/67/65/986286765.db2.gz DHRIWRPJLXQTMS-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@@H](C)C1 ZINC001258826508 986286778 /nfs/dbraw/zinc/28/67/78/986286778.db2.gz DHRIWRPJLXQTMS-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H](C)C1 ZINC001258826505 986287187 /nfs/dbraw/zinc/28/71/87/986287187.db2.gz DHRIWRPJLXQTMS-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@H](C)C1 ZINC001258826505 986287199 /nfs/dbraw/zinc/28/71/99/986287199.db2.gz DHRIWRPJLXQTMS-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CC=CCC2)C1 ZINC001462503854 986409531 /nfs/dbraw/zinc/40/95/31/986409531.db2.gz NBCUTXMAVKTAQD-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CC=CCC2)C1 ZINC001462503854 986409542 /nfs/dbraw/zinc/40/95/42/986409542.db2.gz NBCUTXMAVKTAQD-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP C[N@H+](Cc1ccccc1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254853870 986732111 /nfs/dbraw/zinc/73/21/11/986732111.db2.gz SXTBWRSPDLNUKN-INIZCTEOSA-N 2 2 244.382 2.603 20 0 BFADLP C[N@@H+](Cc1ccccc1)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254853870 986732117 /nfs/dbraw/zinc/73/21/17/986732117.db2.gz SXTBWRSPDLNUKN-INIZCTEOSA-N 2 2 244.382 2.603 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000381611057 986736867 /nfs/dbraw/zinc/73/68/67/986736867.db2.gz SISQLOWEDDYRJD-RDBSUJKOSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000381611057 986736875 /nfs/dbraw/zinc/73/68/75/986736875.db2.gz SISQLOWEDDYRJD-RDBSUJKOSA-N 2 2 224.392 2.637 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@@H](F)C1 ZINC001255957695 987099147 /nfs/dbraw/zinc/09/91/47/987099147.db2.gz UTERDNIVEWMUNC-UONOGXRCSA-N 2 2 244.398 2.931 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@@H](F)C1 ZINC001255957695 987099150 /nfs/dbraw/zinc/09/91/50/987099150.db2.gz UTERDNIVEWMUNC-UONOGXRCSA-N 2 2 244.398 2.931 20 0 BFADLP Cc1cn2c(cccc2-c2ccc3c[nH+]cn3c2)[nH+]1 ZINC001245897831 987117763 /nfs/dbraw/zinc/11/77/63/987117763.db2.gz HTHYKPZQOMVURM-UHFFFAOYSA-N 2 2 248.289 2.957 20 0 BFADLP CCCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246078206 987369860 /nfs/dbraw/zinc/36/98/60/987369860.db2.gz AEPIHZLXVGAFRI-NWINJMCUSA-N 2 2 242.382 2.635 20 0 BFADLP CCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246088494 987389199 /nfs/dbraw/zinc/38/91/99/987389199.db2.gz UYPASPLKWHDRBE-AVGNSLFASA-N 2 2 230.371 2.635 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]C(C)(C)c2ccccc2)C[NH2+]1 ZINC001246094718 987405441 /nfs/dbraw/zinc/40/54/41/987405441.db2.gz XTVNPHXQXRQXJS-JSGCOSHPSA-N 2 2 232.371 2.652 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246169223 987530446 /nfs/dbraw/zinc/53/04/46/987530446.db2.gz HQMCTRKOKWORPG-GDBMZVCRSA-N 2 2 246.398 2.945 20 0 BFADLP CCCc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246233214 987630276 /nfs/dbraw/zinc/63/02/76/987630276.db2.gz VJAUWOMPCLOWCR-BBRMVZONSA-N 2 2 246.398 2.869 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246240089 987638571 /nfs/dbraw/zinc/63/85/71/987638571.db2.gz LHFLYCGOGPHLIQ-QEJZJMRPSA-N 2 2 232.371 2.868 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccccc2)C2CCC2)C[NH2+]1 ZINC001246288602 987680614 /nfs/dbraw/zinc/68/06/14/987680614.db2.gz MAFIVLZNAHDTSF-WQVCFCJDSA-N 2 2 244.382 2.868 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC2)C[NH2+]1 ZINC001246309483 987709751 /nfs/dbraw/zinc/70/97/51/987709751.db2.gz CDBSXIMBRFSOKB-ZFWWWQNUSA-N 2 2 244.382 2.796 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[NH2+][C@@H](C)C1 ZINC001246317408 987724761 /nfs/dbraw/zinc/72/47/61/987724761.db2.gz NNBKBZRMQFOBER-MELADBBJSA-N 2 2 232.371 2.704 20 0 BFADLP c1cc2ccc(C[NH2+][C@@H]3CCCC[NH2+]C3)cc2o1 ZINC001246325296 987731813 /nfs/dbraw/zinc/73/18/13/987731813.db2.gz IYULJFYIGMOSDR-CQSZACIVSA-N 2 2 244.338 2.665 20 0 BFADLP CCCC[C@H](CCC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246337042 987744227 /nfs/dbraw/zinc/74/42/27/987744227.db2.gz QGEJPJXZZYOOMH-STQMWFEESA-N 2 2 244.448 2.640 20 0 BFADLP Cc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246353941 987760284 /nfs/dbraw/zinc/76/02/84/987760284.db2.gz XTKLIRUZAHTJGP-WCQYABFASA-N 2 2 236.334 2.537 20 0 BFADLP Fc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246372877 987775099 /nfs/dbraw/zinc/77/50/99/987775099.db2.gz OKJYYBFNWAAFGD-IAQYHMDHSA-N 2 2 248.345 2.545 20 0 BFADLP Fc1cccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246397804 987783166 /nfs/dbraw/zinc/78/31/66/987783166.db2.gz CGVWOGXHRBMJSX-GJZGRUSLSA-N 2 2 248.345 2.618 20 0 BFADLP Fc1cccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246397806 987784261 /nfs/dbraw/zinc/78/42/61/987784261.db2.gz CGVWOGXHRBMJSX-HUUCEWRRSA-N 2 2 248.345 2.618 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C)c1 ZINC001246469182 987829476 /nfs/dbraw/zinc/82/94/76/987829476.db2.gz ADBGSAJWWSPPLY-LSDHHAIUSA-N 2 2 232.371 2.788 20 0 BFADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@H](C[NH3+])c3ccccc3)C[C@@H]21 ZINC001246505492 987859736 /nfs/dbraw/zinc/85/97/36/987859736.db2.gz CHWJPKSSGSITTJ-LXTVHRRPSA-N 2 2 244.382 2.711 20 0 BFADLP CC(C)[N@H+](Cc1ccccc1)[C@H]1C[NH2+][C@H](C)C1 ZINC001246521373 987869011 /nfs/dbraw/zinc/86/90/11/987869011.db2.gz OZSPDIZXGJTCTR-UKRRQHHQSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[N@@H+](Cc1ccccc1)[C@H]1C[NH2+][C@H](C)C1 ZINC001246521373 987869015 /nfs/dbraw/zinc/86/90/15/987869015.db2.gz OZSPDIZXGJTCTR-UKRRQHHQSA-N 2 2 232.371 2.647 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+]2CCc3ccccc3[C@@H]2C)C[NH2+]1 ZINC001246544877 987917297 /nfs/dbraw/zinc/91/72/97/987917297.db2.gz DAYGAUYLLIVDMG-IPYPFGDCSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+]2CCc3ccccc3[C@@H]2C)C[NH2+]1 ZINC001246544877 987917306 /nfs/dbraw/zinc/91/73/06/987917306.db2.gz DAYGAUYLLIVDMG-IPYPFGDCSA-N 2 2 244.382 2.746 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001246568689 988041218 /nfs/dbraw/zinc/04/12/18/988041218.db2.gz AMDTWWADBJFCOH-RDBSUJKOSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001246568689 988041231 /nfs/dbraw/zinc/04/12/31/988041231.db2.gz AMDTWWADBJFCOH-RDBSUJKOSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](CCC)[N@@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246583650 988123950 /nfs/dbraw/zinc/12/39/50/988123950.db2.gz KHAXCQPLCANLLX-XQQFMLRXSA-N 2 2 230.371 2.716 20 0 BFADLP CCCC[C@H](CCC)[N@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246583650 988123961 /nfs/dbraw/zinc/12/39/61/988123961.db2.gz KHAXCQPLCANLLX-XQQFMLRXSA-N 2 2 230.371 2.716 20 0 BFADLP CCC[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246621072 988269588 /nfs/dbraw/zinc/26/95/88/988269588.db2.gz SOBOOKFBIWDFIE-KCXAZCMYSA-N 2 2 244.382 2.746 20 0 BFADLP CCC[C@@H](C)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246621072 988269599 /nfs/dbraw/zinc/26/95/99/988269599.db2.gz SOBOOKFBIWDFIE-KCXAZCMYSA-N 2 2 244.382 2.746 20 0 BFADLP CCCC[C@@H](CCC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655421 988388661 /nfs/dbraw/zinc/38/86/61/988388661.db2.gz LILZRTGBFBEGRI-BFHYXJOUSA-N 2 2 224.392 2.768 20 0 BFADLP CCCC[C@@H](CCC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655421 988388669 /nfs/dbraw/zinc/38/86/69/988388669.db2.gz LILZRTGBFBEGRI-BFHYXJOUSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3C[C@@H]2C)C[NH2+]1 ZINC001246867810 988626504 /nfs/dbraw/zinc/62/65/04/988626504.db2.gz JUZCCSKUGAGHSY-DVOMOZLQSA-N 2 2 244.382 2.574 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3C[C@@H]2C)C[NH2+]1 ZINC001246867810 988626508 /nfs/dbraw/zinc/62/65/08/988626508.db2.gz JUZCCSKUGAGHSY-DVOMOZLQSA-N 2 2 244.382 2.574 20 0 BFADLP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@@H]2CC[NH2+]C2)c1 ZINC001246946063 988780612 /nfs/dbraw/zinc/78/06/12/988780612.db2.gz ZCOVOVDRISWLJP-CVEARBPZSA-N 2 2 244.382 2.802 20 0 BFADLP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@@H]2CC[NH2+]C2)c1 ZINC001246946063 988780620 /nfs/dbraw/zinc/78/06/20/988780620.db2.gz ZCOVOVDRISWLJP-CVEARBPZSA-N 2 2 244.382 2.802 20 0 BFADLP C[C@@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246957758 988784990 /nfs/dbraw/zinc/78/49/90/988784990.db2.gz CMFWZMUJBALQHP-CJNGLKHVSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246957758 988785000 /nfs/dbraw/zinc/78/50/00/988785000.db2.gz CMFWZMUJBALQHP-CJNGLKHVSA-N 2 2 244.382 2.792 20 0 BFADLP C1CCC([N@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246980086 988810083 /nfs/dbraw/zinc/81/00/83/988810083.db2.gz QWPONGUXTHSDMZ-HNNXBMFYSA-N 2 2 236.403 2.926 20 0 BFADLP C1CCC([N@@H+]([C@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246980086 988810086 /nfs/dbraw/zinc/81/00/86/988810086.db2.gz QWPONGUXTHSDMZ-HNNXBMFYSA-N 2 2 236.403 2.926 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+](C)[C@@H]2CCc3ccccc32)C[NH2+]1 ZINC001247002341 988836593 /nfs/dbraw/zinc/83/65/93/988836593.db2.gz SYQRKSOWAPAAIE-IVMMDQJWSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C[NH2+]1 ZINC001247002341 988836594 /nfs/dbraw/zinc/83/65/94/988836594.db2.gz SYQRKSOWAPAAIE-IVMMDQJWSA-N 2 2 244.382 2.746 20 0 BFADLP CCc1ccc(NC[C@@H]2CCC[N@@H+](CC)C2)[nH+]c1 ZINC001515407754 989043781 /nfs/dbraw/zinc/04/37/81/989043781.db2.gz NGIHOSIHVCNPNQ-AWEZNQCLSA-N 2 2 247.386 2.788 20 0 BFADLP CCc1ccc(NC[C@@H]2CCC[N@H+](CC)C2)[nH+]c1 ZINC001515407754 989043797 /nfs/dbraw/zinc/04/37/97/989043797.db2.gz NGIHOSIHVCNPNQ-AWEZNQCLSA-N 2 2 247.386 2.788 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)Cc1csc(C)c1 ZINC001248804039 989153444 /nfs/dbraw/zinc/15/34/44/989153444.db2.gz JSXDASSBMFWIMH-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1csc(C)c1 ZINC001248804039 989153460 /nfs/dbraw/zinc/15/34/60/989153460.db2.gz JSXDASSBMFWIMH-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC001326038161 989339039 /nfs/dbraw/zinc/33/90/39/989339039.db2.gz ZYTGBMYQAMTGCN-OAHLLOKOSA-N 2 2 232.371 2.572 20 0 BFADLP C[NH2+][C@@H](C)CC[NH2+]Cc1c(F)cccc1Cl ZINC001326074641 989365429 /nfs/dbraw/zinc/36/54/29/989365429.db2.gz GVPSYHHDEUPNGF-VIFPVBQESA-N 2 2 244.741 2.567 20 0 BFADLP CCc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC001120883322 989948080 /nfs/dbraw/zinc/94/80/80/989948080.db2.gz FPJSLUZWROQFLH-ZIAGYGMSSA-N 2 2 245.370 2.683 20 0 BFADLP CCc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC001120883322 989948088 /nfs/dbraw/zinc/94/80/88/989948088.db2.gz FPJSLUZWROQFLH-ZIAGYGMSSA-N 2 2 245.370 2.683 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C/C=C\c1ccccc1 ZINC001308292288 990958337 /nfs/dbraw/zinc/95/83/37/990958337.db2.gz GKVDJWMFHMHJBA-WSVPDTOYSA-N 2 2 244.382 2.774 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C/C=C\c1ccccc1 ZINC001308292288 990958344 /nfs/dbraw/zinc/95/83/44/990958344.db2.gz GKVDJWMFHMHJBA-WSVPDTOYSA-N 2 2 244.382 2.774 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C/C=C/c1ccccc1 ZINC001308292286 990958519 /nfs/dbraw/zinc/95/85/19/990958519.db2.gz GKVDJWMFHMHJBA-RNOHYWCBSA-N 2 2 244.382 2.774 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C/C=C/c1ccccc1 ZINC001308292286 990958524 /nfs/dbraw/zinc/95/85/24/990958524.db2.gz GKVDJWMFHMHJBA-RNOHYWCBSA-N 2 2 244.382 2.774 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001258152038 991033883 /nfs/dbraw/zinc/03/38/83/991033883.db2.gz MXMWTYBQFNIMSN-NFAWXSAZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC001258152038 991033893 /nfs/dbraw/zinc/03/38/93/991033893.db2.gz MXMWTYBQFNIMSN-NFAWXSAZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC([NH2+]CCOc2cc[nH+]cc2)C[C@@H](C)C1 ZINC001258164159 991055540 /nfs/dbraw/zinc/05/55/40/991055540.db2.gz QVZOGRFMKOFUNM-STQMWFEESA-N 2 2 248.370 2.875 20 0 BFADLP Cc1[nH+]cn([C@@H]2CCCC(C)(C)C2)c1CC[NH3+] ZINC001258273778 991198175 /nfs/dbraw/zinc/19/81/75/991198175.db2.gz KKNYUTHRCIKBQU-GFCCVEGCSA-N 2 2 235.375 2.834 20 0 BFADLP C[N@H+](C1CC[NH+](C)CC1)[C@H]1CCCC(C)(C)C1 ZINC001258282619 991211907 /nfs/dbraw/zinc/21/19/07/991211907.db2.gz IRAARIMJXXQDOM-AWEZNQCLSA-N 2 2 238.419 2.981 20 0 BFADLP C[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCCC(C)(C)C1 ZINC001258282619 991211919 /nfs/dbraw/zinc/21/19/19/991211919.db2.gz IRAARIMJXXQDOM-AWEZNQCLSA-N 2 2 238.419 2.981 20 0 BFADLP CCCCC[C@H](CC)n1cc[nH+]c1CC[NH3+] ZINC001258428911 991360174 /nfs/dbraw/zinc/36/01/74/991360174.db2.gz SBAZVJASOXSXFX-LBPRGKRZSA-N 2 2 223.364 2.916 20 0 BFADLP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001474660036 991404515 /nfs/dbraw/zinc/40/45/15/991404515.db2.gz WOGDCILKLYFOOR-QCEMKRCNSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001474660036 991404521 /nfs/dbraw/zinc/40/45/21/991404521.db2.gz WOGDCILKLYFOOR-QCEMKRCNSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H](CC1CC1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001258468016 991431740 /nfs/dbraw/zinc/43/17/40/991431740.db2.gz QKRNZDLVMFHLJC-DGCLKSJQSA-N 2 2 233.359 2.711 20 0 BFADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@@H]1C ZINC001140020711 991490944 /nfs/dbraw/zinc/49/09/44/991490944.db2.gz ANJFQDBKOGENTH-LBPRGKRZSA-N 2 2 241.338 2.775 20 0 BFADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@@H]1C ZINC001140020711 991490952 /nfs/dbraw/zinc/49/09/52/991490952.db2.gz ANJFQDBKOGENTH-LBPRGKRZSA-N 2 2 241.338 2.775 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000083427972 991669915 /nfs/dbraw/zinc/66/99/15/991669915.db2.gz ZTPMEODXDYWSPW-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000083427972 991669928 /nfs/dbraw/zinc/66/99/28/991669928.db2.gz ZTPMEODXDYWSPW-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000083427973 991673289 /nfs/dbraw/zinc/67/32/89/991673289.db2.gz ZTPMEODXDYWSPW-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000083427973 991673294 /nfs/dbraw/zinc/67/32/94/991673294.db2.gz ZTPMEODXDYWSPW-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC001258772208 991740687 /nfs/dbraw/zinc/74/06/87/991740687.db2.gz KIMQEYHSBMWFEZ-TZMCWYRMSA-N 2 2 242.382 2.541 20 0 BFADLP CCC[NH+]1CCC([N@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC001258772208 991740692 /nfs/dbraw/zinc/74/06/92/991740692.db2.gz KIMQEYHSBMWFEZ-TZMCWYRMSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C1 ZINC001258826199 991849689 /nfs/dbraw/zinc/84/96/89/991849689.db2.gz BQEJNPMBKZHMRI-KBXIAJHMSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C1 ZINC001258826199 991849693 /nfs/dbraw/zinc/84/96/93/991849693.db2.gz BQEJNPMBKZHMRI-KBXIAJHMSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)C1 ZINC001258826199 991849701 /nfs/dbraw/zinc/84/97/01/991849701.db2.gz BQEJNPMBKZHMRI-KBXIAJHMSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)C1 ZINC001258826199 991849707 /nfs/dbraw/zinc/84/97/07/991849707.db2.gz BQEJNPMBKZHMRI-KBXIAJHMSA-N 2 2 236.403 2.591 20 0 BFADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+]1CCC(F)(F)C1 ZINC001258907300 991901908 /nfs/dbraw/zinc/90/19/08/991901908.db2.gz HZEANBGDHKHHFG-GFCCVEGCSA-N 2 2 248.361 2.838 20 0 BFADLP CC[NH+](CC)CCC[C@@H](C)[N@H+]1CCC(F)(F)C1 ZINC001258907300 991901919 /nfs/dbraw/zinc/90/19/19/991901919.db2.gz HZEANBGDHKHHFG-GFCCVEGCSA-N 2 2 248.361 2.838 20 0 BFADLP FC(F)CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001262206776 992802069 /nfs/dbraw/zinc/80/20/69/992802069.db2.gz LDTUEGSDMCLGKA-NEPJUHHUSA-N 2 2 246.345 2.638 20 0 BFADLP FC(F)CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001262206776 992802071 /nfs/dbraw/zinc/80/20/71/992802071.db2.gz LDTUEGSDMCLGKA-NEPJUHHUSA-N 2 2 246.345 2.638 20 0 BFADLP CCCC[C@@H](CCC)[NH2+]CCn1cc[nH+]c1 ZINC000381388866 993392659 /nfs/dbraw/zinc/39/26/59/993392659.db2.gz NMQRHOFGDDCNBD-CYBMUJFWSA-N 2 2 223.364 2.832 20 0 BFADLP CC(C)Oc1ccc[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000382434706 993459710 /nfs/dbraw/zinc/45/97/10/993459710.db2.gz UQARAPMTORGRBX-RYUDHWBXSA-N 2 2 249.358 2.551 20 0 BFADLP CCC1(C)CCC([NH2+][C@@H](CC[NH3+])C(F)F)CC1 ZINC001577205820 993547352 /nfs/dbraw/zinc/54/73/52/993547352.db2.gz ZMZDFMAXVPKIJH-AKJDGMEZSA-N 2 2 248.361 2.917 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC001577608488 993693312 /nfs/dbraw/zinc/69/33/12/993693312.db2.gz FLNNNLMJBLMEEK-HNNXBMFYSA-N 2 2 246.398 2.808 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC001577608488 993693321 /nfs/dbraw/zinc/69/33/21/993693321.db2.gz FLNNNLMJBLMEEK-HNNXBMFYSA-N 2 2 246.398 2.808 20 0 BFADLP Cc1[nH]c(C[NH+]2C3CCCC2CCC3)c[nH+]1 ZINC000724786117 994078458 /nfs/dbraw/zinc/07/84/58/994078458.db2.gz QORMZOGCUNXBNL-UHFFFAOYSA-N 2 2 219.332 2.625 20 0 BFADLP CCC(CC)C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000161044836 538913724 /nfs/dbraw/zinc/91/37/24/538913724.db2.gz IXIRAJMSHCHUDP-AWEZNQCLSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000161044836 538913726 /nfs/dbraw/zinc/91/37/26/538913726.db2.gz IXIRAJMSHCHUDP-AWEZNQCLSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC12CCC2 ZINC000337410452 187325056 /nfs/dbraw/zinc/32/50/56/187325056.db2.gz VTEKEXSHWOAQTR-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP Cn1c[nH+]c(CC[NH2+]CC2CCC(C)(C)CC2)c1 ZINC000313283422 398185669 /nfs/dbraw/zinc/18/56/69/398185669.db2.gz PIGOFRYYKMZLKK-UHFFFAOYSA-N 2 2 249.402 2.769 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000533361058 398187945 /nfs/dbraw/zinc/18/79/45/398187945.db2.gz WZSAQJYAJJFWTP-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000533361058 398187952 /nfs/dbraw/zinc/18/79/52/398187952.db2.gz WZSAQJYAJJFWTP-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP CS[C@@H](C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000336693536 398193681 /nfs/dbraw/zinc/19/36/81/398193681.db2.gz LFZBUGSZDRPJQV-LBPRGKRZSA-N 2 2 238.400 2.664 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C[C@@H]1C ZINC000381121112 343987044 /nfs/dbraw/zinc/98/70/44/343987044.db2.gz IOJYOTPNCTVFTO-MJBXVCDLSA-N 2 2 226.408 2.598 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000359980474 168352817 /nfs/dbraw/zinc/35/28/17/168352817.db2.gz ZOYNJBSLWCFLPL-CYBMUJFWSA-N 2 2 235.375 2.646 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000359980474 168352820 /nfs/dbraw/zinc/35/28/20/168352820.db2.gz ZOYNJBSLWCFLPL-CYBMUJFWSA-N 2 2 235.375 2.646 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000367690132 168353094 /nfs/dbraw/zinc/35/30/94/168353094.db2.gz XITDLJKQJHHOBR-DZGCQCFKSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000367690132 168353095 /nfs/dbraw/zinc/35/30/95/168353095.db2.gz XITDLJKQJHHOBR-DZGCQCFKSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@@H](C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000421394058 192328717 /nfs/dbraw/zinc/32/87/17/192328717.db2.gz ZCLFRAWVGGXJCG-GFCCVEGCSA-N 2 2 220.360 2.958 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c(C)s1 ZINC000041119358 178226092 /nfs/dbraw/zinc/22/60/92/178226092.db2.gz NCWVQDSWPHFTRX-LLVKDONJSA-N 2 2 249.383 2.912 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cs1 ZINC000294208931 178226108 /nfs/dbraw/zinc/22/61/08/178226108.db2.gz MKXBCCZXYZUPQD-DGCLKSJQSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cs1 ZINC000294208931 178226109 /nfs/dbraw/zinc/22/61/09/178226109.db2.gz MKXBCCZXYZUPQD-DGCLKSJQSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cs1 ZINC000294260243 178247296 /nfs/dbraw/zinc/24/72/96/178247296.db2.gz QWKXTRSLFWLJQM-LBPRGKRZSA-N 2 2 249.383 2.994 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235711315 398255650 /nfs/dbraw/zinc/25/56/50/398255650.db2.gz XWEJJANHLRBQAC-HZMBPMFUSA-N 2 2 244.338 2.520 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1C[C@H]([NH3+])[C@@H](C)C1 ZINC000235711315 398255656 /nfs/dbraw/zinc/25/56/56/398255656.db2.gz XWEJJANHLRBQAC-HZMBPMFUSA-N 2 2 244.338 2.520 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000344359642 136231841 /nfs/dbraw/zinc/23/18/41/136231841.db2.gz PVTRTPYNVWXJHE-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000344359642 136231842 /nfs/dbraw/zinc/23/18/42/136231842.db2.gz PVTRTPYNVWXJHE-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CC2CCC1CC2 ZINC000381523723 398260479 /nfs/dbraw/zinc/26/04/79/398260479.db2.gz NJJXSGXXBJYUDB-VXGQWTEUSA-N 2 2 247.386 2.688 20 0 BFADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)o2)CC1 ZINC000035013366 342733462 /nfs/dbraw/zinc/73/34/62/342733462.db2.gz AOWNMWBTSNGMIH-GFCCVEGCSA-N 2 2 236.359 2.723 20 0 BFADLP CCC(CC)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000053345100 168386922 /nfs/dbraw/zinc/38/69/22/168386922.db2.gz AKBFIESHFJAUQQ-UHFFFAOYSA-N 2 2 234.387 2.897 20 0 BFADLP CCC(CC)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000053345100 168386924 /nfs/dbraw/zinc/38/69/24/168386924.db2.gz AKBFIESHFJAUQQ-UHFFFAOYSA-N 2 2 234.387 2.897 20 0 BFADLP CCC(CC)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000309938453 168389022 /nfs/dbraw/zinc/38/90/22/168389022.db2.gz AQOZNYRYIMEGNA-CQSZACIVSA-N 2 2 224.392 2.782 20 0 BFADLP CCC(CC)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000309938453 168389024 /nfs/dbraw/zinc/38/90/24/168389024.db2.gz AQOZNYRYIMEGNA-CQSZACIVSA-N 2 2 224.392 2.782 20 0 BFADLP CCC(CC)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000053485689 168388571 /nfs/dbraw/zinc/38/85/71/168388571.db2.gz FAKYGMJRFHPNCE-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000053343397 168388589 /nfs/dbraw/zinc/38/85/89/168388589.db2.gz NDWHWNUCFUMIPV-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP CCC(CC)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000053343397 168388590 /nfs/dbraw/zinc/38/85/90/168388590.db2.gz NDWHWNUCFUMIPV-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040671850 538972473 /nfs/dbraw/zinc/97/24/73/538972473.db2.gz NDQGFOHXXDQTQM-HUUCEWRRSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040671850 538972474 /nfs/dbraw/zinc/97/24/74/538972474.db2.gz NDQGFOHXXDQTQM-HUUCEWRRSA-N 2 2 232.371 2.822 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672124 538972935 /nfs/dbraw/zinc/97/29/35/538972935.db2.gz NNKLNBFYSPLRMK-UONOGXRCSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672124 538972936 /nfs/dbraw/zinc/97/29/36/538972936.db2.gz NNKLNBFYSPLRMK-UONOGXRCSA-N 2 2 232.371 2.740 20 0 BFADLP Cn1cc[nH+]c1-c1ccc2c(c1)CCCC[C@@H]2[NH3+] ZINC000630052330 361921293 /nfs/dbraw/zinc/92/12/93/361921293.db2.gz IRBSZWISSODSLR-AWEZNQCLSA-N 2 2 241.338 2.813 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349130989 398293127 /nfs/dbraw/zinc/29/31/27/398293127.db2.gz OWJUHLPSVDFBJV-STQMWFEESA-N 2 2 235.375 2.646 20 0 BFADLP CCC[C@H](C)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349130989 398293129 /nfs/dbraw/zinc/29/31/29/398293129.db2.gz OWJUHLPSVDFBJV-STQMWFEESA-N 2 2 235.375 2.646 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000386613554 539013523 /nfs/dbraw/zinc/01/35/23/539013523.db2.gz MXUAKMWYJIRMOA-IOASZLSFSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000386613554 539013525 /nfs/dbraw/zinc/01/35/25/539013525.db2.gz MXUAKMWYJIRMOA-IOASZLSFSA-N 2 2 244.382 2.919 20 0 BFADLP CC(C)C([NH2+]CC[NH+]1CCC(C)CC1)C(C)C ZINC000382408791 539009072 /nfs/dbraw/zinc/00/90/72/539009072.db2.gz CNBXXXHQLJLFTG-UHFFFAOYSA-N 2 2 240.435 2.989 20 0 BFADLP C[N@H+](CC[NH2+]CC1(C)CCC1)Cc1ccccc1 ZINC000386644467 539013537 /nfs/dbraw/zinc/01/35/37/539013537.db2.gz AOVDGGSJQUSJQP-UHFFFAOYSA-N 2 2 246.398 2.898 20 0 BFADLP C[N@@H+](CC[NH2+]CC1(C)CCC1)Cc1ccccc1 ZINC000386644467 539013538 /nfs/dbraw/zinc/01/35/38/539013538.db2.gz AOVDGGSJQUSJQP-UHFFFAOYSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000386613548 539013499 /nfs/dbraw/zinc/01/34/99/539013499.db2.gz MXUAKMWYJIRMOA-DVOMOZLQSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000386613548 539013500 /nfs/dbraw/zinc/01/35/00/539013500.db2.gz MXUAKMWYJIRMOA-DVOMOZLQSA-N 2 2 244.382 2.919 20 0 BFADLP CCC(CC)(CC)C[NH2+]CC[NH+]1CCCC1 ZINC000381429339 539000308 /nfs/dbraw/zinc/00/03/08/539000308.db2.gz BAWBUXOZWQGZBO-UHFFFAOYSA-N 2 2 226.408 2.888 20 0 BFADLP CC(C)C[NH+](CC(C)C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000062948762 539017126 /nfs/dbraw/zinc/01/71/26/539017126.db2.gz ZIHKSLLNWOUPHT-KGLIPLIRSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C1CC([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000232536789 342856680 /nfs/dbraw/zinc/85/66/80/342856680.db2.gz LUYXXJPVZXTQNS-UHFFFAOYSA-N 2 2 235.375 2.688 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C(\C)Cl)[C@H](C)C1 ZINC000528417925 398326894 /nfs/dbraw/zinc/32/68/94/398326894.db2.gz VCMWOGSXCZWWHT-YPCNAFTDSA-N 2 2 244.810 2.791 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C(\C)Cl)[C@H](C)C1 ZINC000528417925 398326896 /nfs/dbraw/zinc/32/68/96/398326896.db2.gz VCMWOGSXCZWWHT-YPCNAFTDSA-N 2 2 244.810 2.791 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C(\C)Cl)[C@H](C)C1 ZINC000528417925 398326898 /nfs/dbraw/zinc/32/68/98/398326898.db2.gz VCMWOGSXCZWWHT-YPCNAFTDSA-N 2 2 244.810 2.791 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C(\C)Cl)[C@H](C)C1 ZINC000528417925 398326900 /nfs/dbraw/zinc/32/69/00/398326900.db2.gz VCMWOGSXCZWWHT-YPCNAFTDSA-N 2 2 244.810 2.791 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C)[NH+](C)C ZINC000449557711 398337847 /nfs/dbraw/zinc/33/78/47/398337847.db2.gz SKBIDPFOONJCQY-UGQVUOCMSA-N 2 2 246.398 2.718 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313272230 259332813 /nfs/dbraw/zinc/33/28/13/259332813.db2.gz QGCJZZVVVKHIRJ-ZDUSSCGKSA-N 2 2 243.354 2.622 20 0 BFADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000020189104 342975638 /nfs/dbraw/zinc/97/56/38/342975638.db2.gz PFTPPHTUBSTOQJ-CYBMUJFWSA-N 2 2 247.386 2.605 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000019960154 342964937 /nfs/dbraw/zinc/96/49/37/342964937.db2.gz VVPZYHGITYRGSU-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000019960154 342964939 /nfs/dbraw/zinc/96/49/39/342964939.db2.gz VVPZYHGITYRGSU-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448032119 259349270 /nfs/dbraw/zinc/34/92/70/259349270.db2.gz WANDWUXPMNMDPE-GXTWGEPZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448032119 259349272 /nfs/dbraw/zinc/34/92/72/259349272.db2.gz WANDWUXPMNMDPE-GXTWGEPZSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000129510241 343177806 /nfs/dbraw/zinc/17/78/06/343177806.db2.gz KLOKZIVCXHBSQV-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000130150679 343180441 /nfs/dbraw/zinc/18/04/41/343180441.db2.gz PLDQBGSWICENQC-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cs1 ZINC000168832410 343210622 /nfs/dbraw/zinc/21/06/22/343210622.db2.gz LVIYZIYQZLNJON-PSASIEDQSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cs1 ZINC000168832410 343210623 /nfs/dbraw/zinc/21/06/23/343210623.db2.gz LVIYZIYQZLNJON-PSASIEDQSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000625275757 343215475 /nfs/dbraw/zinc/21/54/75/343215475.db2.gz KHOXDNPSSSLIJE-CHWSQXEVSA-N 2 2 245.370 2.614 20 0 BFADLP Fc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996468 343329755 /nfs/dbraw/zinc/32/97/55/343329755.db2.gz QUYOHUSEXGDIIG-LSDHHAIUSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996468 343329758 /nfs/dbraw/zinc/32/97/58/343329758.db2.gz QUYOHUSEXGDIIG-LSDHHAIUSA-N 2 2 248.345 2.542 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCC12CC2 ZINC000584064643 343312701 /nfs/dbraw/zinc/31/27/01/343312701.db2.gz JBMBJQBCMNGVFW-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCC12CC2 ZINC000584064643 343312703 /nfs/dbraw/zinc/31/27/03/343312703.db2.gz JBMBJQBCMNGVFW-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)[C@H]([NH2+]CC[NH+](C)C)c1ccccc1 ZINC000035046578 187257008 /nfs/dbraw/zinc/25/70/08/187257008.db2.gz OWLXJXFJIZFESU-AWEZNQCLSA-N 2 2 220.360 2.535 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1 ZINC000037157979 343337341 /nfs/dbraw/zinc/33/73/41/343337341.db2.gz HONINRAKVCYRBL-STQMWFEESA-N 2 2 229.327 2.622 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1F ZINC000037157878 343337593 /nfs/dbraw/zinc/33/75/93/343337593.db2.gz PJUVGARTUDQSBD-VXGBXAGGSA-N 2 2 247.317 2.762 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000335647962 136304411 /nfs/dbraw/zinc/30/44/11/136304411.db2.gz XLQFGTJJMAHUOS-AWEZNQCLSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@@H]1C(F)F ZINC000348999994 136315001 /nfs/dbraw/zinc/31/50/01/136315001.db2.gz GPINFCFZULUBRB-NWDGAFQWSA-N 2 2 240.297 2.566 20 0 BFADLP CCC[C@H](C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000349413207 136345076 /nfs/dbraw/zinc/34/50/76/136345076.db2.gz DEMGPCYSLKJZPP-ZDUSSCGKSA-N 2 2 223.364 2.641 20 0 BFADLP CCC[C@H](C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349413207 136345077 /nfs/dbraw/zinc/34/50/77/136345077.db2.gz DEMGPCYSLKJZPP-ZDUSSCGKSA-N 2 2 223.364 2.641 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)[C@@H]1CC1(C)C ZINC000397833788 262936719 /nfs/dbraw/zinc/93/67/19/262936719.db2.gz SHFBOUNUMDWCQD-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)[C@@H]1CC1(C)C ZINC000397833788 262936721 /nfs/dbraw/zinc/93/67/21/262936721.db2.gz SHFBOUNUMDWCQD-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1CC[N@H+](CC2(C)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000335703491 136335057 /nfs/dbraw/zinc/33/50/57/136335057.db2.gz KRRBLXWMRAAIJO-UONOGXRCSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1CC[N@@H+](CC2(C)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000335703491 136335058 /nfs/dbraw/zinc/33/50/58/136335058.db2.gz KRRBLXWMRAAIJO-UONOGXRCSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000349336956 136342402 /nfs/dbraw/zinc/34/24/02/136342402.db2.gz YNNWRNPJVHBSPM-ZIAGYGMSSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@@H]1CCC[C@@H](C[N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000349336956 136342403 /nfs/dbraw/zinc/34/24/03/136342403.db2.gz YNNWRNPJVHBSPM-ZIAGYGMSSA-N 2 2 236.403 2.593 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)CCC2 ZINC000350067040 136353798 /nfs/dbraw/zinc/35/37/98/136353798.db2.gz CUTICTJVVXLJFR-FPMFFAJLSA-N 2 2 247.386 2.847 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000335888600 136358172 /nfs/dbraw/zinc/35/81/72/136358172.db2.gz VGQOBSDSSCWPHY-UHFFFAOYSA-N 2 2 247.386 2.619 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC2(C1)CCCCC2 ZINC000335888600 136358173 /nfs/dbraw/zinc/35/81/73/136358173.db2.gz VGQOBSDSSCWPHY-UHFFFAOYSA-N 2 2 247.386 2.619 20 0 BFADLP C[C@H](CCCC(F)(F)F)[NH2+][C@H](C)C[NH+](C)C ZINC000166691735 136363633 /nfs/dbraw/zinc/36/36/33/136363633.db2.gz CTIXKGXJTBCZPI-NXEZZACHSA-N 2 2 240.313 2.647 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000336886908 136376415 /nfs/dbraw/zinc/37/64/15/136376415.db2.gz CKLCNSZWEJTBJG-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000336886908 136376416 /nfs/dbraw/zinc/37/64/16/136376416.db2.gz CKLCNSZWEJTBJG-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000336886909 136376453 /nfs/dbraw/zinc/37/64/53/136376453.db2.gz CKLCNSZWEJTBJG-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000336886909 136376454 /nfs/dbraw/zinc/37/64/54/136376454.db2.gz CKLCNSZWEJTBJG-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313286814 343508956 /nfs/dbraw/zinc/50/89/56/343508956.db2.gz VSKSSZWTXUEOSS-JSGCOSHPSA-N 2 2 249.402 2.767 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000045045927 343522445 /nfs/dbraw/zinc/52/24/45/343522445.db2.gz MYKJIQPYQOZDNX-OAHLLOKOSA-N 2 2 232.371 2.604 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000045045927 343522446 /nfs/dbraw/zinc/52/24/46/343522446.db2.gz MYKJIQPYQOZDNX-OAHLLOKOSA-N 2 2 232.371 2.604 20 0 BFADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1C[C@H]1C ZINC000321731759 343528510 /nfs/dbraw/zinc/52/85/10/343528510.db2.gz XXGWZPITWHNWCC-RDBSUJKOSA-N 2 2 235.375 2.688 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccsc1 ZINC000050338256 343613702 /nfs/dbraw/zinc/61/37/02/343613702.db2.gz NGFSOWVFNHFLRL-WCQYABFASA-N 2 2 238.400 2.883 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccsc1 ZINC000050338256 343613703 /nfs/dbraw/zinc/61/37/03/343613703.db2.gz NGFSOWVFNHFLRL-WCQYABFASA-N 2 2 238.400 2.883 20 0 BFADLP CCC[C@H](C)CCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000625441238 343741209 /nfs/dbraw/zinc/74/12/09/343741209.db2.gz RRAIQIWALIQBGE-ZDUSSCGKSA-N 2 2 235.375 2.915 20 0 BFADLP CCC[C@H](C)CCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000625441238 343741211 /nfs/dbraw/zinc/74/12/11/343741211.db2.gz RRAIQIWALIQBGE-ZDUSSCGKSA-N 2 2 235.375 2.915 20 0 BFADLP CC(C)C[C@@H](C[NH2+]CC1(C)CCC1)[NH+](C)C ZINC000336650182 537819791 /nfs/dbraw/zinc/81/97/91/537819791.db2.gz DQABNRWZIYCHCW-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179730741 346994843 /nfs/dbraw/zinc/99/48/43/346994843.db2.gz VYZWBTGHFYFQNH-UHFFFAOYSA-N 2 2 243.354 2.955 20 0 BFADLP CC(C)C[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179730741 346994845 /nfs/dbraw/zinc/99/48/45/346994845.db2.gz VYZWBTGHFYFQNH-UHFFFAOYSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+](CC)CC)C1CCCC1 ZINC000387660321 346996667 /nfs/dbraw/zinc/99/66/67/346996667.db2.gz NAPNJNJAQULFCJ-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348090601 537831091 /nfs/dbraw/zinc/83/10/91/537831091.db2.gz WOZGPPUYUWRFID-HUUCEWRRSA-N 2 2 236.403 2.641 20 0 BFADLP CCC1CCC([N@H+](C)CC(C)(C)[NH3+])CC1 ZINC000042516991 344456415 /nfs/dbraw/zinc/45/64/15/344456415.db2.gz MDLFSIWAGBUDNA-UHFFFAOYSA-N 2 2 212.381 2.624 20 0 BFADLP CCC1CCC([N@@H+](C)CC(C)(C)[NH3+])CC1 ZINC000042516991 344456416 /nfs/dbraw/zinc/45/64/16/344456416.db2.gz MDLFSIWAGBUDNA-UHFFFAOYSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[N@H+](CC[NH2+]C(C)(C)C)C(C)C ZINC000042590327 344459924 /nfs/dbraw/zinc/45/99/24/344459924.db2.gz IDVSZQWEKQSMPD-UHFFFAOYSA-N 2 2 214.397 2.741 20 0 BFADLP CC(C)C[N@@H+](CC[NH2+]C(C)(C)C)C(C)C ZINC000042590327 344459927 /nfs/dbraw/zinc/45/99/27/344459927.db2.gz IDVSZQWEKQSMPD-UHFFFAOYSA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000043327620 344489247 /nfs/dbraw/zinc/48/92/47/344489247.db2.gz XXJZJYOEUKOOBH-MNOVXSKESA-N 2 2 224.373 2.541 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccs1 ZINC000043327622 344489270 /nfs/dbraw/zinc/48/92/70/344489270.db2.gz XXJZJYOEUKOOBH-QWRGUYRKSA-N 2 2 224.373 2.541 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)n1C ZINC000577888464 344645259 /nfs/dbraw/zinc/64/52/59/344645259.db2.gz UEWHQERFWDQTEX-COPLHBTASA-N 2 2 235.375 2.643 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152741305 344686764 /nfs/dbraw/zinc/68/67/64/344686764.db2.gz YJMJSAVMVCMWLL-STQMWFEESA-N 2 2 249.402 2.786 20 0 BFADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000152822222 344696964 /nfs/dbraw/zinc/69/69/64/344696964.db2.gz ULIIXSQYXQXSDL-CQSZACIVSA-N 2 2 247.386 2.540 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1(C)CC1 ZINC000153781600 344973089 /nfs/dbraw/zinc/97/30/89/344973089.db2.gz HFTPGHDCWXBXAN-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1(C)CC1 ZINC000153781600 344973091 /nfs/dbraw/zinc/97/30/91/344973091.db2.gz HFTPGHDCWXBXAN-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CCC(CC)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000153907406 345000790 /nfs/dbraw/zinc/00/07/90/345000790.db2.gz IBNSYUZGEJQEAD-UHFFFAOYSA-N 2 2 235.375 2.956 20 0 BFADLP Cc1ccsc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353222 345032503 /nfs/dbraw/zinc/03/25/03/345032503.db2.gz GNNOVJJAMIEREI-UHFFFAOYSA-N 2 2 249.383 2.823 20 0 BFADLP c1cn(CCCC[NH2+]Cc2ccsc2)c[nH+]1 ZINC000044353226 345032837 /nfs/dbraw/zinc/03/28/37/345032837.db2.gz DSOHCRRNYGINLD-UHFFFAOYSA-N 2 2 235.356 2.515 20 0 BFADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cccc[nH+]2)C1 ZINC000079927644 345059687 /nfs/dbraw/zinc/05/96/87/345059687.db2.gz BRAIFZGGPSTXDF-ZIAGYGMSSA-N 2 2 247.386 2.862 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000155981548 345115622 /nfs/dbraw/zinc/11/56/22/345115622.db2.gz LXQBERTVIKQGKG-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000155981548 345115623 /nfs/dbraw/zinc/11/56/23/345115623.db2.gz LXQBERTVIKQGKG-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP [NH3+]C1CC[NH+](Cc2cccc(C(F)F)c2)CC1 ZINC000156080236 345123404 /nfs/dbraw/zinc/12/34/04/345123404.db2.gz LVBHDYCTJBAKTF-UHFFFAOYSA-N 2 2 240.297 2.547 20 0 BFADLP CC(C)CC[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992929 345188003 /nfs/dbraw/zinc/18/80/03/345188003.db2.gz GBGPKMLLUNWYBY-SLTAFYQDSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)CC[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992929 345188004 /nfs/dbraw/zinc/18/80/04/345188004.db2.gz GBGPKMLLUNWYBY-SLTAFYQDSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156433915 345157697 /nfs/dbraw/zinc/15/76/97/345157697.db2.gz XJGWRWORZMGGAE-KBPBESRZSA-N 2 2 235.375 2.812 20 0 BFADLP CC(C)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156433915 345157699 /nfs/dbraw/zinc/15/76/99/345157699.db2.gz XJGWRWORZMGGAE-KBPBESRZSA-N 2 2 235.375 2.812 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000130163546 345269315 /nfs/dbraw/zinc/26/93/15/345269315.db2.gz SFRMBODFTMGUFQ-GXTWGEPZSA-N 2 2 220.360 2.677 20 0 BFADLP CC(C)c1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000158508946 345341937 /nfs/dbraw/zinc/34/19/37/345341937.db2.gz MILNGSXKYALGBG-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000158508946 345341940 /nfs/dbraw/zinc/34/19/40/345341940.db2.gz MILNGSXKYALGBG-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)CCC[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000159210831 345415897 /nfs/dbraw/zinc/41/58/97/345415897.db2.gz MWRSRXHKHSLTNC-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C1CCC1 ZINC000090847350 345577589 /nfs/dbraw/zinc/57/75/89/345577589.db2.gz NRDOTFWQOSTXPS-LBPRGKRZSA-N 2 2 218.344 2.711 20 0 BFADLP Cc1ccoc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073301 345615342 /nfs/dbraw/zinc/61/53/42/345615342.db2.gz GXNBLKRVBSJPJE-GFCCVEGCSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1ccoc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000092073301 345615345 /nfs/dbraw/zinc/61/53/45/345615345.db2.gz GXNBLKRVBSJPJE-GFCCVEGCSA-N 2 2 245.326 2.691 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000093052532 345655734 /nfs/dbraw/zinc/65/57/34/345655734.db2.gz ZNECSMIRTRBRNK-GDBMZVCRSA-N 2 2 248.414 2.795 20 0 BFADLP Cc1ccc(C)c([N@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000222896992 345748576 /nfs/dbraw/zinc/74/85/76/345748576.db2.gz KJGIDLCCXLBDCG-CQSZACIVSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1ccc(C)c([N@@H+](C)CC[C@H]2CC[NH2+]C2)c1 ZINC000222896992 345748581 /nfs/dbraw/zinc/74/85/81/345748581.db2.gz KJGIDLCCXLBDCG-CQSZACIVSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000628208261 345785769 /nfs/dbraw/zinc/78/57/69/345785769.db2.gz FVKMMAMTQOXDNO-HOCLYGCPSA-N 2 2 246.398 2.782 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000628208261 345785771 /nfs/dbraw/zinc/78/57/71/345785771.db2.gz FVKMMAMTQOXDNO-HOCLYGCPSA-N 2 2 246.398 2.782 20 0 BFADLP CC(C)Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094078090 187361448 /nfs/dbraw/zinc/36/14/48/187361448.db2.gz YBGPSLDLSCWUPV-BBRMVZONSA-N 2 2 246.398 2.898 20 0 BFADLP CC(C)(C[NH2+]CC1(C)CC1)[NH+]1CCCCC1 ZINC000381523140 346244772 /nfs/dbraw/zinc/24/47/72/346244772.db2.gz VJGCCEZGUPOASS-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(F)cc1 ZINC000020126847 259388778 /nfs/dbraw/zinc/38/87/78/259388778.db2.gz DZNAORWFCJKZGF-GFCCVEGCSA-N 2 2 236.334 2.572 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000122300873 179099133 /nfs/dbraw/zinc/09/91/33/179099133.db2.gz KEMHGWWQVMJQSV-DZGCQCFKSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000122300873 179099135 /nfs/dbraw/zinc/09/91/35/179099135.db2.gz KEMHGWWQVMJQSV-DZGCQCFKSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000623015322 346542166 /nfs/dbraw/zinc/54/21/66/346542166.db2.gz YGUNXVIDMLCDMB-ZYHUDNBSSA-N 2 2 240.297 2.566 20 0 BFADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC2CC2)[nH+]1 ZINC000362805602 179149305 /nfs/dbraw/zinc/14/93/05/179149305.db2.gz KFXYOFKZDDLQAS-CQSZACIVSA-N 2 2 245.370 2.676 20 0 BFADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC2CC2)[nH+]1 ZINC000362805602 179149306 /nfs/dbraw/zinc/14/93/06/179149306.db2.gz KFXYOFKZDDLQAS-CQSZACIVSA-N 2 2 245.370 2.676 20 0 BFADLP CC[C@@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182793107 347106387 /nfs/dbraw/zinc/10/63/87/347106387.db2.gz HUTPHRNJKNHAAE-CQSZACIVSA-N 2 2 235.375 2.928 20 0 BFADLP CC[C@@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182793107 347106390 /nfs/dbraw/zinc/10/63/90/347106390.db2.gz HUTPHRNJKNHAAE-CQSZACIVSA-N 2 2 235.375 2.928 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1C ZINC000358372597 179197942 /nfs/dbraw/zinc/19/79/42/179197942.db2.gz BZIVDIDZVRNMOT-IVMMDQJWSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1C ZINC000358372597 179197943 /nfs/dbraw/zinc/19/79/43/179197943.db2.gz BZIVDIDZVRNMOT-IVMMDQJWSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000359515897 179214641 /nfs/dbraw/zinc/21/46/41/179214641.db2.gz TXECCQQNYUQEJM-INIZCTEOSA-N 2 2 244.382 2.668 20 0 BFADLP Cc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000067500788 179281147 /nfs/dbraw/zinc/28/11/47/179281147.db2.gz FWSGSMOIPIBINI-CYBMUJFWSA-N 2 2 243.354 2.617 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000591867977 347708317 /nfs/dbraw/zinc/70/83/17/347708317.db2.gz VCXLCSKZGNBJDR-OAHLLOKOSA-N 2 2 241.338 2.720 20 0 BFADLP c1cn([C@@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000591867977 347708319 /nfs/dbraw/zinc/70/83/19/347708319.db2.gz VCXLCSKZGNBJDR-OAHLLOKOSA-N 2 2 241.338 2.720 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000531965855 323159438 /nfs/dbraw/zinc/15/94/38/323159438.db2.gz NMDSPPBWYZAVPW-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000531965855 323159439 /nfs/dbraw/zinc/15/94/39/323159439.db2.gz NMDSPPBWYZAVPW-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041064037 179321297 /nfs/dbraw/zinc/32/12/97/179321297.db2.gz IQNFDWMPRUHXHX-CYBMUJFWSA-N 2 2 229.327 2.542 20 0 BFADLP CC(C)c1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000082594619 347997147 /nfs/dbraw/zinc/99/71/47/347997147.db2.gz VNAHMBZKTKQWAR-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000082594619 347997155 /nfs/dbraw/zinc/99/71/55/347997155.db2.gz VNAHMBZKTKQWAR-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3CCC[C@@H]3F)c[nH+]c12 ZINC000336335078 179354725 /nfs/dbraw/zinc/35/47/25/179354725.db2.gz CTEAAEOLNAWCGB-QWHCGFSZSA-N 2 2 247.317 2.623 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)c[nH+]1 ZINC000595571781 348285016 /nfs/dbraw/zinc/28/50/16/348285016.db2.gz HRHVIKOTEOBSQV-UONOGXRCSA-N 2 2 231.343 2.629 20 0 BFADLP c1cn([C@@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)c[nH+]1 ZINC000595571781 348285018 /nfs/dbraw/zinc/28/50/18/348285018.db2.gz HRHVIKOTEOBSQV-UONOGXRCSA-N 2 2 231.343 2.629 20 0 BFADLP c1cn([C@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)c[nH+]1 ZINC000595571780 348285054 /nfs/dbraw/zinc/28/50/54/348285054.db2.gz HRHVIKOTEOBSQV-KGLIPLIRSA-N 2 2 231.343 2.629 20 0 BFADLP c1cn([C@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)c[nH+]1 ZINC000595571780 348285056 /nfs/dbraw/zinc/28/50/56/348285056.db2.gz HRHVIKOTEOBSQV-KGLIPLIRSA-N 2 2 231.343 2.629 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)c[nH+]1 ZINC000595571782 348285138 /nfs/dbraw/zinc/28/51/38/348285138.db2.gz HRHVIKOTEOBSQV-ZIAGYGMSSA-N 2 2 231.343 2.629 20 0 BFADLP c1cn([C@@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)c[nH+]1 ZINC000595571782 348285139 /nfs/dbraw/zinc/28/51/39/348285139.db2.gz HRHVIKOTEOBSQV-ZIAGYGMSSA-N 2 2 231.343 2.629 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]CC1(C(C)C)CC1 ZINC000397529010 362891519 /nfs/dbraw/zinc/89/15/19/362891519.db2.gz XNLCMMBXLWVVTB-UHFFFAOYSA-N 2 2 232.371 2.958 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C(C)(C)C ZINC000090846834 179695907 /nfs/dbraw/zinc/69/59/07/179695907.db2.gz RDEQURALZINKJR-LBPRGKRZSA-N 2 2 220.360 2.957 20 0 BFADLP CC[C@@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000248373307 349125896 /nfs/dbraw/zinc/12/58/96/349125896.db2.gz HWPMHOPADDCYHQ-MCIONIFRSA-N 2 2 224.392 2.732 20 0 BFADLP CC[C@@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000248373307 349125899 /nfs/dbraw/zinc/12/58/99/349125899.db2.gz HWPMHOPADDCYHQ-MCIONIFRSA-N 2 2 224.392 2.732 20 0 BFADLP CC[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000248373307 349125902 /nfs/dbraw/zinc/12/59/02/349125902.db2.gz HWPMHOPADDCYHQ-MCIONIFRSA-N 2 2 224.392 2.732 20 0 BFADLP CC[C@@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000248373307 349125905 /nfs/dbraw/zinc/12/59/05/349125905.db2.gz HWPMHOPADDCYHQ-MCIONIFRSA-N 2 2 224.392 2.732 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251666734 349189761 /nfs/dbraw/zinc/18/97/61/349189761.db2.gz CEPUJKUTXYPVTL-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251666734 349189764 /nfs/dbraw/zinc/18/97/64/349189764.db2.gz CEPUJKUTXYPVTL-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000093066425 350013403 /nfs/dbraw/zinc/01/34/03/350013403.db2.gz UBEUGLHLVXAJSJ-TZMCWYRMSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCSC(C)C)C1 ZINC000309162722 350113168 /nfs/dbraw/zinc/11/31/68/350113168.db2.gz NXOJFSJPKUMRRW-CYBMUJFWSA-N 2 2 244.448 2.590 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCSC(C)C)C1 ZINC000309162722 350113174 /nfs/dbraw/zinc/11/31/74/350113174.db2.gz NXOJFSJPKUMRRW-CYBMUJFWSA-N 2 2 244.448 2.590 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)C(C)(C)C)[NH+](C)C ZINC000131890607 191017626 /nfs/dbraw/zinc/01/76/26/191017626.db2.gz GOKIRHJAFLYNIL-CHWSQXEVSA-N 2 2 228.424 2.987 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000132357630 191031058 /nfs/dbraw/zinc/03/10/58/191031058.db2.gz KLDJABFMENNPOR-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+](CC[NH2+]C(C)(C)C)CCC(C)(C)C ZINC000053661272 490374857 /nfs/dbraw/zinc/37/48/57/490374857.db2.gz JGMZWSUEIMOLLG-UHFFFAOYSA-N 2 2 214.397 2.743 20 0 BFADLP C[N@@H+](CC[NH2+]C(C)(C)C)CCC(C)(C)C ZINC000053661272 490374862 /nfs/dbraw/zinc/37/48/62/490374862.db2.gz JGMZWSUEIMOLLG-UHFFFAOYSA-N 2 2 214.397 2.743 20 0 BFADLP CC(C)C[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037153955 191069624 /nfs/dbraw/zinc/06/96/24/191069624.db2.gz OOHMXFVNGCLHNU-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000346275273 180249032 /nfs/dbraw/zinc/24/90/32/180249032.db2.gz JEXQWXLGHNPRBN-OAHLLOKOSA-N 2 2 249.402 2.950 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000346275273 180249034 /nfs/dbraw/zinc/24/90/34/180249034.db2.gz JEXQWXLGHNPRBN-OAHLLOKOSA-N 2 2 249.402 2.950 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000270941800 180251182 /nfs/dbraw/zinc/25/11/82/180251182.db2.gz YUPSGOYUPRYTMS-UHFFFAOYSA-N 2 2 247.386 2.870 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000270941800 180251184 /nfs/dbraw/zinc/25/11/84/180251184.db2.gz YUPSGOYUPRYTMS-UHFFFAOYSA-N 2 2 247.386 2.870 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000346279524 180252129 /nfs/dbraw/zinc/25/21/29/180252129.db2.gz QUQIJECPUICXKE-CYBMUJFWSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000346279524 180252131 /nfs/dbraw/zinc/25/21/31/180252131.db2.gz QUQIJECPUICXKE-CYBMUJFWSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000336726997 180254142 /nfs/dbraw/zinc/25/41/42/180254142.db2.gz XWOLHWRRZUNVKT-FRRDWIJNSA-N 2 2 235.375 2.558 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000336726997 180254143 /nfs/dbraw/zinc/25/41/43/180254143.db2.gz XWOLHWRRZUNVKT-FRRDWIJNSA-N 2 2 235.375 2.558 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000336396231 180255082 /nfs/dbraw/zinc/25/50/82/180255082.db2.gz CHGKKWLZHYQLFN-GFCCVEGCSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000336396231 180255085 /nfs/dbraw/zinc/25/50/85/180255085.db2.gz CHGKKWLZHYQLFN-GFCCVEGCSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000336396242 180256639 /nfs/dbraw/zinc/25/66/39/180256639.db2.gz CHGKKWLZHYQLFN-LBPRGKRZSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000336396242 180256640 /nfs/dbraw/zinc/25/66/40/180256640.db2.gz CHGKKWLZHYQLFN-LBPRGKRZSA-N 2 2 235.375 2.560 20 0 BFADLP CC(C)C1CCC([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000054556301 350279437 /nfs/dbraw/zinc/27/94/37/350279437.db2.gz XHPKPFSYBCWVSJ-YMAMQOFZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C1CCC([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000054556301 350279441 /nfs/dbraw/zinc/27/94/41/350279441.db2.gz XHPKPFSYBCWVSJ-YMAMQOFZSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000336643065 350317981 /nfs/dbraw/zinc/31/79/81/350317981.db2.gz AMTLJGJRNUXFBF-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000068986624 350320214 /nfs/dbraw/zinc/32/02/14/350320214.db2.gz FZHPVJBPNQIJCB-OLZOCXBDSA-N 2 2 223.364 2.830 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427877910 191098164 /nfs/dbraw/zinc/09/81/64/191098164.db2.gz PLBXFSSUWHKDON-COMQUAJESA-N 2 2 247.386 2.612 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427870895 191099068 /nfs/dbraw/zinc/09/90/68/191099068.db2.gz ZDQCZERBGCGQCM-RDBSUJKOSA-N 2 2 247.386 2.756 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000328202610 350392143 /nfs/dbraw/zinc/39/21/43/350392143.db2.gz SJAAWGVCMIBNBA-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000328202610 350392148 /nfs/dbraw/zinc/39/21/48/350392148.db2.gz SJAAWGVCMIBNBA-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000328202612 350392379 /nfs/dbraw/zinc/39/23/79/350392379.db2.gz SJAAWGVCMIBNBA-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000328202612 350392382 /nfs/dbraw/zinc/39/23/82/350392382.db2.gz SJAAWGVCMIBNBA-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccoc1 ZINC000577482244 365963882 /nfs/dbraw/zinc/96/38/82/365963882.db2.gz VEUUMHYPFVCNDW-FZMZJTMJSA-N 2 2 230.311 2.630 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000070562192 350536258 /nfs/dbraw/zinc/53/62/58/350536258.db2.gz VLMUAUARXCRJEY-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337390918 350581532 /nfs/dbraw/zinc/58/15/32/350581532.db2.gz NKQUWMCBMOHVIF-TUVASFSCSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337390918 350581536 /nfs/dbraw/zinc/58/15/36/350581536.db2.gz NKQUWMCBMOHVIF-TUVASFSCSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337517620 350593257 /nfs/dbraw/zinc/59/32/57/350593257.db2.gz MWGZFXHAIYEQHG-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337517620 350593260 /nfs/dbraw/zinc/59/32/60/350593260.db2.gz MWGZFXHAIYEQHG-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394796505 350756597 /nfs/dbraw/zinc/75/65/97/350756597.db2.gz ZWIVDJPNNHHGIX-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394796505 350756600 /nfs/dbraw/zinc/75/66/00/350756600.db2.gz ZWIVDJPNNHHGIX-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000248534720 350861965 /nfs/dbraw/zinc/86/19/65/350861965.db2.gz VVPZYHGITYRGSU-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000248534720 350861967 /nfs/dbraw/zinc/86/19/67/350861967.db2.gz VVPZYHGITYRGSU-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000248533961 350862069 /nfs/dbraw/zinc/86/20/69/350862069.db2.gz UIYZXEBWUAYLDP-OCCSQVGLSA-N 2 2 248.370 2.527 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000248533961 350862072 /nfs/dbraw/zinc/86/20/72/350862072.db2.gz UIYZXEBWUAYLDP-OCCSQVGLSA-N 2 2 248.370 2.527 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000245780592 350827674 /nfs/dbraw/zinc/82/76/74/350827674.db2.gz CDKQLBZSMAJSPO-OCCSQVGLSA-N 2 2 248.370 2.731 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2occc21 ZINC000245780592 350827678 /nfs/dbraw/zinc/82/76/78/350827678.db2.gz CDKQLBZSMAJSPO-OCCSQVGLSA-N 2 2 248.370 2.731 20 0 BFADLP CCc1ccc[nH+]c1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623955224 350877606 /nfs/dbraw/zinc/87/76/06/350877606.db2.gz RLFSLRVCZRXBHR-CYBMUJFWSA-N 2 2 247.386 2.929 20 0 BFADLP CCc1ccc[nH+]c1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623955224 350877609 /nfs/dbraw/zinc/87/76/09/350877609.db2.gz RLFSLRVCZRXBHR-CYBMUJFWSA-N 2 2 247.386 2.929 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccsc1 ZINC000250321986 350878638 /nfs/dbraw/zinc/87/86/38/350878638.db2.gz NGFSOWVFNHFLRL-YPMHNXCESA-N 2 2 238.400 2.883 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccsc1 ZINC000250321986 350878643 /nfs/dbraw/zinc/87/86/43/350878643.db2.gz NGFSOWVFNHFLRL-YPMHNXCESA-N 2 2 238.400 2.883 20 0 BFADLP Cc1occc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000321071040 180542940 /nfs/dbraw/zinc/54/29/40/180542940.db2.gz NPZOCJTZYSKGNF-UHFFFAOYSA-N 2 2 236.359 2.550 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cnccc1C ZINC000271368349 351413884 /nfs/dbraw/zinc/41/38/84/351413884.db2.gz GISLUZAWOPKNMN-KGLIPLIRSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cnccc1C ZINC000271368349 351413887 /nfs/dbraw/zinc/41/38/87/351413887.db2.gz GISLUZAWOPKNMN-KGLIPLIRSA-N 2 2 247.386 2.525 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)C1(C)CCCC1 ZINC000414764681 351700972 /nfs/dbraw/zinc/70/09/72/351700972.db2.gz OQHSEEMBSVVPPV-LBPRGKRZSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)C1(C)CCCC1 ZINC000414764681 351700976 /nfs/dbraw/zinc/70/09/76/351700976.db2.gz OQHSEEMBSVVPPV-LBPRGKRZSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C1(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000638018480 351897236 /nfs/dbraw/zinc/89/72/36/351897236.db2.gz PIHGCBBSGWBCQV-CQSZACIVSA-N 2 2 247.386 2.956 20 0 BFADLP CC(C)C1(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000638018480 351897241 /nfs/dbraw/zinc/89/72/41/351897241.db2.gz PIHGCBBSGWBCQV-CQSZACIVSA-N 2 2 247.386 2.956 20 0 BFADLP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCn2cc[nH+]c2)CC1 ZINC000638297549 352129941 /nfs/dbraw/zinc/12/99/41/352129941.db2.gz GSXHZTQUCYWYPA-LSDHHAIUSA-N 2 2 247.386 2.998 20 0 BFADLP CCCC(CCC)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037157629 358468714 /nfs/dbraw/zinc/46/87/14/358468714.db2.gz GROKSLQXXLPYOD-GFCCVEGCSA-N 2 2 223.364 2.830 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C)C1CCCCC1 ZINC000037202021 358470490 /nfs/dbraw/zinc/47/04/90/358470490.db2.gz YKHXVHUBHXRJIJ-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1C ZINC000044390454 352652472 /nfs/dbraw/zinc/65/24/72/352652472.db2.gz KPKXGVAJNYRVFE-OAHLLOKOSA-N 2 2 232.371 2.617 20 0 BFADLP Cc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1C ZINC000044390454 352652478 /nfs/dbraw/zinc/65/24/78/352652478.db2.gz KPKXGVAJNYRVFE-OAHLLOKOSA-N 2 2 232.371 2.617 20 0 BFADLP Cc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1C ZINC000044390457 352652736 /nfs/dbraw/zinc/65/27/36/352652736.db2.gz KPKXGVAJNYRVFE-HNNXBMFYSA-N 2 2 232.371 2.617 20 0 BFADLP Cc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1C ZINC000044390457 352652737 /nfs/dbraw/zinc/65/27/37/352652737.db2.gz KPKXGVAJNYRVFE-HNNXBMFYSA-N 2 2 232.371 2.617 20 0 BFADLP Cc1ccc(C[N@@H+](C)C[C@H]([NH3+])CC(C)C)cc1 ZINC000020264729 352680881 /nfs/dbraw/zinc/68/08/81/352680881.db2.gz CADCSJFRQICQHK-OAHLLOKOSA-N 2 2 234.387 2.800 20 0 BFADLP Cc1ccc(C[N@H+](C)C[C@H]([NH3+])CC(C)C)cc1 ZINC000020264729 352680885 /nfs/dbraw/zinc/68/08/85/352680885.db2.gz CADCSJFRQICQHK-OAHLLOKOSA-N 2 2 234.387 2.800 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638793050 352756052 /nfs/dbraw/zinc/75/60/52/352756052.db2.gz URPUTHRRNUOZRQ-YOWGUQMCSA-N 2 2 230.355 2.568 20 0 BFADLP C[C@]1([NH2+]Cc2c[nH+]c[nH]2)CCCc2ccccc21 ZINC000334263333 352897248 /nfs/dbraw/zinc/89/72/48/352897248.db2.gz JRDBLRQQWYQROC-HNNXBMFYSA-N 2 2 241.338 2.751 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000300967177 188002027 /nfs/dbraw/zinc/00/20/27/188002027.db2.gz RROYJHXXGYKFSF-OLZOCXBDSA-N 2 2 223.364 2.543 20 0 BFADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000337179160 188015158 /nfs/dbraw/zinc/01/51/58/188015158.db2.gz LHXIWUYRPJWXHM-KFWWJZLASA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000337179160 188015159 /nfs/dbraw/zinc/01/51/59/188015159.db2.gz LHXIWUYRPJWXHM-KFWWJZLASA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000337179160 188015160 /nfs/dbraw/zinc/01/51/60/188015160.db2.gz LHXIWUYRPJWXHM-KFWWJZLASA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000337179160 188015161 /nfs/dbraw/zinc/01/51/61/188015161.db2.gz LHXIWUYRPJWXHM-KFWWJZLASA-N 2 2 238.419 2.837 20 0 BFADLP FCCC[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000337985693 188015948 /nfs/dbraw/zinc/01/59/48/188015948.db2.gz BAFQFZFHJNOCMX-UONOGXRCSA-N 2 2 242.382 2.590 20 0 BFADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1 ZINC000274970922 188027943 /nfs/dbraw/zinc/02/79/43/188027943.db2.gz CCTLMSQSXNHCHW-AAEUAGOBSA-N 2 2 238.400 2.520 20 0 BFADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1 ZINC000274970922 188027944 /nfs/dbraw/zinc/02/79/44/188027944.db2.gz CCTLMSQSXNHCHW-AAEUAGOBSA-N 2 2 238.400 2.520 20 0 BFADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccsc1 ZINC000274970922 188027946 /nfs/dbraw/zinc/02/79/46/188027946.db2.gz CCTLMSQSXNHCHW-AAEUAGOBSA-N 2 2 238.400 2.520 20 0 BFADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccsc1 ZINC000274970922 188027948 /nfs/dbraw/zinc/02/79/48/188027948.db2.gz CCTLMSQSXNHCHW-AAEUAGOBSA-N 2 2 238.400 2.520 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000282681775 188033469 /nfs/dbraw/zinc/03/34/69/188033469.db2.gz ACNMZQRKXBUCPJ-VDERGJSUSA-N 2 2 246.398 2.718 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000083949155 538112535 /nfs/dbraw/zinc/11/25/35/538112535.db2.gz LYAOFXDZNCAEDA-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353631507 188234334 /nfs/dbraw/zinc/23/43/34/188234334.db2.gz QUYYADBIZGBMNA-STQMWFEESA-N 2 2 247.386 2.992 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353631507 188234336 /nfs/dbraw/zinc/23/43/36/188234336.db2.gz QUYYADBIZGBMNA-STQMWFEESA-N 2 2 247.386 2.992 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353627077 188234758 /nfs/dbraw/zinc/23/47/58/188234758.db2.gz JTFXJIZPSGWGRS-QJPTWQEYSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353627077 188234760 /nfs/dbraw/zinc/23/47/60/188234760.db2.gz JTFXJIZPSGWGRS-QJPTWQEYSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000355682957 188237439 /nfs/dbraw/zinc/23/74/39/188237439.db2.gz RGQKDJBJZDLAGX-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000355682957 188237440 /nfs/dbraw/zinc/23/74/40/188237440.db2.gz RGQKDJBJZDLAGX-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP c1cn2c(cccc2C[N@H+]2[C@H]3C=CC[C@@H]2CC3)[nH+]1 ZINC000367723783 188246456 /nfs/dbraw/zinc/24/64/56/188246456.db2.gz MRPXOCCQRLXYNQ-QWHCGFSZSA-N 2 2 239.322 2.627 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2[C@H]3C=CC[C@@H]2CC3)[nH+]1 ZINC000367723783 188246457 /nfs/dbraw/zinc/24/64/57/188246457.db2.gz MRPXOCCQRLXYNQ-QWHCGFSZSA-N 2 2 239.322 2.627 20 0 BFADLP CC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000035038308 188285327 /nfs/dbraw/zinc/28/53/27/188285327.db2.gz ZKLWQRANEXYWQU-GFCCVEGCSA-N 2 2 229.327 2.760 20 0 BFADLP C(=C/c1ccccc1)\C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000051790372 188259325 /nfs/dbraw/zinc/25/93/25/188259325.db2.gz YUIGRXDJCMEICB-SZTZYQKNSA-N 2 2 242.366 2.526 20 0 BFADLP C(=C/c1ccccc1)\C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000051790372 188259326 /nfs/dbraw/zinc/25/93/26/188259326.db2.gz YUIGRXDJCMEICB-SZTZYQKNSA-N 2 2 242.366 2.526 20 0 BFADLP CC(C)C[C@H](C[NH+](C)C)[NH2+]C1CCCCC1 ZINC000037166964 188325529 /nfs/dbraw/zinc/32/55/29/188325529.db2.gz IFQKPKPWVWNQHV-CQSZACIVSA-N 2 2 226.408 2.885 20 0 BFADLP C([NH2+]C1CCCC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336653688 188357855 /nfs/dbraw/zinc/35/78/55/188357855.db2.gz GHEFCNBPCQMJCR-AWEZNQCLSA-N 2 2 222.376 2.536 20 0 BFADLP C([NH2+]C1CCCC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336653688 188357857 /nfs/dbraw/zinc/35/78/57/188357857.db2.gz GHEFCNBPCQMJCR-AWEZNQCLSA-N 2 2 222.376 2.536 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC(C)(C)C ZINC000336753170 188360546 /nfs/dbraw/zinc/36/05/46/188360546.db2.gz DVYAJXPGGYVWHP-LBPRGKRZSA-N 2 2 226.408 2.743 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC(C)(C)C ZINC000336753170 188360547 /nfs/dbraw/zinc/36/05/47/188360547.db2.gz DVYAJXPGGYVWHP-LBPRGKRZSA-N 2 2 226.408 2.743 20 0 BFADLP C1=CC[C@H](C[NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000040433274 188396568 /nfs/dbraw/zinc/39/65/68/188396568.db2.gz CYSCFPDXQOPJLG-HNNXBMFYSA-N 2 2 236.403 2.808 20 0 BFADLP C[C@@H](CC[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000194289856 353648291 /nfs/dbraw/zinc/64/82/91/353648291.db2.gz ZKTHFJXUWZMKFD-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H](CC[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000194289856 353648293 /nfs/dbraw/zinc/64/82/93/353648293.db2.gz ZKTHFJXUWZMKFD-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccsc1 ZINC000232878876 353771788 /nfs/dbraw/zinc/77/17/88/353771788.db2.gz JSJQOUFKEFUPTD-GFCCVEGCSA-N 2 2 238.400 2.616 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232650077 353744511 /nfs/dbraw/zinc/74/45/11/353744511.db2.gz SVJXDOQFADSKFR-CJNGLKHVSA-N 2 2 246.398 2.664 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232650077 353744514 /nfs/dbraw/zinc/74/45/14/353744514.db2.gz SVJXDOQFADSKFR-CJNGLKHVSA-N 2 2 246.398 2.664 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1ccc(Cl)cc1C ZINC000233092092 353795552 /nfs/dbraw/zinc/79/55/52/353795552.db2.gz ULBFPIUWRSIMQR-UHFFFAOYSA-N 2 2 240.778 2.738 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)c1ccc(C)cc1 ZINC000038088669 358483418 /nfs/dbraw/zinc/48/34/18/358483418.db2.gz CYIBOIXJFOVRKF-HIFRSBDPSA-N 2 2 234.387 2.986 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[C@H]2C2CC2)c[nH+]1 ZINC000449739420 202015903 /nfs/dbraw/zinc/01/59/03/202015903.db2.gz AEEZYGMZJYASDQ-HOTGVXAUSA-N 2 2 244.382 2.958 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344362225 354242732 /nfs/dbraw/zinc/24/27/32/354242732.db2.gz RTGFVEGJJBAPFY-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344362225 354242736 /nfs/dbraw/zinc/24/27/36/354242736.db2.gz RTGFVEGJJBAPFY-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CC3(C)C)n2c1 ZINC000344415192 354252482 /nfs/dbraw/zinc/25/24/82/354252482.db2.gz ZXJOMKOAOUIIPD-LBPRGKRZSA-N 2 2 243.354 2.778 20 0 BFADLP CC(C)C1(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000639176869 354239571 /nfs/dbraw/zinc/23/95/71/354239571.db2.gz LXXQUXXEEHAMJD-ZDUSSCGKSA-N 2 2 247.386 2.646 20 0 BFADLP CC(C)C1(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)CC1 ZINC000639176869 354239572 /nfs/dbraw/zinc/23/95/72/354239572.db2.gz LXXQUXXEEHAMJD-ZDUSSCGKSA-N 2 2 247.386 2.646 20 0 BFADLP CC(C)C1(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000639176868 354239595 /nfs/dbraw/zinc/23/95/95/354239595.db2.gz LXXQUXXEEHAMJD-CYBMUJFWSA-N 2 2 247.386 2.646 20 0 BFADLP CC(C)C1(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)CC1 ZINC000639176868 354239597 /nfs/dbraw/zinc/23/95/97/354239597.db2.gz LXXQUXXEEHAMJD-CYBMUJFWSA-N 2 2 247.386 2.646 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]CC3(C)CC3)n2c1 ZINC000344694715 354335609 /nfs/dbraw/zinc/33/56/09/354335609.db2.gz DEZDQTQOTDTWLS-UHFFFAOYSA-N 2 2 229.327 2.532 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccoc3)n2c1 ZINC000178881205 366175898 /nfs/dbraw/zinc/17/58/98/366175898.db2.gz IWAWARGRBIEUME-UHFFFAOYSA-N 2 2 241.294 2.526 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000334685309 354431463 /nfs/dbraw/zinc/43/14/63/354431463.db2.gz LMYYQXAGCFPUST-WDEREUQCSA-N 2 2 245.326 2.519 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000334685309 354431464 /nfs/dbraw/zinc/43/14/64/354431464.db2.gz LMYYQXAGCFPUST-WDEREUQCSA-N 2 2 245.326 2.519 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000334685307 354431571 /nfs/dbraw/zinc/43/15/71/354431571.db2.gz LMYYQXAGCFPUST-MNOVXSKESA-N 2 2 245.326 2.519 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000334685307 354431575 /nfs/dbraw/zinc/43/15/75/354431575.db2.gz LMYYQXAGCFPUST-MNOVXSKESA-N 2 2 245.326 2.519 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CCCCCC1)C2 ZINC000334648239 354439149 /nfs/dbraw/zinc/43/91/49/354439149.db2.gz SIMHHHPYBKEONR-GFCCVEGCSA-N 2 2 233.359 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1CCCCCC1)CC2 ZINC000334648239 354439153 /nfs/dbraw/zinc/43/91/53/354439153.db2.gz SIMHHHPYBKEONR-GFCCVEGCSA-N 2 2 233.359 2.579 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCC13CCC3)CC2 ZINC000334735911 354536808 /nfs/dbraw/zinc/53/68/08/354536808.db2.gz WAZULKAGXUWIHG-STQMWFEESA-N 2 2 245.370 2.510 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC(C)(C)CC1 ZINC000346306482 354891571 /nfs/dbraw/zinc/89/15/71/354891571.db2.gz FAKGQYOYEUUZQZ-UHFFFAOYSA-N 2 2 235.375 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCCC(C)(C)CC1 ZINC000346306482 354891575 /nfs/dbraw/zinc/89/15/75/354891575.db2.gz FAKGQYOYEUUZQZ-UHFFFAOYSA-N 2 2 235.375 2.704 20 0 BFADLP CCC1(CC)CC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000346313421 354892902 /nfs/dbraw/zinc/89/29/02/354892902.db2.gz QKCCTQUQNUTDDQ-UHFFFAOYSA-N 2 2 235.375 2.704 20 0 BFADLP CCC1(CC)CC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000346313421 354892903 /nfs/dbraw/zinc/89/29/03/354892903.db2.gz QKCCTQUQNUTDDQ-UHFFFAOYSA-N 2 2 235.375 2.704 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@@H](C)C1 ZINC000346336649 354900349 /nfs/dbraw/zinc/90/03/49/354900349.db2.gz SJYZRDTZNJPMJQ-QKGCVVFFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@@H](C)C1 ZINC000346336649 354900352 /nfs/dbraw/zinc/90/03/52/354900352.db2.gz SJYZRDTZNJPMJQ-QKGCVVFFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000335200389 355033997 /nfs/dbraw/zinc/03/39/97/355033997.db2.gz YSUGWDNTGLJTAH-JSGCOSHPSA-N 2 2 241.338 2.549 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000335210092 355047612 /nfs/dbraw/zinc/04/76/12/355047612.db2.gz UPOWLQZQRDQOEH-CMPLNLGQSA-N 2 2 247.367 2.610 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)[C@@H]1C ZINC000346800480 355108428 /nfs/dbraw/zinc/10/84/28/355108428.db2.gz REUMNXYRQJAWNF-ARILJUKYSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)[C@@H]1C ZINC000346800480 355108431 /nfs/dbraw/zinc/10/84/31/355108431.db2.gz REUMNXYRQJAWNF-ARILJUKYSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC23CCC(CC2)C3)C[N@@H+]1C1CC1 ZINC000346803054 355109507 /nfs/dbraw/zinc/10/95/07/355109507.db2.gz JIFLWJKSQZGZFE-RXFTYZNJSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC23CCC(CC2)C3)C[N@H+]1C1CC1 ZINC000346803054 355109510 /nfs/dbraw/zinc/10/95/10/355109510.db2.gz JIFLWJKSQZGZFE-RXFTYZNJSA-N 2 2 248.414 2.782 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000346744994 355090952 /nfs/dbraw/zinc/09/09/52/355090952.db2.gz XFKKUBUNVGEICN-DZGCQCFKSA-N 2 2 244.382 2.606 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000346744994 355090953 /nfs/dbraw/zinc/09/09/53/355090953.db2.gz XFKKUBUNVGEICN-DZGCQCFKSA-N 2 2 244.382 2.606 20 0 BFADLP COc1ccccc1[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000346848885 355137670 /nfs/dbraw/zinc/13/76/70/355137670.db2.gz OQMWEFIUEIVALH-CYBMUJFWSA-N 2 2 248.370 2.569 20 0 BFADLP COc1ccccc1[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000346848885 355137673 /nfs/dbraw/zinc/13/76/73/355137673.db2.gz OQMWEFIUEIVALH-CYBMUJFWSA-N 2 2 248.370 2.569 20 0 BFADLP C[C@H]1CC[N@H+](CC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000335817289 355507871 /nfs/dbraw/zinc/50/78/71/355507871.db2.gz REVLCLMCINODIZ-JSGCOSHPSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@H]1CC[N@@H+](CC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000335817289 355507875 /nfs/dbraw/zinc/50/78/75/355507875.db2.gz REVLCLMCINODIZ-JSGCOSHPSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CC[N@H+](CC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000335817291 355507945 /nfs/dbraw/zinc/50/79/45/355507945.db2.gz REVLCLMCINODIZ-OCCSQVGLSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000335817291 355507948 /nfs/dbraw/zinc/50/79/48/355507948.db2.gz REVLCLMCINODIZ-OCCSQVGLSA-N 2 2 233.359 2.566 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC(C)(C)C ZINC000113345578 355524005 /nfs/dbraw/zinc/52/40/05/355524005.db2.gz IARUXUHNGGYKOV-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC(C)(C)C ZINC000113345578 355524007 /nfs/dbraw/zinc/52/40/07/355524007.db2.gz IARUXUHNGGYKOV-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP [NH3+][C@@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000034567731 355907236 /nfs/dbraw/zinc/90/72/36/355907236.db2.gz MYNAJKBDGIGXSU-GFCCVEGCSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+][C@@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000034567731 355907238 /nfs/dbraw/zinc/90/72/38/355907238.db2.gz MYNAJKBDGIGXSU-GFCCVEGCSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000192390338 356182799 /nfs/dbraw/zinc/18/27/99/356182799.db2.gz FWLZQHMZRHKHMW-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP CO[C@H]1CCC[N@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639473739 356266908 /nfs/dbraw/zinc/26/69/08/356266908.db2.gz MAQZRSDBCNNTCO-AWEZNQCLSA-N 2 2 248.370 2.618 20 0 BFADLP CO[C@H]1CCC[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639473739 356266909 /nfs/dbraw/zinc/26/69/09/356266909.db2.gz MAQZRSDBCNNTCO-AWEZNQCLSA-N 2 2 248.370 2.618 20 0 BFADLP CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@H](C)[NH3+] ZINC000420317683 192213214 /nfs/dbraw/zinc/21/32/14/192213214.db2.gz NSMKWBJHNCMKAA-NSHDSACASA-N 2 2 240.778 2.898 20 0 BFADLP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@H](C)[NH3+] ZINC000420317683 192213216 /nfs/dbraw/zinc/21/32/16/192213216.db2.gz NSMKWBJHNCMKAA-NSHDSACASA-N 2 2 240.778 2.898 20 0 BFADLP CCC[N@H+](C[C@H](C)[NH3+])[C@H]1CCc2ccccc2C1 ZINC000420316569 192213333 /nfs/dbraw/zinc/21/33/33/192213333.db2.gz MNXIXIPPPJKBOZ-BBRMVZONSA-N 2 2 246.398 2.603 20 0 BFADLP CCC[N@@H+](C[C@H](C)[NH3+])[C@H]1CCc2ccccc2C1 ZINC000420316569 192213335 /nfs/dbraw/zinc/21/33/35/192213335.db2.gz MNXIXIPPPJKBOZ-BBRMVZONSA-N 2 2 246.398 2.603 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420333026 192213902 /nfs/dbraw/zinc/21/39/02/192213902.db2.gz DXQMIYOEMQODBI-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000420333026 192213904 /nfs/dbraw/zinc/21/39/04/192213904.db2.gz DXQMIYOEMQODBI-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP CCC(F)(F)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000639514842 356355853 /nfs/dbraw/zinc/35/58/53/356355853.db2.gz RLSSPQSQTXALGH-UHFFFAOYSA-N 2 2 243.301 2.565 20 0 BFADLP CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000420309418 192211285 /nfs/dbraw/zinc/21/12/85/192211285.db2.gz TVSBLTBLTWKOSP-OLZOCXBDSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@@H]1CCCCC[N@H+]1C[C@@H](C)[NH3+] ZINC000420309418 192211288 /nfs/dbraw/zinc/21/12/88/192211288.db2.gz TVSBLTBLTWKOSP-OLZOCXBDSA-N 2 2 212.381 2.624 20 0 BFADLP CCc1ccccc1C[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420372748 192229237 /nfs/dbraw/zinc/22/92/37/192229237.db2.gz QOEIVKIRVYAOPP-DVOMOZLQSA-N 2 2 246.398 2.725 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000420357413 192219549 /nfs/dbraw/zinc/21/95/49/192219549.db2.gz DKCPRIBXBBFWQH-IIAWOOMASA-N 2 2 246.398 2.780 20 0 BFADLP CCCC1CCC([NH2+][C@H]2CC[N@H+](C)C2)CC1 ZINC000042545050 356415507 /nfs/dbraw/zinc/41/55/07/356415507.db2.gz UCNGRKAXASGCOO-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC1CCC([NH2+][C@H]2CC[N@@H+](C)C2)CC1 ZINC000042545050 356415510 /nfs/dbraw/zinc/41/55/10/356415510.db2.gz UCNGRKAXASGCOO-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000420375015 192231369 /nfs/dbraw/zinc/23/13/69/192231369.db2.gz OQKJBICSPRSDQX-LBPRGKRZSA-N 2 2 246.398 2.689 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000420375015 192231372 /nfs/dbraw/zinc/23/13/72/192231372.db2.gz OQKJBICSPRSDQX-LBPRGKRZSA-N 2 2 246.398 2.689 20 0 BFADLP Cc1cc(C)c(C[N@H+]2C[C@@H](C)[C@H]2C)c(C)[nH+]1 ZINC000639655109 356560378 /nfs/dbraw/zinc/56/03/78/356560378.db2.gz JBQGALKCSTVBGM-ZWNOBZJWSA-N 2 2 218.344 2.847 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@H]2C)c(C)[nH+]1 ZINC000639655109 356560382 /nfs/dbraw/zinc/56/03/82/356560382.db2.gz JBQGALKCSTVBGM-ZWNOBZJWSA-N 2 2 218.344 2.847 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000041064046 358506138 /nfs/dbraw/zinc/50/61/38/358506138.db2.gz ILRAAVCMEYGOIM-AWEZNQCLSA-N 2 2 243.354 2.851 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)cc[nH+]1 ZINC000301668547 356561081 /nfs/dbraw/zinc/56/10/81/356561081.db2.gz XYWSGDHFXFSXJX-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1CNc1cc(C)cc[nH+]1 ZINC000301668547 356561084 /nfs/dbraw/zinc/56/10/84/356561084.db2.gz XYWSGDHFXFSXJX-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@H](F)C2)c[nH+]1 ZINC000582234268 356636858 /nfs/dbraw/zinc/63/68/58/356636858.db2.gz ZLGNSKPQJNXPMO-KBPBESRZSA-N 2 2 236.334 2.803 20 0 BFADLP CCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000582252836 356687222 /nfs/dbraw/zinc/68/72/22/356687222.db2.gz TVZSEEHVQTWBTJ-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CCCc1[nH+]ccn1Cc1c[nH+]c2ccccn12 ZINC000179989608 366347234 /nfs/dbraw/zinc/34/72/34/366347234.db2.gz YCRNMCAWEQHBGL-UHFFFAOYSA-N 2 2 240.310 2.532 20 0 BFADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000034428885 356702471 /nfs/dbraw/zinc/70/24/71/356702471.db2.gz IJUCWUCQONTEII-INIZCTEOSA-N 2 2 240.350 2.763 20 0 BFADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000034428885 356702472 /nfs/dbraw/zinc/70/24/72/356702472.db2.gz IJUCWUCQONTEII-INIZCTEOSA-N 2 2 240.350 2.763 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623337147 356730088 /nfs/dbraw/zinc/73/00/88/356730088.db2.gz XMMAWGUZJWZVJB-QWHCGFSZSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623337147 356730090 /nfs/dbraw/zinc/73/00/90/356730090.db2.gz XMMAWGUZJWZVJB-QWHCGFSZSA-N 2 2 247.386 2.605 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000450454885 202171069 /nfs/dbraw/zinc/17/10/69/202171069.db2.gz MWIWRGCBYRGXRB-RBSFLKMASA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000450454885 202171072 /nfs/dbraw/zinc/17/10/72/202171072.db2.gz MWIWRGCBYRGXRB-RBSFLKMASA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C1CC1 ZINC000623371803 356881253 /nfs/dbraw/zinc/88/12/53/356881253.db2.gz UCAJVJOXERKJFN-QEJZJMRPSA-N 2 2 247.386 2.688 20 0 BFADLP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000155855521 538735241 /nfs/dbraw/zinc/73/52/41/538735241.db2.gz NJAQPPHQILKAOS-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000155855521 538735246 /nfs/dbraw/zinc/73/52/46/538735246.db2.gz NJAQPPHQILKAOS-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000389769363 357027220 /nfs/dbraw/zinc/02/72/20/357027220.db2.gz SJRYAKITKKVESF-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000389769363 357027223 /nfs/dbraw/zinc/02/72/23/357027223.db2.gz SJRYAKITKKVESF-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CC[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000020203988 357000933 /nfs/dbraw/zinc/00/09/33/357000933.db2.gz SLBUAZUBOBTTEV-AWEZNQCLSA-N 2 2 248.370 2.731 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000423241674 192647855 /nfs/dbraw/zinc/64/78/55/192647855.db2.gz VDAUYQJJFNHIOW-KGLIPLIRSA-N 2 2 236.334 2.618 20 0 BFADLP CC(C)CC[C@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000302543459 357069584 /nfs/dbraw/zinc/06/95/84/357069584.db2.gz UFWCTCOPUVJKJR-HNNXBMFYSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000423252665 192653047 /nfs/dbraw/zinc/65/30/47/192653047.db2.gz YASATBZBBRXKCY-SWLSCSKDSA-N 2 2 232.371 2.855 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccccc1F ZINC000423272646 192666401 /nfs/dbraw/zinc/66/64/01/192666401.db2.gz JZJULLMMACXSOC-KGLIPLIRSA-N 2 2 238.350 2.850 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)o1 ZINC000423271808 192665618 /nfs/dbraw/zinc/66/56/18/192665618.db2.gz YFBNTVZSBCAQKT-RYUDHWBXSA-N 2 2 238.375 2.866 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000389552691 538822084 /nfs/dbraw/zinc/82/20/84/538822084.db2.gz PQTMBNIVJZTJQB-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000389552691 538822089 /nfs/dbraw/zinc/82/20/89/538822089.db2.gz PQTMBNIVJZTJQB-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccccn1 ZINC000423280678 192672778 /nfs/dbraw/zinc/67/27/78/192672778.db2.gz UHWZECTWNHLSIM-DZGCQCFKSA-N 2 2 249.402 2.742 20 0 BFADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1csc(C)n1 ZINC000423296552 192684894 /nfs/dbraw/zinc/68/48/94/192684894.db2.gz ZJFPJKDAHYDMII-SECBINFHSA-N 2 2 241.404 2.620 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000157798092 538839923 /nfs/dbraw/zinc/83/99/23/538839923.db2.gz NPAACDKLQMEUON-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000157798092 538839929 /nfs/dbraw/zinc/83/99/29/538839929.db2.gz NPAACDKLQMEUON-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000582914376 357434737 /nfs/dbraw/zinc/43/47/37/357434737.db2.gz AAONLCIPSSWOPD-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000582914376 357434740 /nfs/dbraw/zinc/43/47/40/357434740.db2.gz AAONLCIPSSWOPD-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP c1cn(CCC[NH2+][C@H]2CCC23CCCC3)c[nH+]1 ZINC000189034586 357601176 /nfs/dbraw/zinc/60/11/76/357601176.db2.gz VOLCBNAPBJQDOB-ZDUSSCGKSA-N 2 2 233.359 2.586 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC23CCCC3)C[N@@H+]1C1CC1 ZINC000189148687 357606556 /nfs/dbraw/zinc/60/65/56/357606556.db2.gz FBBKJIKNFACXKB-GZBFAFLISA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC23CCCC3)C[N@H+]1C1CC1 ZINC000189148687 357606561 /nfs/dbraw/zinc/60/65/61/357606561.db2.gz FBBKJIKNFACXKB-GZBFAFLISA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397709774 357660842 /nfs/dbraw/zinc/66/08/42/357660842.db2.gz SLSLCJBXHNRDML-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000232631450 357669568 /nfs/dbraw/zinc/66/95/68/357669568.db2.gz FTBSLXLYRMTKBZ-ZFWWWQNUSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC[N@H+](C)C(C)C)C1 ZINC000232631450 357669569 /nfs/dbraw/zinc/66/95/69/357669569.db2.gz FTBSLXLYRMTKBZ-ZFWWWQNUSA-N 2 2 238.419 2.909 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000233458757 357724619 /nfs/dbraw/zinc/72/46/19/357724619.db2.gz XBFZHCMVBVDUDA-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000235288940 357851815 /nfs/dbraw/zinc/85/18/15/357851815.db2.gz ZOEJWCWRIPQKTI-NEPJUHHUSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000167330516 535368463 /nfs/dbraw/zinc/36/84/63/535368463.db2.gz ZNCDLXPLVWSUCW-STQMWFEESA-N 2 2 212.381 2.661 20 0 BFADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)[C@@H]1c1ccco1 ZINC000639929217 357905902 /nfs/dbraw/zinc/90/59/02/357905902.db2.gz MFECIOWZEFJLPD-CYBMUJFWSA-N 2 2 245.326 2.559 20 0 BFADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1ccco1 ZINC000639929217 357905903 /nfs/dbraw/zinc/90/59/03/357905903.db2.gz MFECIOWZEFJLPD-CYBMUJFWSA-N 2 2 245.326 2.559 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@]2(C)CCCC[C@H]2C)n1C ZINC000584540650 358049305 /nfs/dbraw/zinc/04/93/05/358049305.db2.gz GWTUGUMUSSUONX-BXUZGUMPSA-N 2 2 235.375 2.787 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000226413193 358339322 /nfs/dbraw/zinc/33/93/22/358339322.db2.gz HQLQCTSEDJRVHV-LSDHHAIUSA-N 2 2 246.398 2.967 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000226413193 358339327 /nfs/dbraw/zinc/33/93/27/358339327.db2.gz HQLQCTSEDJRVHV-LSDHHAIUSA-N 2 2 246.398 2.967 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044684114 358551104 /nfs/dbraw/zinc/55/11/04/358551104.db2.gz FAYBUDBDHAFBEP-TZMCWYRMSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044684114 358551107 /nfs/dbraw/zinc/55/11/07/358551107.db2.gz FAYBUDBDHAFBEP-TZMCWYRMSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044685268 358551988 /nfs/dbraw/zinc/55/19/88/358551988.db2.gz XCMPRLPCDSDVNQ-ZFWWWQNUSA-N 2 2 244.382 2.616 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044685268 358551992 /nfs/dbraw/zinc/55/19/92/358551992.db2.gz XCMPRLPCDSDVNQ-ZFWWWQNUSA-N 2 2 244.382 2.616 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685042 358552081 /nfs/dbraw/zinc/55/20/81/358552081.db2.gz QNCDZCCAJUJKTR-QWHCGFSZSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685042 358552083 /nfs/dbraw/zinc/55/20/83/358552083.db2.gz QNCDZCCAJUJKTR-QWHCGFSZSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000044684322 358552087 /nfs/dbraw/zinc/55/20/87/358552087.db2.gz QQLCVIRHBOCEML-FZMZJTMJSA-N 2 2 248.345 2.713 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000044684322 358552088 /nfs/dbraw/zinc/55/20/88/358552088.db2.gz QQLCVIRHBOCEML-FZMZJTMJSA-N 2 2 248.345 2.713 20 0 BFADLP CC[NH+]1CCC([N@H+](C)Cc2ccc(C)o2)CC1 ZINC000125221426 358535207 /nfs/dbraw/zinc/53/52/07/358535207.db2.gz UPDBGCRHYOUYGD-UHFFFAOYSA-N 2 2 236.359 2.504 20 0 BFADLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(C)o2)CC1 ZINC000125221426 358535211 /nfs/dbraw/zinc/53/52/11/358535211.db2.gz UPDBGCRHYOUYGD-UHFFFAOYSA-N 2 2 236.359 2.504 20 0 BFADLP CCc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000051721256 358760674 /nfs/dbraw/zinc/76/06/74/358760674.db2.gz MNLBMKZVIJUENJ-UHFFFAOYSA-N 2 2 238.375 2.519 20 0 BFADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]C3CCC3)C2)cc1 ZINC000052207778 358776428 /nfs/dbraw/zinc/77/64/28/358776428.db2.gz GCVGDFCBPOFDME-INIZCTEOSA-N 2 2 244.382 2.793 20 0 BFADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]C3CCC3)C2)cc1 ZINC000052207778 358776430 /nfs/dbraw/zinc/77/64/30/358776430.db2.gz GCVGDFCBPOFDME-INIZCTEOSA-N 2 2 244.382 2.793 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000134101793 358781035 /nfs/dbraw/zinc/78/10/35/358781035.db2.gz RPMDWOWTQCQQQX-QLFBSQMISA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000134101793 358781037 /nfs/dbraw/zinc/78/10/37/358781037.db2.gz RPMDWOWTQCQQQX-QLFBSQMISA-N 2 2 236.403 2.663 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000053488020 358829853 /nfs/dbraw/zinc/82/98/53/358829853.db2.gz TXRFYGSFDQMSLI-KGLIPLIRSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000053488020 358829855 /nfs/dbraw/zinc/82/98/55/358829855.db2.gz TXRFYGSFDQMSLI-KGLIPLIRSA-N 2 2 234.387 2.895 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C3(CF)CCC3)n2c1 ZINC000578322591 366511731 /nfs/dbraw/zinc/51/17/31/366511731.db2.gz AEXSMPLSVIHGFW-UHFFFAOYSA-N 2 2 247.317 2.625 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000069636021 359030915 /nfs/dbraw/zinc/03/09/15/359030915.db2.gz KJQQQGXVFCYQQL-GFCCVEGCSA-N 2 2 238.400 2.803 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247045915 359190348 /nfs/dbraw/zinc/19/03/48/359190348.db2.gz MYVXDTJBIKWXAJ-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247045915 359190351 /nfs/dbraw/zinc/19/03/51/359190351.db2.gz MYVXDTJBIKWXAJ-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP Cl/C=C/C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835827 359225865 /nfs/dbraw/zinc/22/58/65/359225865.db2.gz QRCNEHHQSMTDCM-DIECRNLCSA-N 2 2 242.794 2.547 20 0 BFADLP Cl/C=C/C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835827 359225868 /nfs/dbraw/zinc/22/58/68/359225868.db2.gz QRCNEHHQSMTDCM-DIECRNLCSA-N 2 2 242.794 2.547 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423428291 192752592 /nfs/dbraw/zinc/75/25/92/192752592.db2.gz OHFYBDJICNOQIE-KCXAZCMYSA-N 2 2 244.382 2.652 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000423385137 192759826 /nfs/dbraw/zinc/75/98/26/192759826.db2.gz QNRKKKJFKXAABC-OLZOCXBDSA-N 2 2 220.360 2.644 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000423458156 192777900 /nfs/dbraw/zinc/77/79/00/192777900.db2.gz GLCDDBPJSKYWNL-OCCSQVGLSA-N 2 2 248.370 2.536 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)o1 ZINC000423548527 192810052 /nfs/dbraw/zinc/81/00/52/192810052.db2.gz GQXWKGDYCSIDAB-VXGBXAGGSA-N 2 2 236.359 2.635 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C[N@@H+]1C1CC1 ZINC000379590616 359556331 /nfs/dbraw/zinc/55/63/31/359556331.db2.gz VDRMRVNLIUCKPJ-JSGCOSHPSA-N 2 2 234.387 2.702 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C[N@H+]1C1CC1 ZINC000379590616 359556335 /nfs/dbraw/zinc/55/63/35/359556335.db2.gz VDRMRVNLIUCKPJ-JSGCOSHPSA-N 2 2 234.387 2.702 20 0 BFADLP Cc1scc(C[NH2+]CC[NH+]2CCCC2)c1C ZINC000399920515 359655525 /nfs/dbraw/zinc/65/55/25/359655525.db2.gz KKWHAMZNLBVVSQ-UHFFFAOYSA-N 2 2 238.400 2.550 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccccc1F ZINC000578881307 366665719 /nfs/dbraw/zinc/66/57/19/366665719.db2.gz AAPIZWILQNTSLG-UHFFFAOYSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccccc1F ZINC000578881307 366665723 /nfs/dbraw/zinc/66/57/23/366665723.db2.gz AAPIZWILQNTSLG-UHFFFAOYSA-N 2 2 248.345 2.529 20 0 BFADLP CC[C@@H](C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000088512060 359964196 /nfs/dbraw/zinc/96/41/96/359964196.db2.gz VTUDYPHIQWQAMU-GFCCVEGCSA-N 2 2 221.348 2.566 20 0 BFADLP C1=CC[C@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000092046548 360148381 /nfs/dbraw/zinc/14/83/81/360148381.db2.gz OVZLDWUUJIYESA-JKSUJKDBSA-N 2 2 248.414 2.903 20 0 BFADLP C1=CC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000092046548 360148385 /nfs/dbraw/zinc/14/83/85/360148385.db2.gz OVZLDWUUJIYESA-JKSUJKDBSA-N 2 2 248.414 2.903 20 0 BFADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000093941339 360291123 /nfs/dbraw/zinc/29/11/23/360291123.db2.gz JPRPYXUSHJRTLC-MJBXVCDLSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000093941340 360291509 /nfs/dbraw/zinc/29/15/09/360291509.db2.gz JPRPYXUSHJRTLC-IHRRRGAJSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)[C@@H]1C ZINC000097928651 360383807 /nfs/dbraw/zinc/38/38/07/360383807.db2.gz CDEUMAOVLYJJJL-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000629395327 361042923 /nfs/dbraw/zinc/04/29/23/361042923.db2.gz PGEYOVSXUQVGLD-DZGCQCFKSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C[NH2+]1 ZINC000629394847 361043628 /nfs/dbraw/zinc/04/36/28/361043628.db2.gz MONUQQQAFPUMFF-YPMHNXCESA-N 2 2 244.338 2.663 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000629395330 361043786 /nfs/dbraw/zinc/04/37/86/361043786.db2.gz PGEYOVSXUQVGLD-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000629390572 361044750 /nfs/dbraw/zinc/04/47/50/361044750.db2.gz IQPDILCCQNGJRG-UONOGXRCSA-N 2 2 244.338 2.663 20 0 BFADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C2)cc(C2CCCC2)c1 ZINC000629409540 361058679 /nfs/dbraw/zinc/05/86/79/361058679.db2.gz SXSSTNYNJBHNFI-MRXNPFEDSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(F)c1 ZINC000629525294 361125628 /nfs/dbraw/zinc/12/56/28/361125628.db2.gz ZOWPWZXLIXJPOM-DDTOSNHZSA-N 2 2 236.334 2.617 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccsc1 ZINC000629525908 361127148 /nfs/dbraw/zinc/12/71/48/361127148.db2.gz FYRUBLHLMFHACH-ZMLRMANQSA-N 2 2 224.373 2.539 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C[NH2+]1 ZINC000629538343 361402542 /nfs/dbraw/zinc/40/25/42/361402542.db2.gz LCTFNDAVZOUGMG-WDBKCZKBSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C[NH2+]1 ZINC000629538626 361403333 /nfs/dbraw/zinc/40/33/33/361403333.db2.gz OTOKSIMOYIZZNV-YVLXSGLVSA-N 2 2 248.345 2.543 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540159 361414703 /nfs/dbraw/zinc/41/47/03/361414703.db2.gz UOZGGJBXKXTIDL-GRYCIOLGSA-N 2 2 238.400 2.848 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccsc1 ZINC000629535680 361409644 /nfs/dbraw/zinc/40/96/44/361409644.db2.gz CTBHNHYWRPTZJP-RTXFEEFZSA-N 2 2 238.400 2.929 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CCC2 ZINC000629544368 361423423 /nfs/dbraw/zinc/42/34/23/361423423.db2.gz KZKCBNINMYZUED-APHBMKBZSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)s1 ZINC000629544856 361424861 /nfs/dbraw/zinc/42/48/61/361424861.db2.gz DQBGFUVZLUZBOO-XHNCKOQMSA-N 2 2 244.791 2.803 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000629546302 361427913 /nfs/dbraw/zinc/42/79/13/361427913.db2.gz RNZLEYVWKZJUKO-VNHYZAJKSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1C ZINC000629549690 361441626 /nfs/dbraw/zinc/44/16/26/361441626.db2.gz YVCJGFQFNDJNLW-KCQAQPDRSA-N 2 2 232.371 2.704 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccnc1 ZINC000629541853 361418517 /nfs/dbraw/zinc/41/85/17/361418517.db2.gz XJUIEENTPZOCDK-SNPRPXQTSA-N 2 2 247.386 2.509 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1cccc(C(C)(C)C)c1 ZINC000629558009 361451850 /nfs/dbraw/zinc/45/18/50/361451850.db2.gz NSCXAKNLDMETLS-UHFFFAOYSA-N 2 2 234.387 2.765 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1cccc(C(C)(C)C)c1 ZINC000629558009 361451856 /nfs/dbraw/zinc/45/18/56/361451856.db2.gz NSCXAKNLDMETLS-UHFFFAOYSA-N 2 2 234.387 2.765 20 0 BFADLP CC[N@H+](CC[NH3+])[C@H]1CCc2c1cccc2Cl ZINC000629558113 361452802 /nfs/dbraw/zinc/45/28/02/361452802.db2.gz RISUSSBQQNGHCG-ZDUSSCGKSA-N 2 2 238.762 2.608 20 0 BFADLP CC[N@@H+](CC[NH3+])[C@H]1CCc2c1cccc2Cl ZINC000629558113 361452803 /nfs/dbraw/zinc/45/28/03/361452803.db2.gz RISUSSBQQNGHCG-ZDUSSCGKSA-N 2 2 238.762 2.608 20 0 BFADLP C[NH2+]c1ccc(N[C@@H](C)C[C@H]2CCC[NH2+]2)cc1 ZINC000629656774 361561279 /nfs/dbraw/zinc/56/12/79/361561279.db2.gz QNJYATRZEYCNHW-SMDDNHRTSA-N 2 2 233.359 2.671 20 0 BFADLP CC(C)C[C@H]([NH3+])C[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000629649826 361545773 /nfs/dbraw/zinc/54/57/73/361545773.db2.gz HSIOUIFJDMTYKG-UTUOFQBUSA-N 2 2 248.361 2.583 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434783802 201241858 /nfs/dbraw/zinc/24/18/58/201241858.db2.gz ILYGUGNAKLLMTB-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000434783802 201241862 /nfs/dbraw/zinc/24/18/62/201241862.db2.gz ILYGUGNAKLLMTB-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434785435 201240083 /nfs/dbraw/zinc/24/00/83/201240083.db2.gz OAVQJNIQDCHQDM-VNHYZAJKSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434785435 201240086 /nfs/dbraw/zinc/24/00/86/201240086.db2.gz OAVQJNIQDCHQDM-VNHYZAJKSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154558376 201283659 /nfs/dbraw/zinc/28/36/59/201283659.db2.gz HTYINFHPMDWUPG-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154558376 201283662 /nfs/dbraw/zinc/28/36/62/201283662.db2.gz HTYINFHPMDWUPG-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)(C)C1CC([NH2+]CCCn2cc[nH+]c2)C1 ZINC000436469056 201326340 /nfs/dbraw/zinc/32/63/40/201326340.db2.gz TVWMESHJQPYEFA-UHFFFAOYSA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000437106947 201343767 /nfs/dbraw/zinc/34/37/67/201343767.db2.gz NXBGNMIYYLTSLC-TZMCWYRMSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000437106947 201343770 /nfs/dbraw/zinc/34/37/70/201343770.db2.gz NXBGNMIYYLTSLC-TZMCWYRMSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437110077 201345658 /nfs/dbraw/zinc/34/56/58/201345658.db2.gz ZPBZHWHQLIAMJA-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437110076 201345682 /nfs/dbraw/zinc/34/56/82/201345682.db2.gz ZPBZHWHQLIAMJA-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000328514879 363889802 /nfs/dbraw/zinc/88/98/02/363889802.db2.gz PDNABGMQZLSQHF-LSDHHAIUSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000328514879 363889806 /nfs/dbraw/zinc/88/98/06/363889806.db2.gz PDNABGMQZLSQHF-LSDHHAIUSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@H](C[NH2+]CC(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000252888337 364676348 /nfs/dbraw/zinc/67/63/48/364676348.db2.gz AISRTQPZFOJZPV-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](C[NH2+]CC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000252888337 364676355 /nfs/dbraw/zinc/67/63/55/364676355.db2.gz AISRTQPZFOJZPV-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[NH2+]CCSCc1ccc(C(C)C)[nH+]c1C ZINC000573321506 364798156 /nfs/dbraw/zinc/79/81/56/364798156.db2.gz OMGODEXGVVVZRS-UHFFFAOYSA-N 2 2 238.400 2.966 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000434754472 541390307 /nfs/dbraw/zinc/39/03/07/541390307.db2.gz GHWBYCOXKSYKKD-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CCC1)[N@H+]1CCC[C@H](C)C1 ZINC000434754472 541390308 /nfs/dbraw/zinc/39/03/08/541390308.db2.gz GHWBYCOXKSYKKD-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CC1(C[NH2+]CCCNc2cccc[nH+]2)CCC1 ZINC000434788700 541391566 /nfs/dbraw/zinc/39/15/66/541391566.db2.gz ZEQRHWUWXDCWOD-UHFFFAOYSA-N 2 2 233.359 2.663 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)n1C ZINC000574098760 364987102 /nfs/dbraw/zinc/98/71/02/364987102.db2.gz CKKXKHPBQUGZHS-MGPQQGTHSA-N 2 2 247.386 2.787 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H]3CCC[C@H]3C2)n1C ZINC000574098756 364987563 /nfs/dbraw/zinc/98/75/63/364987563.db2.gz CKKXKHPBQUGZHS-HZSPNIEDSA-N 2 2 247.386 2.787 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C1CCCC1 ZINC000574413527 365058161 /nfs/dbraw/zinc/05/81/61/365058161.db2.gz JHJVOQZYEMQAHM-CQSZACIVSA-N 2 2 235.375 2.787 20 0 BFADLP C[C@H](CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)CC(C)(C)C ZINC000443008404 193010398 /nfs/dbraw/zinc/01/03/98/193010398.db2.gz FVKOAXMIWFZIQQ-HZSPNIEDSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@H](CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)CC(C)(C)C ZINC000443008404 193010400 /nfs/dbraw/zinc/01/04/00/193010400.db2.gz FVKOAXMIWFZIQQ-HZSPNIEDSA-N 2 2 240.435 2.989 20 0 BFADLP CCn1cc[nH+]c1CNc1ccc([C@H](C)[NH3+])cc1 ZINC000575151781 365224005 /nfs/dbraw/zinc/22/40/05/365224005.db2.gz ZYZNGRXEHQDTNY-NSHDSACASA-N 2 2 244.342 2.535 20 0 BFADLP CC1(C)CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000182797614 366943462 /nfs/dbraw/zinc/94/34/62/366943462.db2.gz VIBCAHJIMVYJCL-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CC1(C)CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000182797614 366943466 /nfs/dbraw/zinc/94/34/66/366943466.db2.gz VIBCAHJIMVYJCL-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CC[N@H+](CCCn1cc[nH+]c1)C1CCCCC1 ZINC000182680383 366928920 /nfs/dbraw/zinc/92/89/20/366928920.db2.gz KTXKLBBQOVRDDO-UHFFFAOYSA-N 2 2 235.375 2.928 20 0 BFADLP CC[N@@H+](CCCn1cc[nH+]c1)C1CCCCC1 ZINC000182680383 366928923 /nfs/dbraw/zinc/92/89/23/366928923.db2.gz KTXKLBBQOVRDDO-UHFFFAOYSA-N 2 2 235.375 2.928 20 0 BFADLP CC(C)C[N@H+](CCCn1cc[nH+]c1)C(C)C ZINC000182681977 366930403 /nfs/dbraw/zinc/93/04/03/366930403.db2.gz XDXXYTXJPHXEER-UHFFFAOYSA-N 2 2 223.364 2.640 20 0 BFADLP CC(C)C[N@@H+](CCCn1cc[nH+]c1)C(C)C ZINC000182681977 366930411 /nfs/dbraw/zinc/93/04/11/366930411.db2.gz XDXXYTXJPHXEER-UHFFFAOYSA-N 2 2 223.364 2.640 20 0 BFADLP CCC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182850053 366949856 /nfs/dbraw/zinc/94/98/56/366949856.db2.gz SRFSDXRMQVWGQT-AWEZNQCLSA-N 2 2 235.375 2.785 20 0 BFADLP CCC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182850053 366949863 /nfs/dbraw/zinc/94/98/63/366949863.db2.gz SRFSDXRMQVWGQT-AWEZNQCLSA-N 2 2 235.375 2.785 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000183181641 366989431 /nfs/dbraw/zinc/98/94/31/366989431.db2.gz FMVFDHJDAUFFKI-KGLIPLIRSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@H]3CCC[C@@H]32)c[nH+]1 ZINC000183181641 366989435 /nfs/dbraw/zinc/98/94/35/366989435.db2.gz FMVFDHJDAUFFKI-KGLIPLIRSA-N 2 2 233.359 2.538 20 0 BFADLP C[N@@H+](Cc1cccc2[nH+]ccn21)CC1CCC1 ZINC000183391734 367019644 /nfs/dbraw/zinc/01/96/44/367019644.db2.gz XPJMDKBBSCQAFH-UHFFFAOYSA-N 2 2 229.327 2.566 20 0 BFADLP C[N@H+](Cc1cccc2[nH+]ccn21)CC1CCC1 ZINC000183391734 367019652 /nfs/dbraw/zinc/01/96/52/367019652.db2.gz XPJMDKBBSCQAFH-UHFFFAOYSA-N 2 2 229.327 2.566 20 0 BFADLP c1ccc([C@H](CC2CC2)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000580886989 367196765 /nfs/dbraw/zinc/19/67/65/367196765.db2.gz MFLWLPJDVMXDGG-HOTGVXAUSA-N 2 2 244.382 2.869 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000381338000 367382521 /nfs/dbraw/zinc/38/25/21/367382521.db2.gz WNPSMTAECBGEGQ-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000381338000 367382525 /nfs/dbraw/zinc/38/25/25/367382525.db2.gz WNPSMTAECBGEGQ-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](CCc1ccsc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000381229693 367367604 /nfs/dbraw/zinc/36/76/04/367367604.db2.gz KQCUYGGSSZNOEH-RYUDHWBXSA-N 2 2 240.416 2.609 20 0 BFADLP CC1=CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)CC1 ZINC000381732286 367452949 /nfs/dbraw/zinc/45/29/49/367452949.db2.gz NPWHOKBDGMLKLO-ZDUSSCGKSA-N 2 2 222.376 2.559 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399125402 367592467 /nfs/dbraw/zinc/59/24/67/367592467.db2.gz JXKPALZZADGREQ-YDHLFZDLSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000399122253 367596200 /nfs/dbraw/zinc/59/62/00/367596200.db2.gz IFDFMFBFMPCBBK-IHRRRGAJSA-N 2 2 232.371 2.786 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000581590233 367617759 /nfs/dbraw/zinc/61/77/59/367617759.db2.gz SLFHVYOPMURPTB-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000581590234 367617833 /nfs/dbraw/zinc/61/78/33/367617833.db2.gz SLFHVYOPMURPTB-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC(C)(C)[NH+](C)C ZINC000384704529 367718148 /nfs/dbraw/zinc/71/81/48/367718148.db2.gz FITDRVBPUIKRDH-LLVKDONJSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1cn(Cc2c(C)cc(C)[nH+]c2C)c(C)[nH+]1 ZINC000631011679 370880331 /nfs/dbraw/zinc/88/03/31/370880331.db2.gz BKIRMKWEELPQNQ-UHFFFAOYSA-N 2 2 229.327 2.869 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385247688 367813569 /nfs/dbraw/zinc/81/35/69/367813569.db2.gz RNDXCPKVRHDKLP-CVEARBPZSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385247688 367813570 /nfs/dbraw/zinc/81/35/70/367813570.db2.gz RNDXCPKVRHDKLP-CVEARBPZSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000385271082 367814583 /nfs/dbraw/zinc/81/45/83/367814583.db2.gz YAWLVFBLEPQIRF-NEPJUHHUSA-N 2 2 223.364 2.686 20 0 BFADLP Cc1cn(Cc2ccc3[nH]c(C)[nH+]c3c2)c(C)[nH+]1 ZINC000631013010 370891116 /nfs/dbraw/zinc/89/11/16/370891116.db2.gz BBPWVYJGQSDBTJ-UHFFFAOYSA-N 2 2 240.310 2.733 20 0 BFADLP Cc1cn(C/C=C\Cn2cc(C)[nH+]c2C)c(C)[nH+]1 ZINC000631013034 370891689 /nfs/dbraw/zinc/89/16/89/370891689.db2.gz RKLTVGQPFNHRMX-WAYWQWQTSA-N 2 2 244.342 2.570 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000399211382 367908402 /nfs/dbraw/zinc/90/84/02/367908402.db2.gz XVVRVFQZZQPFFN-GYSYKLTISA-N 2 2 236.334 2.617 20 0 BFADLP CCc1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386075586 367909805 /nfs/dbraw/zinc/90/98/05/367909805.db2.gz GABLPGXZLGIPNL-CZUORRHYSA-N 2 2 246.398 2.869 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C[NH2+]1 ZINC000399197590 367898538 /nfs/dbraw/zinc/89/85/38/367898538.db2.gz SLHGWNJWOJZIJE-IUCAKERBSA-N 2 2 244.791 2.632 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C[NH2+]1 ZINC000399197586 367898891 /nfs/dbraw/zinc/89/88/91/367898891.db2.gz SLHGWNJWOJZIJE-DTWKUNHWSA-N 2 2 244.791 2.632 20 0 BFADLP Cc1scc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1C ZINC000399960132 368937594 /nfs/dbraw/zinc/93/75/94/368937594.db2.gz WRPQSONRWUBFBH-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP Cc1scc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1C ZINC000399960132 368937601 /nfs/dbraw/zinc/93/76/01/368937601.db2.gz WRPQSONRWUBFBH-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000459331059 203256924 /nfs/dbraw/zinc/25/69/24/203256924.db2.gz UVMWSVQWNFDESG-CYBMUJFWSA-N 2 2 249.402 2.863 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1CC(C)(C)C ZINC000459331059 203256926 /nfs/dbraw/zinc/25/69/26/203256926.db2.gz UVMWSVQWNFDESG-CYBMUJFWSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459358556 203266295 /nfs/dbraw/zinc/26/62/95/203266295.db2.gz BCYOFEWCMWICFW-PNESKVBLSA-N 2 2 235.375 2.686 20 0 BFADLP CC(C)CSCCC[NH2+]C(C)(C)C[NH+](C)C ZINC000459547989 203299679 /nfs/dbraw/zinc/29/96/79/203299679.db2.gz KXUQIFXLEGTQSS-UHFFFAOYSA-N 2 2 246.464 2.696 20 0 BFADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCCCC1 ZINC000459668094 203332485 /nfs/dbraw/zinc/33/24/85/203332485.db2.gz TUYXUBCVAKHYDI-ZDUSSCGKSA-N 2 2 249.402 2.911 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000459738927 203348495 /nfs/dbraw/zinc/34/84/95/203348495.db2.gz ALMPWOOMWSKETN-KWCYVHTRSA-N 2 2 241.338 2.613 20 0 BFADLP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCC1 ZINC000165328356 203382388 /nfs/dbraw/zinc/38/23/88/203382388.db2.gz ZBMOWALDFIHQAU-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP CCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CCC1 ZINC000165328356 203382392 /nfs/dbraw/zinc/38/23/92/203382392.db2.gz ZBMOWALDFIHQAU-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000165268689 203383132 /nfs/dbraw/zinc/38/31/32/203383132.db2.gz WAWLJSMHZHJYSU-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000165268689 203383134 /nfs/dbraw/zinc/38/31/34/203383134.db2.gz WAWLJSMHZHJYSU-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC(C)(C)C ZINC000113345580 370403023 /nfs/dbraw/zinc/40/30/23/370403023.db2.gz IARUXUHNGGYKOV-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC(C)(C)C ZINC000113345580 370403027 /nfs/dbraw/zinc/40/30/27/370403027.db2.gz IARUXUHNGGYKOV-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000568296266 326342916 /nfs/dbraw/zinc/34/29/16/326342916.db2.gz DEIGKNNWQJFYDA-STQMWFEESA-N 2 2 235.375 2.644 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621777848 370527843 /nfs/dbraw/zinc/52/78/43/370527843.db2.gz HVOZWWNRNNPQQT-UXIGCNINSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621777848 370527849 /nfs/dbraw/zinc/52/78/49/370527849.db2.gz HVOZWWNRNNPQQT-UXIGCNINSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1ccccc1F)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779659 370528761 /nfs/dbraw/zinc/52/87/61/370528761.db2.gz HSCQSMIKKKZLHY-JMSVASOKSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1ccccc1F)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779659 370528766 /nfs/dbraw/zinc/52/87/66/370528766.db2.gz HSCQSMIKKKZLHY-JMSVASOKSA-N 2 2 248.345 2.700 20 0 BFADLP CC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CCC1 ZINC000623728564 371070172 /nfs/dbraw/zinc/07/01/72/371070172.db2.gz QRTJSCHNTWNASF-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CCC1 ZINC000623728564 371070177 /nfs/dbraw/zinc/07/01/77/371070177.db2.gz QRTJSCHNTWNASF-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)c1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000623786800 371091662 /nfs/dbraw/zinc/09/16/62/371091662.db2.gz JZRYYJQWKQHDKB-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000623786800 371091664 /nfs/dbraw/zinc/09/16/64/371091664.db2.gz JZRYYJQWKQHDKB-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP CC[C@@H](CCc1ccccc1)[NH2+]CC[NH+](C)C ZINC000623984084 371216869 /nfs/dbraw/zinc/21/68/69/371216869.db2.gz XAXVLTVPBVNTIY-HNNXBMFYSA-N 2 2 234.387 2.549 20 0 BFADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101153 371307029 /nfs/dbraw/zinc/30/70/29/371307029.db2.gz MRPACSCVDUIIQG-BJJXKVORSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101153 371307031 /nfs/dbraw/zinc/30/70/31/371307031.db2.gz MRPACSCVDUIIQG-BJJXKVORSA-N 2 2 244.382 2.604 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101705 371308287 /nfs/dbraw/zinc/30/82/87/371308287.db2.gz WNPSMTAECBGEGQ-MGPQQGTHSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101705 371308289 /nfs/dbraw/zinc/30/82/89/371308289.db2.gz WNPSMTAECBGEGQ-MGPQQGTHSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000624101298 371308466 /nfs/dbraw/zinc/30/84/66/371308466.db2.gz YVDRNQMNERSSCH-RBSFLKMASA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000624101298 371308467 /nfs/dbraw/zinc/30/84/67/371308467.db2.gz YVDRNQMNERSSCH-RBSFLKMASA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000624315256 371478757 /nfs/dbraw/zinc/47/87/57/371478757.db2.gz ZNWAZCWBQVGRRI-IPYPFGDCSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000624315256 371478761 /nfs/dbraw/zinc/47/87/61/371478761.db2.gz ZNWAZCWBQVGRRI-IPYPFGDCSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000624315259 371478927 /nfs/dbraw/zinc/47/89/27/371478927.db2.gz ZNWAZCWBQVGRRI-VNHYZAJKSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCCC12CC2 ZINC000624315259 371478932 /nfs/dbraw/zinc/47/89/32/371478932.db2.gz ZNWAZCWBQVGRRI-VNHYZAJKSA-N 2 2 248.414 2.639 20 0 BFADLP CC(C)(C)C[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000163780887 372052413 /nfs/dbraw/zinc/05/24/13/372052413.db2.gz BUWQZZJIRPJQFS-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000307618930 372131454 /nfs/dbraw/zinc/13/14/54/372131454.db2.gz VJAHYUKTNQTVPT-DZGCQCFKSA-N 2 2 232.371 2.649 20 0 BFADLP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000307618930 372131459 /nfs/dbraw/zinc/13/14/59/372131459.db2.gz VJAHYUKTNQTVPT-DZGCQCFKSA-N 2 2 232.371 2.649 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000631859419 372658019 /nfs/dbraw/zinc/65/80/19/372658019.db2.gz NYDRPGLMTVCKBH-WBMJQRKESA-N 2 2 240.350 2.761 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000631859419 372658025 /nfs/dbraw/zinc/65/80/25/372658025.db2.gz NYDRPGLMTVCKBH-WBMJQRKESA-N 2 2 240.350 2.761 20 0 BFADLP CC(C)=CCC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835457 372615885 /nfs/dbraw/zinc/61/58/85/372615885.db2.gz VEGNMEIZZKYXPO-CYBMUJFWSA-N 2 2 210.365 2.546 20 0 BFADLP CC(C)=CCC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835457 372615891 /nfs/dbraw/zinc/61/58/91/372615891.db2.gz VEGNMEIZZKYXPO-CYBMUJFWSA-N 2 2 210.365 2.546 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040671809 373589335 /nfs/dbraw/zinc/58/93/35/373589335.db2.gz JJGZVPQGPCNTAL-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671809 373589337 /nfs/dbraw/zinc/58/93/37/373589337.db2.gz JJGZVPQGPCNTAL-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040671810 373589700 /nfs/dbraw/zinc/58/97/00/373589700.db2.gz JJGZVPQGPCNTAL-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671810 373589706 /nfs/dbraw/zinc/58/97/06/373589706.db2.gz JJGZVPQGPCNTAL-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP CCCN(CC[NH+](CC)CC)c1cccc(C)[nH+]1 ZINC000354805266 169158189 /nfs/dbraw/zinc/15/81/89/169158189.db2.gz JCDXQATXMUNXNT-UHFFFAOYSA-N 2 2 249.402 2.948 20 0 BFADLP c1cn2c(cccc2C[NH+]2CC(C3CCC3)C2)[nH+]1 ZINC000335152361 183338978 /nfs/dbraw/zinc/33/89/78/183338978.db2.gz QDFOYTRJTVTDFC-UHFFFAOYSA-N 2 2 241.338 2.566 20 0 BFADLP c1cn2c(cccc2C[NH+]2C[C@@H]3CCC[C@H]3C2)[nH+]1 ZINC000180275205 183346294 /nfs/dbraw/zinc/34/62/94/183346294.db2.gz CZDRZHRPJFZBRR-STQMWFEESA-N 2 2 241.338 2.566 20 0 BFADLP c1cn2c(cccc2C[NH+]2C[C@H]3CCC[C@@H]3C2)[nH+]1 ZINC000180275188 183347844 /nfs/dbraw/zinc/34/78/44/183347844.db2.gz CZDRZHRPJFZBRR-CHWSQXEVSA-N 2 2 241.338 2.566 20 0 BFADLP c1cn2c(cccc2C[NH2+]C23CCC(CC2)C3)[nH+]1 ZINC000368265488 183348001 /nfs/dbraw/zinc/34/80/01/183348001.db2.gz WEDPLGLTGTZWMU-UHFFFAOYSA-N 2 2 241.338 2.757 20 0 BFADLP CCC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000119011134 169254399 /nfs/dbraw/zinc/25/43/99/169254399.db2.gz JDTLUMRRBAFJHO-UHFFFAOYSA-N 2 2 234.387 2.897 20 0 BFADLP CCC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000119011134 169254401 /nfs/dbraw/zinc/25/44/01/169254401.db2.gz JDTLUMRRBAFJHO-UHFFFAOYSA-N 2 2 234.387 2.897 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1cc2ccccc2s1 ZINC000228717725 169259312 /nfs/dbraw/zinc/25/93/12/169259312.db2.gz CPFYKMFEZODYLR-UHFFFAOYSA-N 2 2 248.395 2.991 20 0 BFADLP c1cn(CCC[NH2+][C@H]2CCCc3occc32)c[nH+]1 ZINC000123927755 183467340 /nfs/dbraw/zinc/46/73/40/183467340.db2.gz IASLETWPKGLBCJ-ZDUSSCGKSA-N 2 2 245.326 2.533 20 0 BFADLP CC[N@H+](C)CC[NH2+]CCCC1CCCCC1 ZINC000222324255 134328743 /nfs/dbraw/zinc/32/87/43/134328743.db2.gz AWKIOKKTDNIHQG-UHFFFAOYSA-N 2 2 226.408 2.888 20 0 BFADLP CC[N@@H+](C)CC[NH2+]CCCC1CCCCC1 ZINC000222324255 134328744 /nfs/dbraw/zinc/32/87/44/134328744.db2.gz AWKIOKKTDNIHQG-UHFFFAOYSA-N 2 2 226.408 2.888 20 0 BFADLP C[NH+](C)CCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000000204754 383841609 /nfs/dbraw/zinc/84/16/09/383841609.db2.gz CVKBIYHFDAXVGX-UHFFFAOYSA-N 2 2 246.354 2.816 20 0 BFADLP C[NH+](C)CCC[N@@H+](C)Cc1cc2ccccc2o1 ZINC000000204754 383841616 /nfs/dbraw/zinc/84/16/16/383841616.db2.gz CVKBIYHFDAXVGX-UHFFFAOYSA-N 2 2 246.354 2.816 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157855 383948078 /nfs/dbraw/zinc/94/80/78/383948078.db2.gz PZLGNWNADCWYOK-ZIAGYGMSSA-N 2 2 243.354 2.931 20 0 BFADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1sccc1Cl ZINC000278491439 384013564 /nfs/dbraw/zinc/01/35/64/384013564.db2.gz MBYUXBOKALQNBG-SECBINFHSA-N 2 2 246.807 2.831 20 0 BFADLP CCC[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718562 384014661 /nfs/dbraw/zinc/01/46/61/384014661.db2.gz UJCLYPPEAVRXNM-UONOGXRCSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718562 384014665 /nfs/dbraw/zinc/01/46/65/384014665.db2.gz UJCLYPPEAVRXNM-UONOGXRCSA-N 2 2 249.402 2.863 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1C ZINC000221151564 384089064 /nfs/dbraw/zinc/08/90/64/384089064.db2.gz TYSSFWLXWMZNCO-INIZCTEOSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1C ZINC000221151564 384089068 /nfs/dbraw/zinc/08/90/68/384089068.db2.gz TYSSFWLXWMZNCO-INIZCTEOSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000069636830 384054439 /nfs/dbraw/zinc/05/44/39/384054439.db2.gz AXFHGNBOVZWUGL-NSHDSACASA-N 2 2 235.356 2.604 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000038088783 384066595 /nfs/dbraw/zinc/06/65/95/384066595.db2.gz YTOXPUGTZFJNRQ-TZMCWYRMSA-N 2 2 220.360 2.677 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)c1 ZINC000221159025 384091008 /nfs/dbraw/zinc/09/10/08/384091008.db2.gz BSCKJOLHSITVHA-HNNXBMFYSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC000221159025 384091010 /nfs/dbraw/zinc/09/10/10/384091010.db2.gz BSCKJOLHSITVHA-HNNXBMFYSA-N 2 2 246.398 2.796 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000090847124 384078643 /nfs/dbraw/zinc/07/86/43/384078643.db2.gz SMZUCQVPTXPIOH-DGCLKSJQSA-N 2 2 220.360 2.957 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]CC[N@H+](C)CC ZINC000116387574 384131185 /nfs/dbraw/zinc/13/11/85/384131185.db2.gz GKDDLKYMCKTKGC-HNNXBMFYSA-N 2 2 234.387 2.549 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]CC[N@@H+](C)CC ZINC000116387574 384131191 /nfs/dbraw/zinc/13/11/91/384131191.db2.gz GKDDLKYMCKTKGC-HNNXBMFYSA-N 2 2 234.387 2.549 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000116386549 384131291 /nfs/dbraw/zinc/13/12/91/384131291.db2.gz LXPXRLOXHXYMTD-HIFRSBDPSA-N 2 2 234.387 2.547 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313251347 384154208 /nfs/dbraw/zinc/15/42/08/384154208.db2.gz LSCGYMVNTPTUBT-GFCCVEGCSA-N 2 2 237.391 2.767 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1Cl ZINC000041064023 384176062 /nfs/dbraw/zinc/17/60/62/384176062.db2.gz YTDBXYQSASQWKV-NSHDSACASA-N 2 2 249.745 2.887 20 0 BFADLP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050227970 384169678 /nfs/dbraw/zinc/16/96/78/384169678.db2.gz SIZAUEVELYSPLK-WFASDCNBSA-N 2 2 232.371 2.904 20 0 BFADLP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050227970 384169683 /nfs/dbraw/zinc/16/96/83/384169683.db2.gz SIZAUEVELYSPLK-WFASDCNBSA-N 2 2 232.371 2.904 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+]CC3(C)CC3)cn21 ZINC000647262736 384312244 /nfs/dbraw/zinc/31/22/44/384312244.db2.gz MZCLGDIMZXXPLB-UHFFFAOYSA-N 2 2 243.354 2.575 20 0 BFADLP Cc1cc[nH+]c(N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000043561652 384286150 /nfs/dbraw/zinc/28/61/50/384286150.db2.gz FGHCHNYKVMODHS-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000133501494 384294834 /nfs/dbraw/zinc/29/48/34/384294834.db2.gz QQRSVKRMTUVBHE-ZBFHGGJFSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000133501494 384294839 /nfs/dbraw/zinc/29/48/39/384294839.db2.gz QQRSVKRMTUVBHE-ZBFHGGJFSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccoc1 ZINC000376595826 384396804 /nfs/dbraw/zinc/39/68/04/384396804.db2.gz RFDWWOYPFONSPP-GRTSSRMGSA-N 2 2 248.370 2.947 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000149371704 384479889 /nfs/dbraw/zinc/47/98/89/384479889.db2.gz CCUMMBIGXKFYBV-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC000556816873 384503502 /nfs/dbraw/zinc/50/35/02/384503502.db2.gz YBFYSVKNSADOGW-HNNXBMFYSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@H]([NH2+]CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037712593 384512197 /nfs/dbraw/zinc/51/21/97/384512197.db2.gz SDLIBCFOWJDRCT-ZETCQYMHSA-N 2 2 233.142 2.603 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC[NH+](C)C)cc1C ZINC000019388533 384519735 /nfs/dbraw/zinc/51/97/35/384519735.db2.gz HJHMWMZGLLGATC-CYBMUJFWSA-N 2 2 220.360 2.516 20 0 BFADLP CC[C@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000449557015 384528239 /nfs/dbraw/zinc/52/82/39/384528239.db2.gz PESFKXARBVCNLI-UONOGXRCSA-N 2 2 234.387 2.720 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000123236523 384543391 /nfs/dbraw/zinc/54/33/91/384543391.db2.gz PQOWPECUYOTHNB-MRXNPFEDSA-N 2 2 240.350 2.634 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000123236523 384543398 /nfs/dbraw/zinc/54/33/98/384543398.db2.gz PQOWPECUYOTHNB-MRXNPFEDSA-N 2 2 240.350 2.634 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000556868296 384561875 /nfs/dbraw/zinc/56/18/75/384561875.db2.gz QSPRLZFFEAULAR-UXOAXIEHSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000556868296 384561882 /nfs/dbraw/zinc/56/18/82/384561882.db2.gz QSPRLZFFEAULAR-UXOAXIEHSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H](C)c1ccccc1 ZINC000080248446 384540478 /nfs/dbraw/zinc/54/04/78/384540478.db2.gz RONUKWKQJMLVGP-NEPJUHHUSA-N 2 2 229.327 2.692 20 0 BFADLP c1[nH]c(C[NH2+][C@H](Cc2ccccc2)C2CC2)c[nH+]1 ZINC000172342935 384568738 /nfs/dbraw/zinc/56/87/38/384568738.db2.gz VLOPSOAKVZZDGN-OAHLLOKOSA-N 2 2 241.338 2.521 20 0 BFADLP C[C@@H](CCc1ccsc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000309734236 384572883 /nfs/dbraw/zinc/57/28/83/384572883.db2.gz FYWFEFBWNQLGSD-RYUDHWBXSA-N 2 2 240.416 2.609 20 0 BFADLP C[C@H]([NH2+]C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020083162 384574776 /nfs/dbraw/zinc/57/47/76/384574776.db2.gz MGIUZRLNAFYOIY-NSHDSACASA-N 2 2 227.311 2.685 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643067250 384580942 /nfs/dbraw/zinc/58/09/42/384580942.db2.gz YMAKMOKSOCMHRU-HUUCEWRRSA-N 2 2 236.403 2.641 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643067250 384580946 /nfs/dbraw/zinc/58/09/46/384580946.db2.gz YMAKMOKSOCMHRU-HUUCEWRRSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000020360735 384613062 /nfs/dbraw/zinc/61/30/62/384613062.db2.gz HYMHLZZOXAUCEJ-GFCCVEGCSA-N 2 2 247.317 2.763 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[C@@H]2C)c[nH+]1 ZINC000309806503 384632957 /nfs/dbraw/zinc/63/29/57/384632957.db2.gz SGPKVTBEAYJBPV-FZMZJTMJSA-N 2 2 218.344 2.568 20 0 BFADLP [NH3+][C@H]1CCC[C@H](Nc2ccc3c(c2)CCC[NH2+]3)C1 ZINC000568248454 384617474 /nfs/dbraw/zinc/61/74/74/384617474.db2.gz RGWDDDAWKJINLA-STQMWFEESA-N 2 2 245.370 2.727 20 0 BFADLP c1cn(CCC[NH2+][C@@H]2CCCc3occc32)c[nH+]1 ZINC000123927544 384597701 /nfs/dbraw/zinc/59/77/01/384597701.db2.gz IASLETWPKGLBCJ-CYBMUJFWSA-N 2 2 245.326 2.533 20 0 BFADLP CC[NH+](CC)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000082036065 384643511 /nfs/dbraw/zinc/64/35/11/384643511.db2.gz IUVPLMONDFJLFY-UHFFFAOYSA-N 2 2 229.327 2.714 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154602186 384646472 /nfs/dbraw/zinc/64/64/72/384646472.db2.gz CXHMZXGOFLUAIZ-MCIONIFRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154602186 384646476 /nfs/dbraw/zinc/64/64/76/384646476.db2.gz CXHMZXGOFLUAIZ-MCIONIFRSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C/C=C/c1ccccc1 ZINC000051790257 384685933 /nfs/dbraw/zinc/68/59/33/384685933.db2.gz WQULGBFPHNXRGL-LHRNQBEKSA-N 2 2 241.338 2.575 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1ccc(C)cc1 ZINC000021966702 384712195 /nfs/dbraw/zinc/71/21/95/384712195.db2.gz NEYNUKXTZGPVLY-CQSZACIVSA-N 2 2 220.360 2.597 20 0 BFADLP CC[NH+](CC)CC[NH2+]C1CCC2(CC2)CC1 ZINC000309941692 384734001 /nfs/dbraw/zinc/73/40/01/384734001.db2.gz BWITUTZDYZCOFJ-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000309973906 384755379 /nfs/dbraw/zinc/75/53/79/384755379.db2.gz RHBONDYZHWCHHM-NSHDSACASA-N 2 2 226.408 2.598 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000309973906 384755387 /nfs/dbraw/zinc/75/53/87/384755387.db2.gz RHBONDYZHWCHHM-NSHDSACASA-N 2 2 226.408 2.598 20 0 BFADLP Cc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647553693 384768087 /nfs/dbraw/zinc/76/80/87/384768087.db2.gz HFRTYOZASUZDPA-HNNXBMFYSA-N 2 2 244.382 2.759 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553594 384768103 /nfs/dbraw/zinc/76/81/03/384768103.db2.gz DRCINQZFYJBINW-OAHLLOKOSA-N 2 2 244.382 2.759 20 0 BFADLP c1csc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647554422 384772378 /nfs/dbraw/zinc/77/23/78/384772378.db2.gz ZCIVETAVIVTOIB-LBPRGKRZSA-N 2 2 236.384 2.512 20 0 BFADLP CC[NH+](CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174689088 384826428 /nfs/dbraw/zinc/82/64/28/384826428.db2.gz DVHVPKSPXNULFT-UHFFFAOYSA-N 2 2 247.386 2.640 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@H]1C ZINC000309746435 384790093 /nfs/dbraw/zinc/79/00/93/384790093.db2.gz FSNKEPPFLDJFSW-OCCSQVGLSA-N 2 2 218.344 2.711 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC000054763527 384850133 /nfs/dbraw/zinc/85/01/33/384850133.db2.gz ACGOZXMHWMNHBG-SECBINFHSA-N 2 2 235.718 2.914 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163789686 384858845 /nfs/dbraw/zinc/85/88/45/384858845.db2.gz FDBPHCUWVISRGR-OLZOCXBDSA-N 2 2 235.375 2.908 20 0 BFADLP c1ccc2cc(C[NH2+]C[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000259004512 384955749 /nfs/dbraw/zinc/95/57/49/384955749.db2.gz XEBQWFKIDMPQJD-INIZCTEOSA-N 2 2 240.350 2.681 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000249947638 384909100 /nfs/dbraw/zinc/90/91/00/384909100.db2.gz ZXYHGGFYXVBJBN-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000249947638 384909106 /nfs/dbraw/zinc/90/91/06/384909106.db2.gz ZXYHGGFYXVBJBN-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC000161207902 384918505 /nfs/dbraw/zinc/91/85/05/384918505.db2.gz BJRSSWHINMGGAN-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC000161207902 384918508 /nfs/dbraw/zinc/91/85/08/384918508.db2.gz BJRSSWHINMGGAN-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1sccc1C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000339343184 384986397 /nfs/dbraw/zinc/98/63/97/384986397.db2.gz JFXYSRCOOFYERM-GWCFXTLKSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1sccc1C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000339343184 384986406 /nfs/dbraw/zinc/98/64/06/384986406.db2.gz JFXYSRCOOFYERM-GWCFXTLKSA-N 2 2 238.400 2.629 20 0 BFADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000423553048 385027617 /nfs/dbraw/zinc/02/76/17/385027617.db2.gz KCTHLBFONUJOKE-DZGCQCFKSA-N 2 2 248.345 2.545 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000300967179 385214862 /nfs/dbraw/zinc/21/48/62/385214862.db2.gz RROYJHXXGYKFSF-STQMWFEESA-N 2 2 223.364 2.543 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000130163305 385225147 /nfs/dbraw/zinc/22/51/47/385225147.db2.gz SFRMBODFTMGUFQ-JSGCOSHPSA-N 2 2 220.360 2.677 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126992 385307664 /nfs/dbraw/zinc/30/76/64/385307664.db2.gz IWNGZOKEZNUGPF-AWEZNQCLSA-N 2 2 246.398 2.995 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166880113 385289438 /nfs/dbraw/zinc/28/94/38/385289438.db2.gz TXLMAQIWXBILRB-VXGBXAGGSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166880113 385289442 /nfs/dbraw/zinc/28/94/42/385289442.db2.gz TXLMAQIWXBILRB-VXGBXAGGSA-N 2 2 238.400 2.801 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000154504992 385332497 /nfs/dbraw/zinc/33/24/97/385332497.db2.gz DZOOASYKRQOUHF-NEPJUHHUSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1F ZINC000154504992 385332502 /nfs/dbraw/zinc/33/25/02/385332502.db2.gz DZOOASYKRQOUHF-NEPJUHHUSA-N 2 2 236.334 2.571 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)s1 ZINC000154509231 385332614 /nfs/dbraw/zinc/33/26/14/385332614.db2.gz XFOKBJZDBKJOPS-NWDGAFQWSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)s1 ZINC000154509231 385332618 /nfs/dbraw/zinc/33/26/18/385332618.db2.gz XFOKBJZDBKJOPS-NWDGAFQWSA-N 2 2 238.400 2.801 20 0 BFADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)C1CCC1 ZINC000178343081 385357583 /nfs/dbraw/zinc/35/75/83/385357583.db2.gz DPTYFUSLQWDYFA-LBPRGKRZSA-N 2 2 233.359 2.662 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000193131430 385385608 /nfs/dbraw/zinc/38/56/08/385385608.db2.gz HSIVGWOMKRDQMJ-BZPMIXESSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000193131430 385385615 /nfs/dbraw/zinc/38/56/15/385385615.db2.gz HSIVGWOMKRDQMJ-BZPMIXESSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+]C1(C[NH+](C)C)CCC1)c1ccccc1 ZINC000281429421 385430289 /nfs/dbraw/zinc/43/02/89/385430289.db2.gz ZNEPGHBSBVEKGT-CQSZACIVSA-N 2 2 246.398 2.864 20 0 BFADLP CC(C)CCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000302300120 385511330 /nfs/dbraw/zinc/51/13/30/385511330.db2.gz BIBUXIKUXGHORL-JKSUJKDBSA-N 2 2 246.398 2.849 20 0 BFADLP CC(C)CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000302300120 385511333 /nfs/dbraw/zinc/51/13/33/385511333.db2.gz BIBUXIKUXGHORL-JKSUJKDBSA-N 2 2 246.398 2.849 20 0 BFADLP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000181781652 385602594 /nfs/dbraw/zinc/60/25/94/385602594.db2.gz MKTRXCQMWBAZLX-VHDGCEQUSA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000181781652 385602598 /nfs/dbraw/zinc/60/25/98/385602598.db2.gz MKTRXCQMWBAZLX-VHDGCEQUSA-N 2 2 232.371 2.820 20 0 BFADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@@H](C)C1CCCCC1 ZINC000309495586 385615724 /nfs/dbraw/zinc/61/57/24/385615724.db2.gz TVSQBZGLHVHBID-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CCSCC[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000309490202 385619881 /nfs/dbraw/zinc/61/98/81/385619881.db2.gz WXCKIDUIJOZFLN-UHFFFAOYSA-N 2 2 244.448 2.594 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC000063192112 385610449 /nfs/dbraw/zinc/61/04/49/385610449.db2.gz RSSKHDXYRINQQD-NWDGAFQWSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC000063192112 385610454 /nfs/dbraw/zinc/61/04/54/385610454.db2.gz RSSKHDXYRINQQD-NWDGAFQWSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Cl)s1 ZINC000054764493 385656520 /nfs/dbraw/zinc/65/65/20/385656520.db2.gz WPJNDILCFBOSTR-SSDOTTSWSA-N 2 2 241.747 2.975 20 0 BFADLP CCC[C@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000337440462 385663641 /nfs/dbraw/zinc/66/36/41/385663641.db2.gz ZIQPQEYMGOUNDL-AWEZNQCLSA-N 2 2 247.386 2.701 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000302520836 385688268 /nfs/dbraw/zinc/68/82/68/385688268.db2.gz DPVOAFHGRDJKAT-AWEZNQCLSA-N 2 2 240.435 2.989 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000302520836 385688272 /nfs/dbraw/zinc/68/82/72/385688272.db2.gz DPVOAFHGRDJKAT-AWEZNQCLSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@@H](C[NH2+]Cc1ccccc1Cl)C[NH+](C)C ZINC000291800015 385709888 /nfs/dbraw/zinc/70/98/88/385709888.db2.gz XDPCEVAHELYWOB-NSHDSACASA-N 2 2 240.778 2.627 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000186208658 385746519 /nfs/dbraw/zinc/74/65/19/385746519.db2.gz BTJSNXNXBRATON-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000186208658 385746523 /nfs/dbraw/zinc/74/65/23/385746523.db2.gz BTJSNXNXBRATON-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CCC[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000309617966 385749809 /nfs/dbraw/zinc/74/98/09/385749809.db2.gz OHVPDSXBULVGAM-CYBMUJFWSA-N 2 2 223.364 2.545 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000488436543 385785295 /nfs/dbraw/zinc/78/52/95/385785295.db2.gz CJDPWPCUSJPZCU-YCPHGPKFSA-N 2 2 246.398 2.753 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000488436543 385785302 /nfs/dbraw/zinc/78/53/02/385785302.db2.gz CJDPWPCUSJPZCU-YCPHGPKFSA-N 2 2 246.398 2.753 20 0 BFADLP Cc1ccc(CCC[NH2+]CC2(C)CC2)c[nH+]1 ZINC000309697194 385798155 /nfs/dbraw/zinc/79/81/55/385798155.db2.gz LKESZDWNNWUATR-UHFFFAOYSA-N 2 2 218.344 2.712 20 0 BFADLP c1csc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000271195180 385802994 /nfs/dbraw/zinc/80/29/94/385802994.db2.gz NZIKMFQQKRVAER-UHFFFAOYSA-N 2 2 247.367 2.851 20 0 BFADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000112675603 385841277 /nfs/dbraw/zinc/84/12/77/385841277.db2.gz JIJWBKCIZPOROM-CHWSQXEVSA-N 2 2 221.348 2.714 20 0 BFADLP C[C@@H](CCC1CCCC1)[NH2+][C@@H](C)C[NH+](C)C ZINC000336739896 385789134 /nfs/dbraw/zinc/78/91/34/385789134.db2.gz LTFUSBXZOXGEIJ-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc(CCC[NH2+]CCCCF)c[nH+]1 ZINC000309686350 385790240 /nfs/dbraw/zinc/79/02/40/385790240.db2.gz HMPXNMCRYGUKCL-UHFFFAOYSA-N 2 2 224.323 2.662 20 0 BFADLP Fc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217644515 385888484 /nfs/dbraw/zinc/88/84/84/385888484.db2.gz QUYOHUSEXGDIIG-CABCVRRESA-N 2 2 248.345 2.542 20 0 BFADLP Fc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217644515 385888487 /nfs/dbraw/zinc/88/84/87/385888487.db2.gz QUYOHUSEXGDIIG-CABCVRRESA-N 2 2 248.345 2.542 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1C ZINC000414964130 385902113 /nfs/dbraw/zinc/90/21/13/385902113.db2.gz YFNWVWWGLWSUQT-GDBMZVCRSA-N 2 2 246.398 2.842 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414965534 385905526 /nfs/dbraw/zinc/90/55/26/385905526.db2.gz ZRXBSFMMGQRYJZ-WBMJQRKESA-N 2 2 244.382 2.652 20 0 BFADLP CC/C=C/C[NH2+]CCCc1c[nH+]ccc1C ZINC000294958473 385926485 /nfs/dbraw/zinc/92/64/85/385926485.db2.gz IDXUDNYCSCNJLA-SNAWJCMRSA-N 2 2 218.344 2.878 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CCC1 ZINC000338015028 385879059 /nfs/dbraw/zinc/87/90/59/385879059.db2.gz VAXSIWUFYZJFRB-KBPBESRZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)CCC[N@@H+]1C ZINC000338015033 385881641 /nfs/dbraw/zinc/88/16/41/385881641.db2.gz VCMBZQNHKZQNNC-FAAHXZRKSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)CCC[N@H+]1C ZINC000338015033 385881645 /nfs/dbraw/zinc/88/16/45/385881645.db2.gz VCMBZQNHKZQNNC-FAAHXZRKSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000414058062 385936666 /nfs/dbraw/zinc/93/66/66/385936666.db2.gz GTQDSWFREQMNRZ-ZSAUSMIDSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000414058062 385936670 /nfs/dbraw/zinc/93/66/70/385936670.db2.gz GTQDSWFREQMNRZ-ZSAUSMIDSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000335042642 385937246 /nfs/dbraw/zinc/93/72/46/385937246.db2.gz UETXJFRZGANDPF-CHWSQXEVSA-N 2 2 244.338 2.711 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1Cl ZINC000342179034 385939261 /nfs/dbraw/zinc/93/92/61/385939261.db2.gz XVFSCAXMGKNQDD-SNVBAGLBSA-N 2 2 238.762 2.872 20 0 BFADLP C[C@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)CC[N@@H+]1C ZINC000335053664 385953901 /nfs/dbraw/zinc/95/39/01/385953901.db2.gz KCCJMUNZAARELS-FZMZJTMJSA-N 2 2 245.370 2.549 20 0 BFADLP C[C@H]1C[C@@H](Nc2ccc3c(c2)CC[NH2+]3)CC[N@H+]1C ZINC000335053664 385953904 /nfs/dbraw/zinc/95/39/04/385953904.db2.gz KCCJMUNZAARELS-FZMZJTMJSA-N 2 2 245.370 2.549 20 0 BFADLP CC/C=C/CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342245452 385954026 /nfs/dbraw/zinc/95/40/26/385954026.db2.gz JGBOODAJIAWAFX-BWPKMQGJSA-N 2 2 246.354 2.891 20 0 BFADLP CC/C=C/CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342245452 385954031 /nfs/dbraw/zinc/95/40/31/385954031.db2.gz JGBOODAJIAWAFX-BWPKMQGJSA-N 2 2 246.354 2.891 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)[C@H]1C[C@@H]1C ZINC000414092243 385957862 /nfs/dbraw/zinc/95/78/62/385957862.db2.gz FFOGTPSEPBNORP-XUXIUFHCSA-N 2 2 247.386 2.785 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1C[C@H]1C ZINC000414147962 385997190 /nfs/dbraw/zinc/99/71/90/385997190.db2.gz MWTHHLPEFNXRJS-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1C[C@H]1C ZINC000414147962 385997199 /nfs/dbraw/zinc/99/71/99/385997199.db2.gz MWTHHLPEFNXRJS-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CCC(C)(F)F ZINC000295573992 386055868 /nfs/dbraw/zinc/05/58/68/386055868.db2.gz AVSZMXVVWZGVCW-UHFFFAOYSA-N 2 2 242.313 2.958 20 0 BFADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1C[C@@H]1C ZINC000414115641 386007853 /nfs/dbraw/zinc/00/78/53/386007853.db2.gz PRKABRMVNLCETG-IHRRRGAJSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1C[C@H]1C ZINC000414116131 386008036 /nfs/dbraw/zinc/00/80/36/386008036.db2.gz QGAIJLKVZSMXIC-FRRDWIJNSA-N 2 2 233.359 2.518 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414113840 386008283 /nfs/dbraw/zinc/00/82/83/386008283.db2.gz YZSNRLUMCQKUHI-QKCSRTOESA-N 2 2 218.344 2.567 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC000336751362 386008761 /nfs/dbraw/zinc/00/87/61/386008761.db2.gz VDLUIUNBPKHJCD-SCRDCRAPSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC000336751362 386008766 /nfs/dbraw/zinc/00/87/66/386008766.db2.gz VDLUIUNBPKHJCD-SCRDCRAPSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]([NH3+])C[NH2+]Cc1c(Cl)cccc1Cl ZINC000414980583 386055047 /nfs/dbraw/zinc/05/50/47/386055047.db2.gz PTDXLSRBHJCJGZ-QMMMGPOBSA-N 2 2 247.169 2.820 20 0 BFADLP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000346281320 386189692 /nfs/dbraw/zinc/18/96/92/386189692.db2.gz TTXJXCCQVYGUCA-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000346281320 386189694 /nfs/dbraw/zinc/18/96/94/386189694.db2.gz TTXJXCCQVYGUCA-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP Cc1cc[nH+]c(N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000130852977 386186375 /nfs/dbraw/zinc/18/63/75/386186375.db2.gz LFIPOMSDRFTWQO-CYBMUJFWSA-N 2 2 233.359 2.710 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CC[N@H+](CC)C1)C(C)(C)C ZINC000414348540 386137596 /nfs/dbraw/zinc/13/75/96/386137596.db2.gz RZVOTNZJQMWFGU-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000414348540 386137599 /nfs/dbraw/zinc/13/75/99/386137599.db2.gz RZVOTNZJQMWFGU-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000414698936 386201731 /nfs/dbraw/zinc/20/17/31/386201731.db2.gz RCGSRBCVNMDCHW-ZFWWWQNUSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000414698936 386201735 /nfs/dbraw/zinc/20/17/35/386201735.db2.gz RCGSRBCVNMDCHW-ZFWWWQNUSA-N 2 2 246.398 2.979 20 0 BFADLP C[C@H]1c2ccccc2CC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414697732 386202333 /nfs/dbraw/zinc/20/23/33/386202333.db2.gz QDORHOGCMLHBAD-ZDUSSCGKSA-N 2 2 246.398 2.994 20 0 BFADLP C[C@H]1c2ccccc2CC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414697732 386202335 /nfs/dbraw/zinc/20/23/35/386202335.db2.gz QDORHOGCMLHBAD-ZDUSSCGKSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000414698929 386202465 /nfs/dbraw/zinc/20/24/65/386202465.db2.gz RCGSRBCVNMDCHW-DZGCQCFKSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2ccccc2[C@@H]1C ZINC000414698929 386202471 /nfs/dbraw/zinc/20/24/71/386202471.db2.gz RCGSRBCVNMDCHW-DZGCQCFKSA-N 2 2 246.398 2.979 20 0 BFADLP [NH3+]CC[C@@H]([NH2+]CCCC1CCCCC1)C(F)F ZINC000414999412 386209989 /nfs/dbraw/zinc/20/99/89/386209989.db2.gz VLONCNDQYIFIDO-GFCCVEGCSA-N 2 2 248.361 2.919 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000057535947 386260285 /nfs/dbraw/zinc/26/02/85/386260285.db2.gz CGZUWGPNDSSKSD-UHFFFAOYSA-N 2 2 246.398 2.680 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000057535947 386260288 /nfs/dbraw/zinc/26/02/88/386260288.db2.gz CGZUWGPNDSSKSD-UHFFFAOYSA-N 2 2 246.398 2.680 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000132225245 386228676 /nfs/dbraw/zinc/22/86/76/386228676.db2.gz FWASTJLVVKCGQW-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c1 ZINC000132225245 386228683 /nfs/dbraw/zinc/22/86/83/386228683.db2.gz FWASTJLVVKCGQW-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP CCc1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132251546 386229468 /nfs/dbraw/zinc/22/94/68/386229468.db2.gz VFQFBEHXBKGZDD-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccccc1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132251546 386229474 /nfs/dbraw/zinc/22/94/74/386229474.db2.gz VFQFBEHXBKGZDD-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CC1(F)F)[NH+](C)C ZINC000638349512 386240187 /nfs/dbraw/zinc/24/01/87/386240187.db2.gz OIICBZHLPALPGY-UTUOFQBUSA-N 2 2 248.361 2.596 20 0 BFADLP Cc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1C ZINC000347086432 386244705 /nfs/dbraw/zinc/24/47/05/386244705.db2.gz DVUHCPIVYMTBGY-MRXNPFEDSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1C ZINC000347086432 386244712 /nfs/dbraw/zinc/24/47/12/386244712.db2.gz DVUHCPIVYMTBGY-MRXNPFEDSA-N 2 2 244.382 2.630 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365635587 386251107 /nfs/dbraw/zinc/25/11/07/386251107.db2.gz HJVFIELSJXQLQZ-CYBMUJFWSA-N 2 2 235.375 2.646 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365635587 386251114 /nfs/dbraw/zinc/25/11/14/386251114.db2.gz HJVFIELSJXQLQZ-CYBMUJFWSA-N 2 2 235.375 2.646 20 0 BFADLP CCSCC[C@H](C)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000414695963 386196579 /nfs/dbraw/zinc/19/65/79/386196579.db2.gz AKOLJAYQTPFQAN-LBPRGKRZSA-N 2 2 246.464 2.838 20 0 BFADLP CCSCC[C@H](C)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000414695963 386196584 /nfs/dbraw/zinc/19/65/84/386196584.db2.gz AKOLJAYQTPFQAN-LBPRGKRZSA-N 2 2 246.464 2.838 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C[C@H](C)C1 ZINC000414696954 386199349 /nfs/dbraw/zinc/19/93/49/386199349.db2.gz BTRSVAIZIPPIPE-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C[C@H](C)C1 ZINC000414696954 386199356 /nfs/dbraw/zinc/19/93/56/386199356.db2.gz BTRSVAIZIPPIPE-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000353594405 386282492 /nfs/dbraw/zinc/28/24/92/386282492.db2.gz GJSAHWHRNXSSBQ-VOAKCMCISA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000353594405 386282499 /nfs/dbraw/zinc/28/24/99/386282499.db2.gz GJSAHWHRNXSSBQ-VOAKCMCISA-N 2 2 247.386 2.681 20 0 BFADLP CCc1oc2ccccc2c1C[N@H+](C)[C@H](C)C[NH3+] ZINC000347214985 386288188 /nfs/dbraw/zinc/28/81/88/386288188.db2.gz QWMWMTNSXZDGJZ-LLVKDONJSA-N 2 2 246.354 2.774 20 0 BFADLP CCc1oc2ccccc2c1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000347214985 386288195 /nfs/dbraw/zinc/28/81/95/386288195.db2.gz QWMWMTNSXZDGJZ-LLVKDONJSA-N 2 2 246.354 2.774 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347300242 386302246 /nfs/dbraw/zinc/30/22/46/386302246.db2.gz ZQXFJZXGXVUARP-IHRRRGAJSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347300242 386302251 /nfs/dbraw/zinc/30/22/51/386302251.db2.gz ZQXFJZXGXVUARP-IHRRRGAJSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347300243 386302370 /nfs/dbraw/zinc/30/23/70/386302370.db2.gz ZQXFJZXGXVUARP-MELADBBJSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347300243 386302376 /nfs/dbraw/zinc/30/23/76/386302376.db2.gz ZQXFJZXGXVUARP-MELADBBJSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000088131712 386321315 /nfs/dbraw/zinc/32/13/15/386321315.db2.gz IDAIQHIUSMOTRX-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000088131712 386321319 /nfs/dbraw/zinc/32/13/19/386321319.db2.gz IDAIQHIUSMOTRX-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](C[NH2+]CC(C)(C)[NH+](C)C)Cc1ccccc1 ZINC000347316396 386356037 /nfs/dbraw/zinc/35/60/37/386356037.db2.gz DYUWOSURQSYHFF-AWEZNQCLSA-N 2 2 248.414 2.795 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](CC1CC1)C1CCC1 ZINC000414749600 386362012 /nfs/dbraw/zinc/36/20/12/386362012.db2.gz YKLGCTBWFWJQNB-CYBMUJFWSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](CC1CC1)C1CCC1 ZINC000414749600 386362020 /nfs/dbraw/zinc/36/20/20/386362020.db2.gz YKLGCTBWFWJQNB-CYBMUJFWSA-N 2 2 224.392 2.624 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000334447248 386367631 /nfs/dbraw/zinc/36/76/31/386367631.db2.gz LRNYZPCFIMUBKG-CABZTGNLSA-N 2 2 240.297 2.546 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000334447248 386367634 /nfs/dbraw/zinc/36/76/34/386367634.db2.gz LRNYZPCFIMUBKG-CABZTGNLSA-N 2 2 240.297 2.546 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347334839 386332238 /nfs/dbraw/zinc/33/22/38/386332238.db2.gz JBRLZEVRIFEFFG-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000347334839 386332242 /nfs/dbraw/zinc/33/22/42/386332242.db2.gz JBRLZEVRIFEFFG-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336681624 386337470 /nfs/dbraw/zinc/33/74/70/386337470.db2.gz RBWJWWMNCABCTK-VXGBXAGGSA-N 2 2 221.348 2.635 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336681624 386337474 /nfs/dbraw/zinc/33/74/74/386337474.db2.gz RBWJWWMNCABCTK-VXGBXAGGSA-N 2 2 221.348 2.635 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000336717883 386438784 /nfs/dbraw/zinc/43/87/84/386438784.db2.gz XBXDZVPCMYVXMY-GHMZBOCLSA-N 2 2 226.408 2.597 20 0 BFADLP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000339463766 386441265 /nfs/dbraw/zinc/44/12/65/386441265.db2.gz DXBGKRFCCPSCBR-OTTFEQOBSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)C1CC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000339463766 386441270 /nfs/dbraw/zinc/44/12/70/386441270.db2.gz DXBGKRFCCPSCBR-OTTFEQOBSA-N 2 2 236.403 2.637 20 0 BFADLP C[NH+](C)CCC[N@H+](C)Cc1ccccc1Cl ZINC000299103008 386412685 /nfs/dbraw/zinc/41/26/85/386412685.db2.gz FBUZASZBGIOUJX-UHFFFAOYSA-N 2 2 240.778 2.724 20 0 BFADLP C[NH+](C)CCC[N@@H+](C)Cc1ccccc1Cl ZINC000299103008 386412690 /nfs/dbraw/zinc/41/26/90/386412690.db2.gz FBUZASZBGIOUJX-UHFFFAOYSA-N 2 2 240.778 2.724 20 0 BFADLP Cc1cc2cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])oc2cc1C ZINC000415009356 386418494 /nfs/dbraw/zinc/41/84/94/386418494.db2.gz NWTOMWDXKGVVSK-VXGBXAGGSA-N 2 2 246.354 2.875 20 0 BFADLP Cc1cc2cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])oc2cc1C ZINC000415009341 386418513 /nfs/dbraw/zinc/41/85/13/386418513.db2.gz NWTOMWDXKGVVSK-NEPJUHHUSA-N 2 2 246.354 2.875 20 0 BFADLP c1ccc([C@@H](CC2CC2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000519382602 386420260 /nfs/dbraw/zinc/42/02/60/386420260.db2.gz MFLWLPJDVMXDGG-HZPDHXFCSA-N 2 2 244.382 2.869 20 0 BFADLP CCCCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365640989 386477927 /nfs/dbraw/zinc/47/79/27/386477927.db2.gz TYZRQSCFGUMULI-CYBMUJFWSA-N 2 2 235.375 2.790 20 0 BFADLP CCCCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365640989 386477935 /nfs/dbraw/zinc/47/79/35/386477935.db2.gz TYZRQSCFGUMULI-CYBMUJFWSA-N 2 2 235.375 2.790 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000417351484 386490741 /nfs/dbraw/zinc/49/07/41/386490741.db2.gz CUXMWXPVVIXTGS-CHWSQXEVSA-N 2 2 242.382 2.589 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000415014721 386500139 /nfs/dbraw/zinc/50/01/39/386500139.db2.gz XFEGWXJOCMRQMD-SFYZADRCSA-N 2 2 247.169 2.819 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000415049469 386505848 /nfs/dbraw/zinc/50/58/48/386505848.db2.gz YDEWRYBEPJLHES-RDFMZFSFSA-N 2 2 248.345 2.569 20 0 BFADLP CCSCC[NH2+]CC[N@@H+]1CCCC[C@@H]1CC ZINC000336781096 386578054 /nfs/dbraw/zinc/57/80/54/386578054.db2.gz TYAHBJIVAVAIRS-ZDUSSCGKSA-N 2 2 244.448 2.594 20 0 BFADLP CCSCC[NH2+]CC[N@H+]1CCCC[C@@H]1CC ZINC000336781096 386578058 /nfs/dbraw/zinc/57/80/58/386578058.db2.gz TYAHBJIVAVAIRS-ZDUSSCGKSA-N 2 2 244.448 2.594 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc2ccccc2o1 ZINC000414797667 386581778 /nfs/dbraw/zinc/58/17/78/386581778.db2.gz PHKJHZRDUSLYQW-CYBMUJFWSA-N 2 2 232.327 2.506 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc2ccccc2o1 ZINC000414797671 386582095 /nfs/dbraw/zinc/58/20/95/386582095.db2.gz PHKJHZRDUSLYQW-ZDUSSCGKSA-N 2 2 232.327 2.506 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CC(C)(C)C[C@H]1C)C1CC1 ZINC000300425032 386595965 /nfs/dbraw/zinc/59/59/65/386595965.db2.gz PGVOZAHZUYROSQ-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CC(C)(C)C[C@H]1C)C1CC1 ZINC000300425032 386595976 /nfs/dbraw/zinc/59/59/76/386595976.db2.gz PGVOZAHZUYROSQ-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1C ZINC000415046765 386535143 /nfs/dbraw/zinc/53/51/43/386535143.db2.gz VLADSPJEGYDZAA-OAHLLOKOSA-N 2 2 246.398 2.842 20 0 BFADLP Clc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415063554 386544566 /nfs/dbraw/zinc/54/45/66/386544566.db2.gz AFAFMBKXYHEAHW-ZDUSSCGKSA-N 2 2 238.762 2.572 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415066973 386546768 /nfs/dbraw/zinc/54/67/68/386546768.db2.gz JSJWZQFPKAALLV-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP c1cc(C2CC2)ccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415068756 386551195 /nfs/dbraw/zinc/55/11/95/386551195.db2.gz FHSCUKIJIQJEIM-INIZCTEOSA-N 2 2 244.382 2.796 20 0 BFADLP c1oc2ccccc2c1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071035 386557321 /nfs/dbraw/zinc/55/73/21/386557321.db2.gz SBUHZWPKIMARMG-CYBMUJFWSA-N 2 2 244.338 2.665 20 0 BFADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H](C)c1ccccc1 ZINC000417361892 386557844 /nfs/dbraw/zinc/55/78/44/386557844.db2.gz ZKTXTVAIQYDLPL-ZIAGYGMSSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H](C)c1ccccc1 ZINC000417361889 386559490 /nfs/dbraw/zinc/55/94/90/386559490.db2.gz ZKTXTVAIQYDLPL-KGLIPLIRSA-N 2 2 246.398 2.862 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(C)o1 ZINC000335498660 386623352 /nfs/dbraw/zinc/62/33/52/386623352.db2.gz SGJBMDLPYFPMIA-YPMHNXCESA-N 2 2 236.359 2.689 20 0 BFADLP Cc1[nH+]ccn1CCCCNc1cc(C)cc[nH+]1 ZINC000268281347 386636659 /nfs/dbraw/zinc/63/66/59/386636659.db2.gz BHYGASRCAMDUOA-UHFFFAOYSA-N 2 2 244.342 2.787 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417378993 386642712 /nfs/dbraw/zinc/64/27/12/386642712.db2.gz IKUJGPKXJSVTBT-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000337252112 386679717 /nfs/dbraw/zinc/67/97/17/386679717.db2.gz OLRDDKIULCLOOJ-NSHDSACASA-N 2 2 221.348 2.778 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000268741626 386691315 /nfs/dbraw/zinc/69/13/15/386691315.db2.gz YMAOJPMDKDAMEQ-XEZPLFJOSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000268741626 386691320 /nfs/dbraw/zinc/69/13/20/386691320.db2.gz YMAOJPMDKDAMEQ-XEZPLFJOSA-N 2 2 244.382 2.820 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043326074 386705028 /nfs/dbraw/zinc/70/50/28/386705028.db2.gz HKCVULOQTYLKIG-SWLSCSKDSA-N 2 2 232.371 2.652 20 0 BFADLP c1ccc2c(c1)SCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326827 386707677 /nfs/dbraw/zinc/70/76/77/386707677.db2.gz KMFPAILTDXCFRR-WCQYABFASA-N 2 2 248.395 2.565 20 0 BFADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000043326828 386707762 /nfs/dbraw/zinc/70/77/62/386707762.db2.gz KMFPAILTDXCFRR-AAEUAGOBSA-N 2 2 248.395 2.565 20 0 BFADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cc2ccccc2o1 ZINC000414833423 386712590 /nfs/dbraw/zinc/71/25/90/386712590.db2.gz FPXDZTXPYZRACM-CYBMUJFWSA-N 2 2 246.354 2.896 20 0 BFADLP C[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335486537 386716879 /nfs/dbraw/zinc/71/68/79/386716879.db2.gz HIOVAAWEKCTLQQ-LBPRGKRZSA-N 2 2 248.345 2.715 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)[NH+](C)C ZINC000268896537 386717055 /nfs/dbraw/zinc/71/70/55/386717055.db2.gz LMPNHABIDBGTPX-KBPBESRZSA-N 2 2 248.414 2.892 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000414929070 386722230 /nfs/dbraw/zinc/72/22/30/386722230.db2.gz NKLMBJCVOGIBJF-XJKSGUPXSA-N 2 2 246.398 2.898 20 0 BFADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)s1 ZINC000166168566 386728414 /nfs/dbraw/zinc/72/84/14/386728414.db2.gz LJQIZMFSRRMJBH-SNVBAGLBSA-N 2 2 238.400 2.579 20 0 BFADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)s1 ZINC000166168566 386728422 /nfs/dbraw/zinc/72/84/22/386728422.db2.gz LJQIZMFSRRMJBH-SNVBAGLBSA-N 2 2 238.400 2.579 20 0 BFADLP CC(C)CCC[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414835854 386729050 /nfs/dbraw/zinc/72/90/50/386729050.db2.gz RZAWRXKFFWLYOR-AWEZNQCLSA-N 2 2 220.360 2.712 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000269066842 386744995 /nfs/dbraw/zinc/74/49/95/386744995.db2.gz ZCZFZPZZMDCVHB-NWDGAFQWSA-N 2 2 238.375 2.833 20 0 BFADLP Cc1ccc(F)c(C[NH2+][C@H](C[NH3+])CC(C)C)c1 ZINC000414841144 386750465 /nfs/dbraw/zinc/75/04/65/386750465.db2.gz MZVAWBKJMDJWFB-ZDUSSCGKSA-N 2 2 238.350 2.597 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC3(C)C)n2c1 ZINC000269362396 386782178 /nfs/dbraw/zinc/78/21/78/386782178.db2.gz PKEOJXMDBKBJSX-LBPRGKRZSA-N 2 2 229.327 2.531 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000334760368 386818739 /nfs/dbraw/zinc/81/87/39/386818739.db2.gz BSBVUTYKPGZZEC-DGCLKSJQSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000334760368 386818745 /nfs/dbraw/zinc/81/87/45/386818745.db2.gz BSBVUTYKPGZZEC-DGCLKSJQSA-N 2 2 247.386 2.825 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000301618521 386861611 /nfs/dbraw/zinc/86/16/11/386861611.db2.gz BKCRTSXSYHOYIK-LBPRGKRZSA-N 2 2 245.326 2.698 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)o1 ZINC000293710119 386867502 /nfs/dbraw/zinc/86/75/02/386867502.db2.gz OXBPTFHBLOEXKA-VXGBXAGGSA-N 2 2 238.375 2.690 20 0 BFADLP C[C@@H]1CCCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165161437 386871857 /nfs/dbraw/zinc/87/18/57/386871857.db2.gz NMONSFSXZBUINS-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000165165806 386875727 /nfs/dbraw/zinc/87/57/27/386875727.db2.gz OIUSRASBVVPFCR-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H](C)C2CC2)c[nH+]1 ZINC000336739458 386882202 /nfs/dbraw/zinc/88/22/02/386882202.db2.gz LHONNMHEVAFQQA-LBPRGKRZSA-N 2 2 218.344 2.711 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341338570 386884735 /nfs/dbraw/zinc/88/47/35/386884735.db2.gz AXAGAEAHKALAFX-UONOGXRCSA-N 2 2 236.403 2.948 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000341338570 386884740 /nfs/dbraw/zinc/88/47/40/386884740.db2.gz AXAGAEAHKALAFX-UONOGXRCSA-N 2 2 236.403 2.948 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000341338571 386885150 /nfs/dbraw/zinc/88/51/50/386885150.db2.gz AXAGAEAHKALAFX-ZIAGYGMSSA-N 2 2 236.403 2.948 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000341338571 386885151 /nfs/dbraw/zinc/88/51/51/386885151.db2.gz AXAGAEAHKALAFX-ZIAGYGMSSA-N 2 2 236.403 2.948 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cc2ccccc2s1 ZINC000334841392 386886165 /nfs/dbraw/zinc/88/61/65/386886165.db2.gz HLHXKWJAACGFSG-ZWNOBZJWSA-N 2 2 246.379 2.823 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cc2ccccc2s1 ZINC000334841392 386886170 /nfs/dbraw/zinc/88/61/70/386886170.db2.gz HLHXKWJAACGFSG-ZWNOBZJWSA-N 2 2 246.379 2.823 20 0 BFADLP Cc1occc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334842237 386888553 /nfs/dbraw/zinc/88/85/53/386888553.db2.gz VOQUZISUWHUOEY-UHFFFAOYSA-N 2 2 245.326 2.691 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414943216 386895461 /nfs/dbraw/zinc/89/54/61/386895461.db2.gz CRVFLVQHCJNIAP-CJNGLKHVSA-N 2 2 246.398 2.899 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414943223 386895480 /nfs/dbraw/zinc/89/54/80/386895480.db2.gz CRVFLVQHCJNIAP-XJKSGUPXSA-N 2 2 246.398 2.899 20 0 BFADLP CC[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000335761571 386900197 /nfs/dbraw/zinc/90/01/97/386900197.db2.gz ZPIGJAWAEBMWDQ-LBPRGKRZSA-N 2 2 229.327 2.709 20 0 BFADLP CC[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000335761571 386900201 /nfs/dbraw/zinc/90/02/01/386900201.db2.gz ZPIGJAWAEBMWDQ-LBPRGKRZSA-N 2 2 229.327 2.709 20 0 BFADLP c1cc2c(cc1N[C@@H]1CCC[NH2+]CC1)CCC[NH2+]2 ZINC000334865605 386922555 /nfs/dbraw/zinc/92/25/55/386922555.db2.gz VOIJBXXMRAIQCU-CYBMUJFWSA-N 2 2 245.370 2.599 20 0 BFADLP CCCC1(C[NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)CCC1 ZINC000358283755 386926945 /nfs/dbraw/zinc/92/69/45/386926945.db2.gz DJMFZNUOYJTHGE-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC1(C[NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)CCC1 ZINC000358283755 386926947 /nfs/dbraw/zinc/92/69/47/386926947.db2.gz DJMFZNUOYJTHGE-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2Cl)CC[NH2+]1 ZINC000334868850 386928698 /nfs/dbraw/zinc/92/86/98/386928698.db2.gz MUWSOBQUJORPDQ-WPRPVWTQSA-N 2 2 244.791 2.632 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000334874498 386935504 /nfs/dbraw/zinc/93/55/04/386935504.db2.gz NVOAXBREHFDGLX-SECBINFHSA-N 2 2 244.791 2.632 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000352907134 386957107 /nfs/dbraw/zinc/95/71/07/386957107.db2.gz YSKSAAXJMZCJLA-XUJVJEKNSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000352907134 386957111 /nfs/dbraw/zinc/95/71/11/386957111.db2.gz YSKSAAXJMZCJLA-XUJVJEKNSA-N 2 2 236.403 2.637 20 0 BFADLP C/C(Cl)=C/C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528388311 387008816 /nfs/dbraw/zinc/00/88/16/387008816.db2.gz PSJMVUJGJHTYDN-TWEXNZEWSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528388311 387008819 /nfs/dbraw/zinc/00/88/19/387008819.db2.gz PSJMVUJGJHTYDN-TWEXNZEWSA-N 2 2 242.794 2.547 20 0 BFADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000334820856 386949156 /nfs/dbraw/zinc/94/91/56/386949156.db2.gz NHXXJQNUXCNAMI-RISCZKNCSA-N 2 2 244.338 2.663 20 0 BFADLP C[N@H+](CC[NH2+]C(C)(C)C)CCc1ccccc1 ZINC000053661227 387031612 /nfs/dbraw/zinc/03/16/12/387031612.db2.gz PABIKOCQQWIREU-UHFFFAOYSA-N 2 2 234.387 2.549 20 0 BFADLP C[N@@H+](CC[NH2+]C(C)(C)C)CCc1ccccc1 ZINC000053661227 387031614 /nfs/dbraw/zinc/03/16/14/387031614.db2.gz PABIKOCQQWIREU-UHFFFAOYSA-N 2 2 234.387 2.549 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000228030050 387059574 /nfs/dbraw/zinc/05/95/74/387059574.db2.gz NKQHKZAVWKAWJG-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000228030050 387059577 /nfs/dbraw/zinc/05/95/77/387059577.db2.gz NKQHKZAVWKAWJG-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000019905800 387063783 /nfs/dbraw/zinc/06/37/83/387063783.db2.gz SQMINAALMMEOAR-LBPRGKRZSA-N 2 2 238.375 2.826 20 0 BFADLP C/C(Cl)=C\C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528388333 387009483 /nfs/dbraw/zinc/00/94/83/387009483.db2.gz PSJMVUJGJHTYDN-VFJIKVCNSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528388333 387009489 /nfs/dbraw/zinc/00/94/89/387009489.db2.gz PSJMVUJGJHTYDN-VFJIKVCNSA-N 2 2 242.794 2.547 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)s1 ZINC000020126999 387075034 /nfs/dbraw/zinc/07/50/34/387075034.db2.gz KDAADCYFEPRYFI-GFCCVEGCSA-N 2 2 238.400 2.803 20 0 BFADLP CC[C@H](C[NH2+][C@H](C)C[NH+](C)C)c1ccccc1 ZINC000228128772 387078754 /nfs/dbraw/zinc/07/87/54/387078754.db2.gz FDTIWDXJCHWHIS-ZIAGYGMSSA-N 2 2 234.387 2.720 20 0 BFADLP CC[NH+]1CCC(Nc2ccc3c(c2)CC[NH2+]3)CC1 ZINC000335006133 387101243 /nfs/dbraw/zinc/10/12/43/387101243.db2.gz AZYLOEHQRVYFGO-UHFFFAOYSA-N 2 2 245.370 2.551 20 0 BFADLP CCCC[C@H](CC)[NH2+]CCCn1cc[nH+]c1 ZINC000068986074 387110844 /nfs/dbraw/zinc/11/08/44/387110844.db2.gz AYNVPMDYCTZBOH-ZDUSSCGKSA-N 2 2 223.364 2.832 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250783189 387120860 /nfs/dbraw/zinc/12/08/60/387120860.db2.gz YNJIKFUYJUYUAQ-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250783189 387120863 /nfs/dbraw/zinc/12/08/63/387120863.db2.gz YNJIKFUYJUYUAQ-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1ccc([C@H]([NH2+]C[C@H]([NH3+])C2CC2)C2CCC2)o1 ZINC000423314904 387154631 /nfs/dbraw/zinc/15/46/31/387154631.db2.gz IBQLSIRRHLSBTL-DZGCQCFKSA-N 2 2 248.370 2.756 20 0 BFADLP Cc1ccc([C@H]([NH2+]C[C@@H]([NH3+])C2CC2)C2CCC2)o1 ZINC000423314906 387155271 /nfs/dbraw/zinc/15/52/71/387155271.db2.gz IBQLSIRRHLSBTL-UKRRQHHQSA-N 2 2 248.370 2.756 20 0 BFADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1csc(Cl)c1 ZINC000423315944 387156858 /nfs/dbraw/zinc/15/68/58/387156858.db2.gz JHOCGDPOYIISKR-XCBNKYQSSA-N 2 2 244.791 2.789 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC23CCCC3)CCC1 ZINC000353242742 387162933 /nfs/dbraw/zinc/16/29/33/387162933.db2.gz JFHORTLJMZDALI-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC12CCCC2 ZINC000353314584 387178903 /nfs/dbraw/zinc/17/89/03/387178903.db2.gz NBJAVHSTXJMSBN-OLZOCXBDSA-N 2 2 233.359 2.584 20 0 BFADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1Cl ZINC000423335330 387183885 /nfs/dbraw/zinc/18/38/85/387183885.db2.gz XDPIFORTQRQOID-RNCFNFMXSA-N 2 2 238.762 2.728 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H](C)C2 ZINC000423302460 387134681 /nfs/dbraw/zinc/13/46/81/387134681.db2.gz JOACOZKOOLSHAZ-INWMFGNUSA-N 2 2 244.382 2.570 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1F ZINC000423301965 387135424 /nfs/dbraw/zinc/13/54/24/387135424.db2.gz UTWMPOHODHIBFC-NWDGAFQWSA-N 2 2 238.350 2.994 20 0 BFADLP CC[N@H+](CC[NH2+]C[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC000300412486 387207547 /nfs/dbraw/zinc/20/75/47/387207547.db2.gz VBSZJGPTBRQBNN-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+](CC[NH2+]C[C@@H]1CCC[C@H](C)C1)C1CC1 ZINC000300412486 387207552 /nfs/dbraw/zinc/20/75/52/387207552.db2.gz VBSZJGPTBRQBNN-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000423358668 387209813 /nfs/dbraw/zinc/20/98/13/387209813.db2.gz JQLQYEDWPXGSRE-IVMMDQJWSA-N 2 2 246.398 2.952 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C)C1CC1 ZINC000300425033 387211795 /nfs/dbraw/zinc/21/17/95/387211795.db2.gz PGVOZAHZUYROSQ-TZMCWYRMSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C)C1CC1 ZINC000300425033 387211802 /nfs/dbraw/zinc/21/18/02/387211802.db2.gz PGVOZAHZUYROSQ-TZMCWYRMSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000423367175 387219468 /nfs/dbraw/zinc/21/94/68/387219468.db2.gz QWJDMZDUZAPZLQ-DUVNUKRYSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@H](C)C[NH3+])C2CCCC2)o1 ZINC000423326849 387232347 /nfs/dbraw/zinc/23/23/47/387232347.db2.gz MZWCKFDLICXBEX-QMTHXVAHSA-N 2 2 236.359 2.756 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000336406080 387236027 /nfs/dbraw/zinc/23/60/27/387236027.db2.gz XWSYAPNEQDXIDV-GWCFXTLKSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000336406080 387236032 /nfs/dbraw/zinc/23/60/32/387236032.db2.gz XWSYAPNEQDXIDV-GWCFXTLKSA-N 2 2 238.762 2.824 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000336409645 387238187 /nfs/dbraw/zinc/23/81/87/387238187.db2.gz CRJWYTFLKAVNOO-ZDUSSCGKSA-N 2 2 236.334 2.700 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1c1ccc(F)cc1 ZINC000336409645 387238189 /nfs/dbraw/zinc/23/81/89/387238189.db2.gz CRJWYTFLKAVNOO-ZDUSSCGKSA-N 2 2 236.334 2.700 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)n1C ZINC000572135846 387246813 /nfs/dbraw/zinc/24/68/13/387246813.db2.gz NUROJLJYIJRCFI-YABSGUDNSA-N 2 2 235.375 2.643 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000423374578 387254814 /nfs/dbraw/zinc/25/48/14/387254814.db2.gz CKVHUSBAGCVNKB-JMSVASOKSA-N 2 2 232.371 2.823 20 0 BFADLP C[C@@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423374421 387255420 /nfs/dbraw/zinc/25/54/20/387255420.db2.gz SVJJIWAKMCKMLA-OYNCUSHFSA-N 2 2 242.413 2.610 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000230266604 387264976 /nfs/dbraw/zinc/26/49/76/387264976.db2.gz KHZAQNBOHBYJMH-CHWSQXEVSA-N 2 2 226.408 2.728 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000230266604 387264980 /nfs/dbraw/zinc/26/49/80/387264980.db2.gz KHZAQNBOHBYJMH-CHWSQXEVSA-N 2 2 226.408 2.728 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+]CC[NH+](C)C)c1 ZINC000022144695 387266064 /nfs/dbraw/zinc/26/60/64/387266064.db2.gz FZZSKUFJBHNFSV-CYBMUJFWSA-N 2 2 220.360 2.516 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000230266608 387266251 /nfs/dbraw/zinc/26/62/51/387266251.db2.gz KHZAQNBOHBYJMH-OLZOCXBDSA-N 2 2 226.408 2.728 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000230266608 387266258 /nfs/dbraw/zinc/26/62/58/387266258.db2.gz KHZAQNBOHBYJMH-OLZOCXBDSA-N 2 2 226.408 2.728 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000423386330 387271144 /nfs/dbraw/zinc/27/11/44/387271144.db2.gz RNUZTAVBBMYNOB-ZIAGYGMSSA-N 2 2 234.387 2.952 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccsc1 ZINC000423390141 387274482 /nfs/dbraw/zinc/27/44/82/387274482.db2.gz OGLGYVVBCRTCIT-PWSUYJOCSA-N 2 2 226.389 2.787 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000423394435 387280870 /nfs/dbraw/zinc/28/08/70/387280870.db2.gz ZQXVDWNCSXUOER-CJNGLKHVSA-N 2 2 246.398 2.960 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423434358 387283846 /nfs/dbraw/zinc/28/38/46/387283846.db2.gz RUVNEIRJQCXEAM-CVEARBPZSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC(C)(C)Cc2occc21)[C@H](C)[NH3+] ZINC000423441010 387289820 /nfs/dbraw/zinc/28/98/20/387289820.db2.gz IXNNAVBJYWRDKC-HOSYDEDBSA-N 2 2 236.359 2.618 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C1C(C)(C)C1(C)C ZINC000353917653 387296939 /nfs/dbraw/zinc/29/69/39/387296939.db2.gz RTPRAQLYUPALRW-LBPRGKRZSA-N 2 2 249.402 2.934 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])C2CCC2)o1 ZINC000423453174 387301814 /nfs/dbraw/zinc/30/18/14/387301814.db2.gz XITVKCMMBYJYFN-JTNHKYCSSA-N 2 2 236.359 2.755 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1Cl ZINC000423456972 387304282 /nfs/dbraw/zinc/30/42/82/387304282.db2.gz FCCPLGDHFLFOLK-VHSXEESVSA-N 2 2 226.751 2.728 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000423458155 387306385 /nfs/dbraw/zinc/30/63/85/387306385.db2.gz GLCDDBPJSKYWNL-JSGCOSHPSA-N 2 2 248.370 2.536 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccccc1F ZINC000423458213 387307056 /nfs/dbraw/zinc/30/70/56/387307056.db2.gz GQYQEOWTWBFQSN-GXFFZTMASA-N 2 2 224.323 2.604 20 0 BFADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501740 387354977 /nfs/dbraw/zinc/35/49/77/387354977.db2.gz PBTFYEDGQBFMMY-ABAIWWIYSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423480741 387360830 /nfs/dbraw/zinc/36/08/30/387360830.db2.gz WIKONEWUYHDDEK-DGCLKSJQSA-N 2 2 243.354 2.623 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000643502627 387366330 /nfs/dbraw/zinc/36/63/30/387366330.db2.gz LTUGWEGNFOTVHO-STQMWFEESA-N 2 2 238.400 2.931 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643503022 387368865 /nfs/dbraw/zinc/36/88/65/387368865.db2.gz YVIDVFIKDHJWQS-XJKCOSOUSA-N 2 2 244.382 2.967 20 0 BFADLP Fc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423550384 387372866 /nfs/dbraw/zinc/37/28/66/387372866.db2.gz IHZOWEDOCNIILU-IAQYHMDHSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423553767 387372881 /nfs/dbraw/zinc/37/28/81/387372881.db2.gz KZGJYGVKZHMJNY-DZGCQCFKSA-N 2 2 232.371 2.788 20 0 BFADLP Fc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423550386 387373273 /nfs/dbraw/zinc/37/32/73/387373273.db2.gz IHZOWEDOCNIILU-XHDPSFHLSA-N 2 2 248.345 2.545 20 0 BFADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423556876 387376334 /nfs/dbraw/zinc/37/63/34/387376334.db2.gz MWBNIFXBQLORBF-GOEBONIOSA-N 2 2 244.382 2.796 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000423476451 387325476 /nfs/dbraw/zinc/32/54/76/387325476.db2.gz SMECKGMCFXBKKV-FXQIFTODSA-N 2 2 232.780 2.788 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)C1CC1 ZINC000423495836 387337832 /nfs/dbraw/zinc/33/78/32/387337832.db2.gz CTZHBRKFRLJZCX-IAQYHMDHSA-N 2 2 232.371 2.637 20 0 BFADLP Cc1ccc(CCC[NH2+]CC[C@@H](C)F)c[nH+]1 ZINC000354201449 387345145 /nfs/dbraw/zinc/34/51/45/387345145.db2.gz WZAKGJMASULLIH-LLVKDONJSA-N 2 2 224.323 2.660 20 0 BFADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643500965 387347351 /nfs/dbraw/zinc/34/73/51/387347351.db2.gz LEMZPCKTLQVVGG-UKRRQHHQSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643500893 387347855 /nfs/dbraw/zinc/34/78/55/387347855.db2.gz GMSSZALLPCGCJC-HOCLYGCPSA-N 2 2 244.382 2.714 20 0 BFADLP c1cn(CCC[N@H+](CC2CC2)CC2CCC2)c[nH+]1 ZINC000361565561 387493883 /nfs/dbraw/zinc/49/38/83/387493883.db2.gz NCKJGQGWHTVWJT-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@@H+](CC2CC2)CC2CCC2)c[nH+]1 ZINC000361565561 387493887 /nfs/dbraw/zinc/49/38/87/387493887.db2.gz NCKJGQGWHTVWJT-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C1(C)CC1 ZINC000361669383 387519420 /nfs/dbraw/zinc/51/94/20/387519420.db2.gz BCESZSJWRZLIRB-RYUDHWBXSA-N 2 2 233.359 2.539 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@H](C)C2 ZINC000352725821 387462903 /nfs/dbraw/zinc/46/29/03/387462903.db2.gz RAVIPHLPFINYKU-XJKCOSOUSA-N 2 2 246.398 2.768 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@@H](C)C2 ZINC000352725819 387463142 /nfs/dbraw/zinc/46/31/42/387463142.db2.gz RAVIPHLPFINYKU-WOSRLPQWSA-N 2 2 246.398 2.768 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506004 387463548 /nfs/dbraw/zinc/46/35/48/387463548.db2.gz HKVVQCRDXXXVSU-LBPRGKRZSA-N 2 2 232.371 2.652 20 0 BFADLP C[C@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000361482564 387470193 /nfs/dbraw/zinc/47/01/93/387470193.db2.gz XVNUDIWSRMNAOM-LBPRGKRZSA-N 2 2 241.338 2.760 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304393267 387474056 /nfs/dbraw/zinc/47/40/56/387474056.db2.gz ZAMLTTSVJKDKHR-AWEZNQCLSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000304393267 387474061 /nfs/dbraw/zinc/47/40/61/387474061.db2.gz ZAMLTTSVJKDKHR-AWEZNQCLSA-N 2 2 226.408 2.743 20 0 BFADLP Fc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CCC2 ZINC000643507030 387474809 /nfs/dbraw/zinc/47/48/09/387474809.db2.gz QGXFNFKAKMJKRV-HNNXBMFYSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(F)c1 ZINC000643507621 387476568 /nfs/dbraw/zinc/47/65/68/387476568.db2.gz KVVIMNAPPWWPIN-CQSZACIVSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(C2CC2)c1 ZINC000643507761 387479418 /nfs/dbraw/zinc/47/94/18/387479418.db2.gz OTTFTZRSYMSOKZ-LBPRGKRZSA-N 2 2 244.382 2.967 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCC1 ZINC000355131545 387485663 /nfs/dbraw/zinc/48/56/63/387485663.db2.gz ZKEAWNHVVVVSMS-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCC1 ZINC000355131545 387485668 /nfs/dbraw/zinc/48/56/68/387485668.db2.gz ZKEAWNHVVVVSMS-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C(/C)Cl)C1 ZINC000528398576 387586853 /nfs/dbraw/zinc/58/68/53/387586853.db2.gz HQOKQGUVOGDEPF-XLVZXTRVSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C(/C)Cl)C1 ZINC000528398576 387586856 /nfs/dbraw/zinc/58/68/56/387586856.db2.gz HQOKQGUVOGDEPF-XLVZXTRVSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C(/C)Cl)C1 ZINC000528398576 387586859 /nfs/dbraw/zinc/58/68/59/387586859.db2.gz HQOKQGUVOGDEPF-XLVZXTRVSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C(/C)Cl)C1 ZINC000528398576 387586864 /nfs/dbraw/zinc/58/68/64/387586864.db2.gz HQOKQGUVOGDEPF-XLVZXTRVSA-N 2 2 244.810 2.793 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cnc(C)s1 ZINC000643514496 387598926 /nfs/dbraw/zinc/59/89/26/387598926.db2.gz GYMPSWVWKCGWSF-MWLCHTKSSA-N 2 2 241.404 2.620 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000422696587 387613616 /nfs/dbraw/zinc/61/36/16/387613616.db2.gz RXATZOGVOGMYTQ-GOEBONIOSA-N 2 2 246.398 2.924 20 0 BFADLP CC(C)C[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000355673133 387564728 /nfs/dbraw/zinc/56/47/28/387564728.db2.gz ASKUNWYTIVWFKE-CYBMUJFWSA-N 2 2 235.375 2.955 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000430692996 387639627 /nfs/dbraw/zinc/63/96/27/387639627.db2.gz YLCSYMJEUDHDRB-MGPQQGTHSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000430692995 387640687 /nfs/dbraw/zinc/64/06/87/387640687.db2.gz YLCSYMJEUDHDRB-MCIONIFRSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000422734252 387643922 /nfs/dbraw/zinc/64/39/22/387643922.db2.gz SQBXIGCAWBNWKR-KCXAZCMYSA-N 2 2 244.382 2.652 20 0 BFADLP CC[NH+]1CCC([N@H+](C)Cc2ccsc2)CC1 ZINC000125283641 387648566 /nfs/dbraw/zinc/64/85/66/387648566.db2.gz BUYLJJNZYHNKGN-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP CC[NH+]1CCC([N@@H+](C)Cc2ccsc2)CC1 ZINC000125283641 387648571 /nfs/dbraw/zinc/64/85/71/387648571.db2.gz BUYLJJNZYHNKGN-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP CCCCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376557437 387650307 /nfs/dbraw/zinc/65/03/07/387650307.db2.gz JPZBJTDDJIWTJP-UONOGXRCSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376557437 387650312 /nfs/dbraw/zinc/65/03/12/387650312.db2.gz JPZBJTDDJIWTJP-UONOGXRCSA-N 2 2 224.392 2.735 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC3)CC2)C[N@@H+]1C1CC1 ZINC000362915022 387671764 /nfs/dbraw/zinc/67/17/64/387671764.db2.gz XUXGQQLUTRQKHI-TZMCWYRMSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CCC3(CC3)CC2)C[N@H+]1C1CC1 ZINC000362915022 387671768 /nfs/dbraw/zinc/67/17/68/387671768.db2.gz XUXGQQLUTRQKHI-TZMCWYRMSA-N 2 2 248.414 2.924 20 0 BFADLP CC[C@H](F)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000440762352 387687381 /nfs/dbraw/zinc/68/73/81/387687381.db2.gz HQJYSPPHHQNUKZ-STQMWFEESA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@H](F)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000440762352 387687384 /nfs/dbraw/zinc/68/73/84/387687384.db2.gz HQJYSPPHHQNUKZ-STQMWFEESA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@H](F)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000440762352 387687388 /nfs/dbraw/zinc/68/73/88/387687388.db2.gz HQJYSPPHHQNUKZ-STQMWFEESA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@H](F)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000440762352 387687391 /nfs/dbraw/zinc/68/73/91/387687391.db2.gz HQJYSPPHHQNUKZ-STQMWFEESA-N 2 2 230.371 2.541 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422786149 387687629 /nfs/dbraw/zinc/68/76/29/387687629.db2.gz SDQSLVJSTFZTBD-GOEBONIOSA-N 2 2 246.398 2.842 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683895 387688339 /nfs/dbraw/zinc/68/83/39/387688339.db2.gz JQGNGFQZENXJTR-HNNXBMFYSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683895 387688341 /nfs/dbraw/zinc/68/83/41/387688341.db2.gz JQGNGFQZENXJTR-HNNXBMFYSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684134 387688800 /nfs/dbraw/zinc/68/88/00/387688800.db2.gz OHSKECZAPMTTMW-HIFRSBDPSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684134 387688807 /nfs/dbraw/zinc/68/88/07/387688807.db2.gz OHSKECZAPMTTMW-HIFRSBDPSA-N 2 2 244.382 2.882 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)C1CCCC1 ZINC000163526341 387707100 /nfs/dbraw/zinc/70/71/00/387707100.db2.gz LYKQENBYTVIYRO-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)C1CCCC1 ZINC000163526341 387707104 /nfs/dbraw/zinc/70/71/04/387707104.db2.gz LYKQENBYTVIYRO-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CC[NH+](CC)[C@H](C)CNc1cccc(C)[nH+]1 ZINC000157046331 387721724 /nfs/dbraw/zinc/72/17/24/387721724.db2.gz RNQZBMJMGMQJME-GFCCVEGCSA-N 2 2 221.348 2.532 20 0 BFADLP C1=CC[C@H](C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527804887 387727159 /nfs/dbraw/zinc/72/71/59/387727159.db2.gz CDNPSEQDUXGICR-HOCLYGCPSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@H](C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527804887 387727165 /nfs/dbraw/zinc/72/71/65/387727165.db2.gz CDNPSEQDUXGICR-HOCLYGCPSA-N 2 2 248.414 2.949 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527805166 387727196 /nfs/dbraw/zinc/72/71/96/387727196.db2.gz DLOGNGAYYDJUJW-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527805166 387727198 /nfs/dbraw/zinc/72/71/98/387727198.db2.gz DLOGNGAYYDJUJW-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C([NH2+]C1CCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527806320 387727335 /nfs/dbraw/zinc/72/73/35/387727335.db2.gz IXPHJUSUMZRITQ-AWEZNQCLSA-N 2 2 222.376 2.536 20 0 BFADLP C([NH2+]C1CCCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527806320 387727341 /nfs/dbraw/zinc/72/73/41/387727341.db2.gz IXPHJUSUMZRITQ-AWEZNQCLSA-N 2 2 222.376 2.536 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527811522 387731897 /nfs/dbraw/zinc/73/18/97/387731897.db2.gz XRGTTWRSDCITJY-UMVBOHGHSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527811522 387731904 /nfs/dbraw/zinc/73/19/04/387731904.db2.gz XRGTTWRSDCITJY-UMVBOHGHSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[N@@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000377621954 387733220 /nfs/dbraw/zinc/73/32/20/387733220.db2.gz HLJDJGZUCLEDGC-AWEZNQCLSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@@H](C[N@H+]1CC[NH+]2CCC1CC2)c1ccccc1 ZINC000377621954 387733224 /nfs/dbraw/zinc/73/32/24/387733224.db2.gz HLJDJGZUCLEDGC-AWEZNQCLSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1ccc([C@H]([NH2+]C[C@H](C)[NH3+])C2CCCC2)o1 ZINC000643529138 387775670 /nfs/dbraw/zinc/77/56/70/387775670.db2.gz VTTSTVYAVPJAKM-IINYFYTJSA-N 2 2 236.359 2.756 20 0 BFADLP C[C@@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422979975 387791094 /nfs/dbraw/zinc/79/10/94/387791094.db2.gz OCTTYCOXGJHZLL-RBWKAQPHSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422979974 387791688 /nfs/dbraw/zinc/79/16/88/387791688.db2.gz OCTTYCOXGJHZLL-PPEJIECUSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422979976 387791864 /nfs/dbraw/zinc/79/18/64/387791864.db2.gz OCTTYCOXGJHZLL-UUMOCBLWSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000151035224 387796138 /nfs/dbraw/zinc/79/61/38/387796138.db2.gz BGZDKPNMNMKUAG-AWEZNQCLSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000151035224 387796143 /nfs/dbraw/zinc/79/61/43/387796143.db2.gz BGZDKPNMNMKUAG-AWEZNQCLSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423000970 387804286 /nfs/dbraw/zinc/80/42/86/387804286.db2.gz HFHKDZOVMRVGRF-TYNCELHUSA-N 2 2 230.355 2.577 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)[C@H]1C ZINC000527997763 387806140 /nfs/dbraw/zinc/80/61/40/387806140.db2.gz AVFCESOGYDUEDG-OSRDXIQISA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)[C@H]1C ZINC000527997763 387806143 /nfs/dbraw/zinc/80/61/43/387806143.db2.gz AVFCESOGYDUEDG-OSRDXIQISA-N 2 2 236.403 2.637 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528003522 387807099 /nfs/dbraw/zinc/80/70/99/387807099.db2.gz SOWDUUDSCULPEM-KBPBESRZSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528003522 387807103 /nfs/dbraw/zinc/80/71/03/387807103.db2.gz SOWDUUDSCULPEM-KBPBESRZSA-N 2 2 236.403 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528003992 387809357 /nfs/dbraw/zinc/80/93/57/387809357.db2.gz UJZDUFDJBMWTIN-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528003992 387809360 /nfs/dbraw/zinc/80/93/60/387809360.db2.gz UJZDUFDJBMWTIN-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@H]1CCC12CCC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528003986 387809542 /nfs/dbraw/zinc/80/95/42/387809542.db2.gz UJZDUFDJBMWTIN-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@H]1CCC12CCC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528003986 387809545 /nfs/dbraw/zinc/80/95/45/387809545.db2.gz UJZDUFDJBMWTIN-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+]C(C1CC1)C1CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528015899 387822524 /nfs/dbraw/zinc/82/25/24/387822524.db2.gz ZTPNIPMEAYCZEZ-OAHLLOKOSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+]C(C1CC1)C1CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528015899 387822530 /nfs/dbraw/zinc/82/25/30/387822530.db2.gz ZTPNIPMEAYCZEZ-OAHLLOKOSA-N 2 2 248.414 2.782 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCCC12CC2)[NH+](C)C ZINC000564102989 387831451 /nfs/dbraw/zinc/83/14/51/387831451.db2.gz WSYNVVNGEJCNBW-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)ccc1F ZINC000423011969 387833183 /nfs/dbraw/zinc/83/31/83/387833183.db2.gz JUNVVFLFRBIHSI-ZFWWWQNUSA-N 2 2 248.345 2.537 20 0 BFADLP Cc1cc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CC2)ccc1F ZINC000423011966 387834494 /nfs/dbraw/zinc/83/44/94/387834494.db2.gz JUNVVFLFRBIHSI-DZGCQCFKSA-N 2 2 248.345 2.537 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(O)c1 ZINC000442865576 387853189 /nfs/dbraw/zinc/85/31/89/387853189.db2.gz UPIRPRRODJWAOL-ZOWXZIJZSA-N 2 2 248.370 2.526 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(O)c1 ZINC000442865576 387853195 /nfs/dbraw/zinc/85/31/95/387853195.db2.gz UPIRPRRODJWAOL-ZOWXZIJZSA-N 2 2 248.370 2.526 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423047800 387857998 /nfs/dbraw/zinc/85/79/98/387857998.db2.gz HCESSVGXKUYMAI-CZUORRHYSA-N 2 2 246.398 2.898 20 0 BFADLP CC[N@H+](C[C@@H](C)[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000442654145 387813799 /nfs/dbraw/zinc/81/37/99/387813799.db2.gz XGFMKQYKMAEMQE-MNOVXSKESA-N 2 2 224.323 2.556 20 0 BFADLP CC[N@@H+](C[C@@H](C)[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000442654145 387813802 /nfs/dbraw/zinc/81/38/02/387813802.db2.gz XGFMKQYKMAEMQE-MNOVXSKESA-N 2 2 224.323 2.556 20 0 BFADLP CC(C)[C@H]([NH2+][C@H](C)CCCC[NH3+])C(F)(F)F ZINC000423070076 387872782 /nfs/dbraw/zinc/87/27/82/387872782.db2.gz MNZPBHWPCDJMBJ-ZJUUUORDSA-N 2 2 240.313 2.680 20 0 BFADLP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423082525 387878328 /nfs/dbraw/zinc/87/83/28/387878328.db2.gz XCNVBYLATVYAMO-LRDDRELGSA-N 2 2 244.382 2.794 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000300235421 387919397 /nfs/dbraw/zinc/91/93/97/387919397.db2.gz AJABRQXPMWSJNN-BFHYXJOUSA-N 2 2 226.408 2.741 20 0 BFADLP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000423144735 387920075 /nfs/dbraw/zinc/92/00/75/387920075.db2.gz HUMFKIKVXNRYGI-IGQOVBAYSA-N 2 2 234.318 2.611 20 0 BFADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)c2ccccc21 ZINC000423144736 387921039 /nfs/dbraw/zinc/92/10/39/387921039.db2.gz HUMFKIKVXNRYGI-MQYQWHSLSA-N 2 2 234.318 2.611 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C(C)C)C1 ZINC000444753073 387921817 /nfs/dbraw/zinc/92/18/17/387921817.db2.gz XKWNSGHPYVDMGD-AWEZNQCLSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444753073 387921818 /nfs/dbraw/zinc/92/18/18/387921818.db2.gz XKWNSGHPYVDMGD-AWEZNQCLSA-N 2 2 235.375 2.560 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(F)F ZINC000423147155 387925927 /nfs/dbraw/zinc/92/59/27/387925927.db2.gz REIHSTLTJFXLLK-UTUOFQBUSA-N 2 2 248.361 2.931 20 0 BFADLP C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000245572109 387961861 /nfs/dbraw/zinc/96/18/61/387961861.db2.gz GWIABKNBDOWRDK-KFWWJZLASA-N 2 2 245.370 2.875 20 0 BFADLP C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000245572109 387961862 /nfs/dbraw/zinc/96/18/62/387961862.db2.gz GWIABKNBDOWRDK-KFWWJZLASA-N 2 2 245.370 2.875 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045105675 387963335 /nfs/dbraw/zinc/96/33/35/387963335.db2.gz HJKFHPVUYLTPQI-OLZOCXBDSA-N 2 2 223.364 2.688 20 0 BFADLP Cc1cc2cc([C@@H](C)[NH2+]CC[NH3+])oc2cc1C ZINC000423179254 387965683 /nfs/dbraw/zinc/96/56/83/387965683.db2.gz JLCDHVJRAAFMKZ-LLVKDONJSA-N 2 2 232.327 2.659 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@H]1CCCC[NH2+]1 ZINC000423182324 387968479 /nfs/dbraw/zinc/96/84/79/387968479.db2.gz LNZFFYFJOLJTGB-XJFOESAGSA-N 2 2 248.370 2.646 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)o1 ZINC000423185311 387970580 /nfs/dbraw/zinc/97/05/80/387970580.db2.gz UZWWIIDBARTJQU-GFCCVEGCSA-N 2 2 236.359 2.900 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423197199 387981758 /nfs/dbraw/zinc/98/17/58/387981758.db2.gz YIRTZKODCVMVSH-BLLLJJGKSA-N 2 2 244.382 2.578 20 0 BFADLP Fc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423193873 387979187 /nfs/dbraw/zinc/97/91/87/387979187.db2.gz QYIXTXZFQWPNGL-GJZGRUSLSA-N 2 2 248.345 2.618 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC000423194808 387979207 /nfs/dbraw/zinc/97/92/07/387979207.db2.gz RRKONXQNRSEBIS-BXUZGUMPSA-N 2 2 236.334 2.618 20 0 BFADLP CC[N@H+](CC[NH2+][C@H](C1CC1)C1CCC1)C1CC1 ZINC000453084631 387980696 /nfs/dbraw/zinc/98/06/96/387980696.db2.gz FGXYQNBFSIIQKO-HNNXBMFYSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H](C1CC1)C1CCC1)C1CC1 ZINC000453084631 387980698 /nfs/dbraw/zinc/98/06/98/387980698.db2.gz FGXYQNBFSIIQKO-HNNXBMFYSA-N 2 2 236.403 2.639 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453077517 387980901 /nfs/dbraw/zinc/98/09/01/387980901.db2.gz RCQIHYZKPAWRBV-OAHLLOKOSA-N 2 2 236.403 2.641 20 0 BFADLP c1cn(C2CC[NH+](CC3=CCCC3)CC2)c[nH+]1 ZINC000645813165 387981079 /nfs/dbraw/zinc/98/10/79/387981079.db2.gz XAXJZZHENIFBQY-UHFFFAOYSA-N 2 2 231.343 2.630 20 0 BFADLP CC(C)C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423196959 387981853 /nfs/dbraw/zinc/98/18/53/387981853.db2.gz XASBNKWVIYZOTB-UKRRQHHQSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423188592 387974453 /nfs/dbraw/zinc/97/44/53/387974453.db2.gz LRAYEBKBQQAXIN-XUJVJEKNSA-N 2 2 230.355 2.577 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1F ZINC000424329859 387974660 /nfs/dbraw/zinc/97/46/60/387974660.db2.gz GYCYFOPGEYRLOU-ZLKJLUDKSA-N 2 2 236.334 2.746 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453063018 387976759 /nfs/dbraw/zinc/97/67/59/387976759.db2.gz GLVDCRHTMQUFIW-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453063018 387976765 /nfs/dbraw/zinc/97/67/65/387976765.db2.gz GLVDCRHTMQUFIW-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423192156 387977765 /nfs/dbraw/zinc/97/77/65/387977765.db2.gz PQVKCHGZPVUTDK-DVOMOZLQSA-N 2 2 244.382 2.967 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)(C)C ZINC000453114544 387987302 /nfs/dbraw/zinc/98/73/02/387987302.db2.gz VWMCEYFNEADEED-VXGBXAGGSA-N 2 2 214.397 2.741 20 0 BFADLP CCCc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423201991 387987300 /nfs/dbraw/zinc/98/73/00/387987300.db2.gz JYZHRBWMNPBDIQ-DOMZBBRYSA-N 2 2 232.371 2.652 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000245873516 387990156 /nfs/dbraw/zinc/99/01/56/387990156.db2.gz SHAGSDMWBNGULP-GJZGRUSLSA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000245873516 387990161 /nfs/dbraw/zinc/99/01/61/387990161.db2.gz SHAGSDMWBNGULP-GJZGRUSLSA-N 2 2 238.419 2.983 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000423206195 387991564 /nfs/dbraw/zinc/99/15/64/387991564.db2.gz COAVPMCTJFRDTI-JKSUJKDBSA-N 2 2 244.382 2.788 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000423206194 387991975 /nfs/dbraw/zinc/99/19/75/387991975.db2.gz COAVPMCTJFRDTI-HZPDHXFCSA-N 2 2 244.382 2.788 20 0 BFADLP CCCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000423207793 387994292 /nfs/dbraw/zinc/99/42/92/387994292.db2.gz SGZQJIFOKHZFEW-HUUCEWRRSA-N 2 2 232.371 2.869 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000453088660 387981917 /nfs/dbraw/zinc/98/19/17/387981917.db2.gz OIBNGDKFZGASMF-GJZGRUSLSA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000453088660 387981922 /nfs/dbraw/zinc/98/19/22/387981922.db2.gz OIBNGDKFZGASMF-GJZGRUSLSA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000453088662 387982950 /nfs/dbraw/zinc/98/29/50/387982950.db2.gz OIBNGDKFZGASMF-LSDHHAIUSA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000453088662 387982953 /nfs/dbraw/zinc/98/29/53/387982953.db2.gz OIBNGDKFZGASMF-LSDHHAIUSA-N 2 2 247.386 2.607 20 0 BFADLP C[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)[N@H+](C)C1CC1 ZINC000453096061 387983966 /nfs/dbraw/zinc/98/39/66/387983966.db2.gz IAXIZKYEEPOVAP-IAQYHMDHSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H](C1CC1)C1CCC1)[N@@H+](C)C1CC1 ZINC000453096061 387983970 /nfs/dbraw/zinc/98/39/70/387983970.db2.gz IAXIZKYEEPOVAP-IAQYHMDHSA-N 2 2 236.403 2.637 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453098571 387984908 /nfs/dbraw/zinc/98/49/08/387984908.db2.gz VDNTWOOSHDUMEM-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453098571 387984909 /nfs/dbraw/zinc/98/49/09/387984909.db2.gz VDNTWOOSHDUMEM-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1C(C)(C)C ZINC000423211060 387995843 /nfs/dbraw/zinc/99/58/43/387995843.db2.gz XTTHOMAKDRAWHM-STQMWFEESA-N 2 2 246.398 2.997 20 0 BFADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000423215393 387997285 /nfs/dbraw/zinc/99/72/85/387997285.db2.gz NQXJRIBEFALHCC-ZFWWWQNUSA-N 2 2 244.382 2.632 20 0 BFADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000423215392 387998045 /nfs/dbraw/zinc/99/80/45/387998045.db2.gz NQXJRIBEFALHCC-UKRRQHHQSA-N 2 2 244.382 2.632 20 0 BFADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423219850 388000300 /nfs/dbraw/zinc/00/03/00/388000300.db2.gz WUZDMELKQXRBIF-VBNZEHGJSA-N 2 2 244.382 2.823 20 0 BFADLP C[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000246012264 388002864 /nfs/dbraw/zinc/00/28/64/388002864.db2.gz YROSABSKFRUNPC-OLZOCXBDSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000246012264 388002870 /nfs/dbraw/zinc/00/28/70/388002870.db2.gz YROSABSKFRUNPC-OLZOCXBDSA-N 2 2 243.354 2.955 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1ccccc1C(C)(C)C ZINC000423227404 388011098 /nfs/dbraw/zinc/01/10/98/388011098.db2.gz VOOIWCVHWGCTMV-GFCCVEGCSA-N 2 2 234.387 2.854 20 0 BFADLP C[NH2+]CC[NH2+][C@@H]1CCCc2ccc(C(C)C)cc21 ZINC000423223623 388006226 /nfs/dbraw/zinc/00/62/26/388006226.db2.gz GYJSENYWOCGVQP-MRXNPFEDSA-N 2 2 246.398 2.996 20 0 BFADLP C[NH2+]CC[NH2+][C@H](c1ccc(C)o1)C1CCCC1 ZINC000423227854 388013457 /nfs/dbraw/zinc/01/34/57/388013457.db2.gz XHRLIUCYGUGJLI-AWEZNQCLSA-N 2 2 236.359 2.628 20 0 BFADLP CCSc1ccccc1[C@@H](C)[NH2+]CC[NH2+]C ZINC000423228466 388013838 /nfs/dbraw/zinc/01/38/38/388013838.db2.gz ZSXDNHUXLVTPNU-LLVKDONJSA-N 2 2 238.400 2.669 20 0 BFADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCC2 ZINC000423232158 388016558 /nfs/dbraw/zinc/01/65/58/388016558.db2.gz HQASPQBTHGAINA-UKRRQHHQSA-N 2 2 248.345 2.545 20 0 BFADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCC2 ZINC000423232159 388017589 /nfs/dbraw/zinc/01/75/89/388017589.db2.gz HQASPQBTHGAINA-ZFWWWQNUSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1C ZINC000423234125 388019035 /nfs/dbraw/zinc/01/90/35/388019035.db2.gz KZYOWKCLCCDXIV-KBPBESRZSA-N 2 2 232.371 2.706 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(C)c1 ZINC000423235245 388019155 /nfs/dbraw/zinc/01/91/55/388019155.db2.gz NATMMAMPTHOGKV-GJZGRUSLSA-N 2 2 232.371 2.788 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000423239863 388022413 /nfs/dbraw/zinc/02/24/13/388022413.db2.gz SRPFRBVWIGWMBF-STQMWFEESA-N 2 2 238.400 2.931 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000423238977 388023118 /nfs/dbraw/zinc/02/31/18/388023118.db2.gz RMCDYAIBLJJBFZ-KGLIPLIRSA-N 2 2 236.334 2.618 20 0 BFADLP C[NH2+]CC[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000423253056 388035703 /nfs/dbraw/zinc/03/57/03/388035703.db2.gz YMGSCMWQADCEGD-CQSZACIVSA-N 2 2 232.371 2.608 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1Cl ZINC000423259739 388039080 /nfs/dbraw/zinc/03/90/80/388039080.db2.gz FSODKBVEMFTXOL-MFKMUULPSA-N 2 2 240.778 2.974 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3=CCCC3)C2)[nH]1 ZINC000645829229 388042333 /nfs/dbraw/zinc/04/23/33/388042333.db2.gz VEEAIVDVAQBRJZ-ZDUSSCGKSA-N 2 2 231.343 2.699 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3=CCCC3)C2)[nH]1 ZINC000645829229 388042338 /nfs/dbraw/zinc/04/23/38/388042338.db2.gz VEEAIVDVAQBRJZ-ZDUSSCGKSA-N 2 2 231.343 2.699 20 0 BFADLP [NH3+][C@@H](C[NH2+][C@H]1CCC12CCCC2)c1ccccc1 ZINC000423244198 388026980 /nfs/dbraw/zinc/02/69/80/388026980.db2.gz NHKZQGWKDQMNNF-GJZGRUSLSA-N 2 2 244.382 2.999 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCC1 ZINC000423244940 388027681 /nfs/dbraw/zinc/02/76/81/388027681.db2.gz IANJLCBZOJMAAU-LSDHHAIUSA-N 2 2 232.371 2.855 20 0 BFADLP Fc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423244456 388028062 /nfs/dbraw/zinc/02/80/62/388028062.db2.gz XNYWENAKNTVGKN-HUUCEWRRSA-N 2 2 248.345 2.618 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)o1 ZINC000423250097 388031218 /nfs/dbraw/zinc/03/12/18/388031218.db2.gz UPCVNTPOPLMBRP-TZMCWYRMSA-N 2 2 244.338 2.939 20 0 BFADLP [NH3+][C@@H](C[NH2+][C@H]1CCCC12CCC2)c1ccccc1 ZINC000423250301 388031571 /nfs/dbraw/zinc/03/15/71/388031571.db2.gz QCAMBYOYBZYDNY-GJZGRUSLSA-N 2 2 244.382 2.999 20 0 BFADLP CC[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1F ZINC000423274062 388053842 /nfs/dbraw/zinc/05/38/42/388053842.db2.gz JQZZBNMHAGVZIH-ZIAGYGMSSA-N 2 2 236.334 2.604 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)oc1C ZINC000423278324 388060424 /nfs/dbraw/zinc/06/04/24/388060424.db2.gz QQLOMBIPOYMAJC-JQWIXIFHSA-N 2 2 224.348 2.530 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423280354 388062710 /nfs/dbraw/zinc/06/27/10/388062710.db2.gz TXXKTRJMAAPTJL-ZANVPECISA-N 2 2 242.313 2.599 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423282856 388064982 /nfs/dbraw/zinc/06/49/82/388064982.db2.gz WQGLGYATYPOZRD-NOZJJQNGSA-N 2 2 242.313 2.599 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C(C)(C)C ZINC000453381492 388065887 /nfs/dbraw/zinc/06/58/87/388065887.db2.gz BBIJZYDIYNOHLG-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C(C)(C)C ZINC000453381492 388065890 /nfs/dbraw/zinc/06/58/90/388065890.db2.gz BBIJZYDIYNOHLG-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453393824 388068848 /nfs/dbraw/zinc/06/88/48/388068848.db2.gz IKYKCEDDSZEKLZ-TZMCWYRMSA-N 2 2 236.403 2.663 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453393824 388068853 /nfs/dbraw/zinc/06/88/53/388068853.db2.gz IKYKCEDDSZEKLZ-TZMCWYRMSA-N 2 2 236.403 2.663 20 0 BFADLP CC[C@H](F)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000440703864 388070283 /nfs/dbraw/zinc/07/02/83/388070283.db2.gz JQSZSSWMVGTWBH-ZDUSSCGKSA-N 2 2 242.382 2.685 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000084342743 388076576 /nfs/dbraw/zinc/07/65/76/388076576.db2.gz YWRXFSBYLIUUGI-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000084342743 388076578 /nfs/dbraw/zinc/07/65/78/388076578.db2.gz YWRXFSBYLIUUGI-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000423295918 388078174 /nfs/dbraw/zinc/07/81/74/388078174.db2.gz XTYUGXTWBUALLL-LBPRGKRZSA-N 2 2 235.375 2.558 20 0 BFADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000423296553 388078735 /nfs/dbraw/zinc/07/87/35/388078735.db2.gz ZJFPJKDAHYDMII-VIFPVBQESA-N 2 2 241.404 2.620 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(C)ccn1 ZINC000423296697 388079024 /nfs/dbraw/zinc/07/90/24/388079024.db2.gz HKGYXIAKJOOYLY-OLZOCXBDSA-N 2 2 235.375 2.558 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ncccc1CC ZINC000423296830 388079069 /nfs/dbraw/zinc/07/90/69/388079069.db2.gz HPOQKXYCHNTBIT-TZMCWYRMSA-N 2 2 249.402 2.812 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cncc(C)c1 ZINC000423298023 388079733 /nfs/dbraw/zinc/07/97/33/388079733.db2.gz MVGUDJSUKRELAP-JSGCOSHPSA-N 2 2 235.375 2.558 20 0 BFADLP c1sc2ccccc2c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000084566260 388080693 /nfs/dbraw/zinc/08/06/93/388080693.db2.gz OTHBJUBXGQUMIV-LBPRGKRZSA-N 2 2 246.379 2.743 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000447905483 388101300 /nfs/dbraw/zinc/10/13/00/388101300.db2.gz UJRXXKXEILPIOK-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000447905483 388101302 /nfs/dbraw/zinc/10/13/02/388101302.db2.gz UJRXXKXEILPIOK-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000086662515 388105616 /nfs/dbraw/zinc/10/56/16/388105616.db2.gz ZLSZSYATWDBPAU-JQWIXIFHSA-N 2 2 221.348 2.714 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)o1 ZINC000423266408 388045137 /nfs/dbraw/zinc/04/51/37/388045137.db2.gz RXMQIJBWXGFQQU-YPMHNXCESA-N 2 2 238.375 2.920 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449197211 388156491 /nfs/dbraw/zinc/15/64/91/388156491.db2.gz VBKSIVKVXQABSS-OUCADQQQSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449197211 388156492 /nfs/dbraw/zinc/15/64/92/388156492.db2.gz VBKSIVKVXQABSS-OUCADQQQSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449197213 388156510 /nfs/dbraw/zinc/15/65/10/388156510.db2.gz VBKSIVKVXQABSS-YRGRVCCFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449197213 388156511 /nfs/dbraw/zinc/15/65/11/388156511.db2.gz VBKSIVKVXQABSS-YRGRVCCFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000449333904 388174788 /nfs/dbraw/zinc/17/47/88/388174788.db2.gz IDHHAYMCCHQVNL-UHXUPSOCSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000449333904 388174789 /nfs/dbraw/zinc/17/47/89/388174789.db2.gz IDHHAYMCCHQVNL-UHXUPSOCSA-N 2 2 247.386 2.681 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000449335978 388174878 /nfs/dbraw/zinc/17/48/78/388174878.db2.gz MICOUZUCJMDRPQ-OLZOCXBDSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000449335978 388174880 /nfs/dbraw/zinc/17/48/80/388174880.db2.gz MICOUZUCJMDRPQ-OLZOCXBDSA-N 2 2 247.386 2.825 20 0 BFADLP CC(C)C1CC([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000488472674 388181945 /nfs/dbraw/zinc/18/19/45/388181945.db2.gz XJRZSRUYAVQGGV-NFOMZHRRSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)C1CC([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000488472674 388181946 /nfs/dbraw/zinc/18/19/46/388181946.db2.gz XJRZSRUYAVQGGV-NFOMZHRRSA-N 2 2 238.419 2.743 20 0 BFADLP c1cn(CC[N@@H+]2CCCC[C@@H]2C2CCC2)c[nH+]1 ZINC000646139049 388153576 /nfs/dbraw/zinc/15/35/76/388153576.db2.gz GNAKACGLGAYETK-CQSZACIVSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CC[N@H+]2CCCC[C@@H]2C2CCC2)c[nH+]1 ZINC000646139049 388153577 /nfs/dbraw/zinc/15/35/77/388153577.db2.gz GNAKACGLGAYETK-CQSZACIVSA-N 2 2 233.359 2.538 20 0 BFADLP CC[C@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000164409312 388238162 /nfs/dbraw/zinc/23/81/62/388238162.db2.gz AQFKAMWTYVJULR-NSHDSACASA-N 2 2 217.316 2.531 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459377800 388242639 /nfs/dbraw/zinc/24/26/39/388242639.db2.gz XRUVRKSTESVDCH-UHFFFAOYSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH+]1CCCC1)C(C)(C)C ZINC000451412738 388271423 /nfs/dbraw/zinc/27/14/23/388271423.db2.gz AWVWNDDLGMYUEF-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000235109415 388365190 /nfs/dbraw/zinc/36/51/90/388365190.db2.gz BKFCHWMNOXGUGZ-XBFCOCLRSA-N 2 2 224.392 2.519 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccc(C(C)(C)C)s1 ZINC000300845030 388398395 /nfs/dbraw/zinc/39/83/95/388398395.db2.gz RLPNDCSBDXCKSY-UHFFFAOYSA-N 2 2 240.416 2.826 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccc(C(C)(C)C)s1 ZINC000300845030 388398397 /nfs/dbraw/zinc/39/83/97/388398397.db2.gz RLPNDCSBDXCKSY-UHFFFAOYSA-N 2 2 240.416 2.826 20 0 BFADLP CC(C)SCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000308635465 388445602 /nfs/dbraw/zinc/44/56/02/388445602.db2.gz NZHSWPNONIYKRW-UHFFFAOYSA-N 2 2 244.448 2.592 20 0 BFADLP CC[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000336725587 388470029 /nfs/dbraw/zinc/47/00/29/388470029.db2.gz FXDCEYSJVDBKIP-KBPBESRZSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397586363 388481695 /nfs/dbraw/zinc/48/16/95/388481695.db2.gz APTXRCAAUXOAQJ-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C[C@H](C)CC(C)C ZINC000310036749 388474593 /nfs/dbraw/zinc/47/45/93/388474593.db2.gz UNIXXWZKCXDEAB-CQSZACIVSA-N 2 2 228.424 2.990 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C[C@H](C)CC(C)C ZINC000310036749 388474594 /nfs/dbraw/zinc/47/45/94/388474594.db2.gz UNIXXWZKCXDEAB-CQSZACIVSA-N 2 2 228.424 2.990 20 0 BFADLP CC[C@@H](C)[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000134840619 388480217 /nfs/dbraw/zinc/48/02/17/388480217.db2.gz NFTFBPHOHZYFPW-SNVBAGLBSA-N 2 2 235.356 2.822 20 0 BFADLP CC[C@H]1CCC[C@H]1[NH2+]CC[N@H+](CC)C1CC1 ZINC000167199300 388439324 /nfs/dbraw/zinc/43/93/24/388439324.db2.gz HXFQOBCBYYBKMT-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](CC)C1CC1 ZINC000167199300 388439326 /nfs/dbraw/zinc/43/93/26/388439326.db2.gz HXFQOBCBYYBKMT-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000547833252 388490651 /nfs/dbraw/zinc/49/06/51/388490651.db2.gz CJYVPJBOMIEGBE-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC1(C)C ZINC000397806095 388500962 /nfs/dbraw/zinc/50/09/62/388500962.db2.gz HDYVGGSLSGFUDO-OLZOCXBDSA-N 2 2 238.419 2.885 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397828432 388503345 /nfs/dbraw/zinc/50/33/45/388503345.db2.gz BTSIWQLUXQWZGJ-ZDUSSCGKSA-N 2 2 246.398 2.994 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C(/C)Cl ZINC000528400557 388520006 /nfs/dbraw/zinc/52/00/06/388520006.db2.gz ONNNEKRKNWDPSP-CUBYMHMKSA-N 2 2 242.794 2.688 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C(/C)Cl ZINC000528400557 388520008 /nfs/dbraw/zinc/52/00/08/388520008.db2.gz ONNNEKRKNWDPSP-CUBYMHMKSA-N 2 2 242.794 2.688 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C(/C)Cl ZINC000528400557 388520009 /nfs/dbraw/zinc/52/00/09/388520009.db2.gz ONNNEKRKNWDPSP-CUBYMHMKSA-N 2 2 242.794 2.688 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C(/C)Cl ZINC000528400557 388520012 /nfs/dbraw/zinc/52/00/12/388520012.db2.gz ONNNEKRKNWDPSP-CUBYMHMKSA-N 2 2 242.794 2.688 20 0 BFADLP C/C(Cl)=C\C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000528429530 388523339 /nfs/dbraw/zinc/52/33/39/388523339.db2.gz GDPMPTUPUZZZKG-UUILKARUSA-N 2 2 242.794 2.689 20 0 BFADLP C/C(Cl)=C\C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000528429530 388523342 /nfs/dbraw/zinc/52/33/42/388523342.db2.gz GDPMPTUPUZZZKG-UUILKARUSA-N 2 2 242.794 2.689 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000328133943 388531604 /nfs/dbraw/zinc/53/16/04/388531604.db2.gz ACEHJGKJMFJGCE-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000328133943 388531605 /nfs/dbraw/zinc/53/16/05/388531605.db2.gz ACEHJGKJMFJGCE-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@H]3CCC[C@H]32)c[nH+]1 ZINC000245848554 388606551 /nfs/dbraw/zinc/60/65/51/388606551.db2.gz FMVFDHJDAUFFKI-ZIAGYGMSSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@H]3CCC[C@H]32)c[nH+]1 ZINC000245848554 388606553 /nfs/dbraw/zinc/60/65/53/388606553.db2.gz FMVFDHJDAUFFKI-ZIAGYGMSSA-N 2 2 233.359 2.538 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000550937624 388618337 /nfs/dbraw/zinc/61/83/37/388618337.db2.gz KFTZZESSJKOSEA-YDHLFZDLSA-N 2 2 234.387 2.558 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000550937624 388618340 /nfs/dbraw/zinc/61/83/40/388618340.db2.gz KFTZZESSJKOSEA-YDHLFZDLSA-N 2 2 234.387 2.558 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884678 388568498 /nfs/dbraw/zinc/56/84/98/388568498.db2.gz BTNZGZQVVZPQKX-BYNSBNAKSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884678 388568501 /nfs/dbraw/zinc/56/85/01/388568501.db2.gz BTNZGZQVVZPQKX-BYNSBNAKSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000124991446 388667084 /nfs/dbraw/zinc/66/70/84/388667084.db2.gz GOMFVTIJODMBGB-LLVKDONJSA-N 2 2 217.316 2.531 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCC1 ZINC000248199453 388675040 /nfs/dbraw/zinc/67/50/40/388675040.db2.gz YDTVCMIZNPVGPW-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CCC1 ZINC000248199453 388675042 /nfs/dbraw/zinc/67/50/42/388675042.db2.gz YDTVCMIZNPVGPW-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1F ZINC000530176021 388620892 /nfs/dbraw/zinc/62/08/92/388620892.db2.gz ABSZDNLXDLUQOR-CQSZACIVSA-N 2 2 248.345 2.508 20 0 BFADLP Cc1cc(F)ccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178751 388621029 /nfs/dbraw/zinc/62/10/29/388621029.db2.gz QIGQGAYZBFEEFW-AWEZNQCLSA-N 2 2 248.345 2.508 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)ccc1F ZINC000530179093 388621725 /nfs/dbraw/zinc/62/17/25/388621725.db2.gz SXVMTXYYHSIJLD-AWEZNQCLSA-N 2 2 248.345 2.508 20 0 BFADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218170 388630222 /nfs/dbraw/zinc/63/02/22/388630222.db2.gz HYTPNOAVWYJPTM-LSDHHAIUSA-N 2 2 242.366 2.548 20 0 BFADLP CC(C)C(C[NH2+][C@@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000551593249 388634259 /nfs/dbraw/zinc/63/42/59/388634259.db2.gz ZDFHITYPADYFRG-CYBMUJFWSA-N 2 2 249.402 2.716 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccoc1 ZINC000537944189 388654578 /nfs/dbraw/zinc/65/45/78/388654578.db2.gz RHTCJCDFJXXEFE-GFCCVEGCSA-N 2 2 230.311 2.876 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000249992868 388735509 /nfs/dbraw/zinc/73/55/09/388735509.db2.gz NIDYFXHQZXMGAX-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000249992868 388735510 /nfs/dbraw/zinc/73/55/10/388735510.db2.gz NIDYFXHQZXMGAX-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000249039156 388705963 /nfs/dbraw/zinc/70/59/63/388705963.db2.gz UQQAZYUQFFMEAJ-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000249039156 388705966 /nfs/dbraw/zinc/70/59/66/388705966.db2.gz UQQAZYUQFFMEAJ-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C[C@@H]1C ZINC000554094313 388799228 /nfs/dbraw/zinc/79/92/28/388799228.db2.gz DBEMWZMXPDJPCL-AJNGGQMLSA-N 2 2 240.435 2.987 20 0 BFADLP CCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000253159120 388807409 /nfs/dbraw/zinc/80/74/09/388807409.db2.gz QYWQGLXXBPYFIO-IHRRRGAJSA-N 2 2 235.375 2.955 20 0 BFADLP CCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000253159120 388807412 /nfs/dbraw/zinc/80/74/12/388807412.db2.gz QYWQGLXXBPYFIO-IHRRRGAJSA-N 2 2 235.375 2.955 20 0 BFADLP CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000540481102 388807906 /nfs/dbraw/zinc/80/79/06/388807906.db2.gz KMBZFOLRYNDDNV-CHWSQXEVSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000540481102 388807912 /nfs/dbraw/zinc/80/79/12/388807912.db2.gz KMBZFOLRYNDDNV-CHWSQXEVSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000540481114 388808129 /nfs/dbraw/zinc/80/81/29/388808129.db2.gz KMBZFOLRYNDDNV-STQMWFEESA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@H]1C[C@H](C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000540481114 388808132 /nfs/dbraw/zinc/80/81/32/388808132.db2.gz KMBZFOLRYNDDNV-STQMWFEESA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000253191781 388808874 /nfs/dbraw/zinc/80/88/74/388808874.db2.gz MOYZBNVSYOKFRC-RFGFWPKPSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000253191781 388808878 /nfs/dbraw/zinc/80/88/78/388808878.db2.gz MOYZBNVSYOKFRC-RFGFWPKPSA-N 2 2 236.403 2.780 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@H](C)CC ZINC000252714683 388775252 /nfs/dbraw/zinc/77/52/52/388775252.db2.gz SPXWDLVHCCUXLB-CHWSQXEVSA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H](C)CC ZINC000252714683 388775255 /nfs/dbraw/zinc/77/52/55/388775255.db2.gz SPXWDLVHCCUXLB-CHWSQXEVSA-N 2 2 214.397 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C)CC1 ZINC000554536636 388820231 /nfs/dbraw/zinc/82/02/31/388820231.db2.gz HAVXMQJOLGKAGW-PQNSMMMDSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC(C)CC1 ZINC000554536636 388820236 /nfs/dbraw/zinc/82/02/36/388820236.db2.gz HAVXMQJOLGKAGW-PQNSMMMDSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H](C)C[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000093064618 388824930 /nfs/dbraw/zinc/82/49/30/388824930.db2.gz SARGKKFQAXJKMG-GDBMZVCRSA-N 2 2 248.414 2.795 20 0 BFADLP CC[C@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000129264470 388828039 /nfs/dbraw/zinc/82/80/39/388828039.db2.gz YGVVQAFQLQAIKL-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000129730496 388868607 /nfs/dbraw/zinc/86/86/07/388868607.db2.gz SGTIVJGIXMLIAS-RDBSUJKOSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000129730496 388868609 /nfs/dbraw/zinc/86/86/09/388868609.db2.gz SGTIVJGIXMLIAS-RDBSUJKOSA-N 2 2 234.387 2.558 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000565259660 388933467 /nfs/dbraw/zinc/93/34/67/388933467.db2.gz YNIFFUXGYBBLLH-OCCSQVGLSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC000322416063 388967075 /nfs/dbraw/zinc/96/70/75/388967075.db2.gz KEVIMLDYVGQKPS-NDNKKMJESA-N 2 2 234.343 2.555 20 0 BFADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC000322416063 388967078 /nfs/dbraw/zinc/96/70/78/388967078.db2.gz KEVIMLDYVGQKPS-NDNKKMJESA-N 2 2 234.343 2.555 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+][C@H](C)C[NH+](C)C ZINC000342228644 533392635 /nfs/dbraw/zinc/39/26/35/533392635.db2.gz YWXIRGQWMGDODJ-QLKUMGTLSA-N 2 2 232.371 2.630 20 0 BFADLP CCCC[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040772012 322833841 /nfs/dbraw/zinc/83/38/41/322833841.db2.gz PKKQOBARUJSCNI-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000335997567 134042444 /nfs/dbraw/zinc/04/24/44/134042444.db2.gz JTEVLNWKPCUXEV-KGLIPLIRSA-N 2 2 245.370 2.566 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000335997567 134042445 /nfs/dbraw/zinc/04/24/45/134042445.db2.gz JTEVLNWKPCUXEV-KGLIPLIRSA-N 2 2 245.370 2.566 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]CC1CCCCCC1)C2 ZINC000336005111 134048795 /nfs/dbraw/zinc/04/87/95/134048795.db2.gz PQFQOKIGDNWYGB-ZDUSSCGKSA-N 2 2 247.386 2.827 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]CC1CCCCCC1)CC2 ZINC000336005111 134048796 /nfs/dbraw/zinc/04/87/96/134048796.db2.gz PQFQOKIGDNWYGB-ZDUSSCGKSA-N 2 2 247.386 2.827 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CCC3(CC3)CC1)CC2 ZINC000336100026 134081429 /nfs/dbraw/zinc/08/14/29/134081429.db2.gz PTWHDRUEHGNUMB-ZDUSSCGKSA-N 2 2 245.370 2.510 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000336148058 134103002 /nfs/dbraw/zinc/10/30/02/134103002.db2.gz UGKALDCQCYUCNS-NEPJUHHUSA-N 2 2 229.327 2.613 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1C ZINC000336194605 134125265 /nfs/dbraw/zinc/12/52/65/134125265.db2.gz RUMHDHZDWPXVOX-ZIAGYGMSSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H]1C ZINC000336194605 134125266 /nfs/dbraw/zinc/12/52/66/134125266.db2.gz RUMHDHZDWPXVOX-ZIAGYGMSSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H]1C ZINC000336194605 134125267 /nfs/dbraw/zinc/12/52/67/134125267.db2.gz RUMHDHZDWPXVOX-ZIAGYGMSSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H]1C ZINC000336194605 134125268 /nfs/dbraw/zinc/12/52/68/134125268.db2.gz RUMHDHZDWPXVOX-ZIAGYGMSSA-N 2 2 224.392 2.734 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000218925772 134268897 /nfs/dbraw/zinc/26/88/97/134268897.db2.gz YVUZCIUHEVVVAO-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000218925772 134268898 /nfs/dbraw/zinc/26/88/98/134268898.db2.gz YVUZCIUHEVVVAO-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@H](C)C1)Cn1cc[nH+]c1 ZINC000174317846 134280507 /nfs/dbraw/zinc/28/05/07/134280507.db2.gz KVTSSUHHMFCBBO-BFHYXJOUSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000222034686 134329296 /nfs/dbraw/zinc/32/92/96/134329296.db2.gz KCIDHOAEMJOQDE-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000222816891 134334951 /nfs/dbraw/zinc/33/49/51/134334951.db2.gz ZENOPBHRWKTXKD-DYEKYZERSA-N 2 2 224.392 2.636 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000222816891 134334952 /nfs/dbraw/zinc/33/49/52/134334952.db2.gz ZENOPBHRWKTXKD-DYEKYZERSA-N 2 2 224.392 2.636 20 0 BFADLP CC[N@H+](CC[NH2+]C1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000223062348 134336221 /nfs/dbraw/zinc/33/62/21/134336221.db2.gz AMBROLDJSTXULP-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+]C1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000223062348 134336222 /nfs/dbraw/zinc/33/62/22/134336222.db2.gz AMBROLDJSTXULP-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCCC[C@@H]1C ZINC000226736935 134370663 /nfs/dbraw/zinc/37/06/63/134370663.db2.gz OAHDCJHHNGOXAN-STQMWFEESA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCCCC[C@@H]1C ZINC000226736935 134370664 /nfs/dbraw/zinc/37/06/64/134370664.db2.gz OAHDCJHHNGOXAN-STQMWFEESA-N 2 2 212.381 2.624 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000227574920 134385776 /nfs/dbraw/zinc/38/57/76/134385776.db2.gz UTYKQRHYASFWHA-XQQFMLRXSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@@H]1CCC[C@H]([NH2+]CC[NH+](C)C)C1 ZINC000230764446 134529534 /nfs/dbraw/zinc/52/95/34/134529534.db2.gz RJWSXZHPXRUOQH-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000248420553 135008366 /nfs/dbraw/zinc/00/83/66/135008366.db2.gz LUKYMYHFIQEZBR-ILXRZTDVSA-N 2 2 247.386 2.784 20 0 BFADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000248420553 135008368 /nfs/dbraw/zinc/00/83/68/135008368.db2.gz LUKYMYHFIQEZBR-ILXRZTDVSA-N 2 2 247.386 2.784 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)[NH+](C)C ZINC000070760266 135011759 /nfs/dbraw/zinc/01/17/59/135011759.db2.gz ZJMNSHMLDSMPJY-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCCC3)C[N@@H+]1C1CC1 ZINC000249029321 135030428 /nfs/dbraw/zinc/03/04/28/135030428.db2.gz FBBKJIKNFACXKB-NFAWXSAZSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC23CCCC3)C[N@H+]1C1CC1 ZINC000249029321 135030431 /nfs/dbraw/zinc/03/04/31/135030431.db2.gz FBBKJIKNFACXKB-NFAWXSAZSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000235589351 135047566 /nfs/dbraw/zinc/04/75/66/135047566.db2.gz LLSXUKGMMJAPDS-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000250318020 135051873 /nfs/dbraw/zinc/05/18/73/135051873.db2.gz MRRQUHASHQPKOO-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000250318020 135051875 /nfs/dbraw/zinc/05/18/75/135051875.db2.gz MRRQUHASHQPKOO-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+](Cc1cccc(Cl)c1)C1(C[NH3+])CCC1 ZINC000086475017 135085599 /nfs/dbraw/zinc/08/55/99/135085599.db2.gz XLCWZGASWITXHB-UHFFFAOYSA-N 2 2 238.762 2.653 20 0 BFADLP C[N@@H+](Cc1cccc(Cl)c1)C1(C[NH3+])CCC1 ZINC000086475017 135085601 /nfs/dbraw/zinc/08/56/01/135085601.db2.gz XLCWZGASWITXHB-UHFFFAOYSA-N 2 2 238.762 2.653 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C[C@H]1C)[NH+](C)C ZINC000252155156 135085972 /nfs/dbraw/zinc/08/59/72/135085972.db2.gz PAXWFXWAMPLRKW-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H](C)[NH+](C)C ZINC000252458305 135089349 /nfs/dbraw/zinc/08/93/49/135089349.db2.gz YOJXBLQDCVFGOI-AVGNSLFASA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000252731435 135105021 /nfs/dbraw/zinc/10/50/21/135105021.db2.gz PXDPVTLYHVLCBC-AGIUHOORSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000252731435 135105022 /nfs/dbraw/zinc/10/50/22/135105022.db2.gz PXDPVTLYHVLCBC-AGIUHOORSA-N 2 2 236.403 2.780 20 0 BFADLP CC1(C)CC[C@H]([N@@H+]2CCC[NH+]3CCC[C@H]3C2)C1 ZINC000252816530 135111991 /nfs/dbraw/zinc/11/19/91/135111991.db2.gz WUTCDYCWHVAKRO-KBPBESRZSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@H]([N@H+]2CCC[NH+]3CCC[C@H]3C2)C1 ZINC000252816530 135111994 /nfs/dbraw/zinc/11/19/94/135111994.db2.gz WUTCDYCWHVAKRO-KBPBESRZSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@H]([NH+]2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252816530 135111996 /nfs/dbraw/zinc/11/19/96/135111996.db2.gz WUTCDYCWHVAKRO-KBPBESRZSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@H]([NH+]2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC000252816530 135111998 /nfs/dbraw/zinc/11/19/98/135111998.db2.gz WUTCDYCWHVAKRO-KBPBESRZSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000253197320 135124054 /nfs/dbraw/zinc/12/40/54/135124054.db2.gz URXRNZAQWUJQEF-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CC1)[N@H+]1CCCC[C@H]1C ZINC000253197320 135124056 /nfs/dbraw/zinc/12/40/56/135124056.db2.gz URXRNZAQWUJQEF-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000261531427 135160363 /nfs/dbraw/zinc/16/03/63/135160363.db2.gz GMAWECJFGFEQAV-SECBINFHSA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000261531427 135160365 /nfs/dbraw/zinc/16/03/65/135160365.db2.gz GMAWECJFGFEQAV-SECBINFHSA-N 2 2 244.791 2.572 20 0 BFADLP C[C@H]1C[N@H+](Cc2sccc2Cl)CC[C@@H]1[NH3+] ZINC000261538200 135175619 /nfs/dbraw/zinc/17/56/19/135175619.db2.gz XLJCEPJYLLCBQZ-WPRPVWTQSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@@H+](Cc2sccc2Cl)CC[C@@H]1[NH3+] ZINC000261538200 135175620 /nfs/dbraw/zinc/17/56/20/135175620.db2.gz XLJCEPJYLLCBQZ-WPRPVWTQSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1[NH3+] ZINC000261548462 135187020 /nfs/dbraw/zinc/18/70/20/135187020.db2.gz BJDMTFGHSYNXGS-SWLSCSKDSA-N 2 2 246.398 2.763 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1[NH3+] ZINC000261548462 135187021 /nfs/dbraw/zinc/18/70/21/135187021.db2.gz BJDMTFGHSYNXGS-SWLSCSKDSA-N 2 2 246.398 2.763 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261559298 135200258 /nfs/dbraw/zinc/20/02/58/135200258.db2.gz TVILOWWBGCRQIE-DOMZBBRYSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261559298 135200260 /nfs/dbraw/zinc/20/02/60/135200260.db2.gz TVILOWWBGCRQIE-DOMZBBRYSA-N 2 2 232.371 2.732 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000261584403 135224808 /nfs/dbraw/zinc/22/48/08/135224808.db2.gz SEIHNYOKYFSUOI-LRDDRELGSA-N 2 2 240.350 2.761 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000261584403 135224809 /nfs/dbraw/zinc/22/48/09/135224809.db2.gz SEIHNYOKYFSUOI-LRDDRELGSA-N 2 2 240.350 2.761 20 0 BFADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccccc1Cl ZINC000261586651 135227603 /nfs/dbraw/zinc/22/76/03/135227603.db2.gz RGZJZLAJHGNDNK-ZDUSSCGKSA-N 2 2 240.778 2.803 20 0 BFADLP CCC(C)(C)[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261592920 135233452 /nfs/dbraw/zinc/23/34/52/135233452.db2.gz WHHYIDGNNHDGAJ-LLVKDONJSA-N 2 2 212.381 2.624 20 0 BFADLP CCC(C)(C)[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261592920 135233454 /nfs/dbraw/zinc/23/34/54/135233454.db2.gz WHHYIDGNNHDGAJ-LLVKDONJSA-N 2 2 212.381 2.624 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000342947688 135337877 /nfs/dbraw/zinc/33/78/77/135337877.db2.gz TWURZPMSBKWIHP-GDBMZVCRSA-N 2 2 246.398 2.549 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000342947688 135337879 /nfs/dbraw/zinc/33/78/79/135337879.db2.gz TWURZPMSBKWIHP-GDBMZVCRSA-N 2 2 246.398 2.549 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000334347431 135366516 /nfs/dbraw/zinc/36/65/16/135366516.db2.gz XKDATLTYFVODCU-STQMWFEESA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000334347431 135366518 /nfs/dbraw/zinc/36/65/18/135366518.db2.gz XKDATLTYFVODCU-STQMWFEESA-N 2 2 235.375 2.560 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000348090569 136035140 /nfs/dbraw/zinc/03/51/40/136035140.db2.gz WEJGVVRBPWIEKO-OCCSQVGLSA-N 2 2 247.386 2.540 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000348112707 136037294 /nfs/dbraw/zinc/03/72/94/136037294.db2.gz QSMWAWRPCZSEQR-RDBSUJKOSA-N 2 2 247.386 2.847 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000348115192 136037578 /nfs/dbraw/zinc/03/75/78/136037578.db2.gz YYPHJQKCRJOBGO-OLZOCXBDSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCC(F)(F)CC1 ZINC000348287934 136062069 /nfs/dbraw/zinc/06/20/69/136062069.db2.gz IREUMDYRHSZDAE-WDEREUQCSA-N 2 2 248.361 2.740 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1C[C@H](c2ccccc2)C1(C)C ZINC000348326223 136070578 /nfs/dbraw/zinc/07/05/78/136070578.db2.gz MCPCXCIGRAJPCH-HUUCEWRRSA-N 2 2 246.398 2.720 20 0 BFADLP F[C@H]1CCC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000335370869 136083261 /nfs/dbraw/zinc/08/32/61/136083261.db2.gz AKYKMSGFKAPMBG-RYUDHWBXSA-N 2 2 247.317 2.705 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C3CC(C)(F)C3)n2c1 ZINC000335372924 136084376 /nfs/dbraw/zinc/08/43/76/136084376.db2.gz CKCTWGZQPZZGIA-UHFFFAOYSA-N 2 2 247.317 2.623 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCC13CCCC3)C2 ZINC000335375046 136085112 /nfs/dbraw/zinc/08/51/12/136085112.db2.gz VQEZYDWYXBIREZ-SMDDNHRTSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC13CCCC3)CC2 ZINC000335375046 136085113 /nfs/dbraw/zinc/08/51/13/136085113.db2.gz VQEZYDWYXBIREZ-SMDDNHRTSA-N 2 2 245.370 2.579 20 0 BFADLP CCC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000379734382 397960211 /nfs/dbraw/zinc/96/02/11/397960211.db2.gz CMIRNHYLIZPSNX-UHFFFAOYSA-N 2 2 241.338 2.905 20 0 BFADLP C[C@H]1CC[C@@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000433043171 397915742 /nfs/dbraw/zinc/91/57/42/397915742.db2.gz ZZXBKODAGUXLCW-QWHCGFSZSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1CC[C@@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000433043171 397915746 /nfs/dbraw/zinc/91/57/46/397915746.db2.gz ZZXBKODAGUXLCW-QWHCGFSZSA-N 2 2 243.354 2.955 20 0 BFADLP Cc1c[nH+]ccc1OC1CC[NH+](C(C)C)CC1 ZINC000278600315 398040336 /nfs/dbraw/zinc/04/03/36/398040336.db2.gz LSPBSMRFBLAFJJ-UHFFFAOYSA-N 2 2 234.343 2.642 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC[NH+](C)C)c(C)c1 ZINC000022145041 397972598 /nfs/dbraw/zinc/97/25/98/397972598.db2.gz RWBZEMKCUWTUDJ-CYBMUJFWSA-N 2 2 220.360 2.516 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C1(C2CCC2)CC1 ZINC000649811505 398116169 /nfs/dbraw/zinc/11/61/69/398116169.db2.gz VDFSUDBMXLDKMS-UHFFFAOYSA-N 2 2 230.355 2.855 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000252368557 322872045 /nfs/dbraw/zinc/87/20/45/322872045.db2.gz SNGUYUWEOWHQNZ-IHRRRGAJSA-N 2 2 228.424 2.987 20 0 BFADLP CC(C)[NH2+]C[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000052381733 167113486 /nfs/dbraw/zinc/11/34/86/167113486.db2.gz OWANKRZIYLVXTR-CQSZACIVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@H]1CCCCC1(C)C ZINC000662275623 487529553 /nfs/dbraw/zinc/52/95/53/487529553.db2.gz CZLIONGYLDSUOF-XQQFMLRXSA-N 2 2 224.392 2.624 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@H]1CCCCC1(C)C ZINC000662275623 487529556 /nfs/dbraw/zinc/52/95/56/487529556.db2.gz CZLIONGYLDSUOF-XQQFMLRXSA-N 2 2 224.392 2.624 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000393351782 487573866 /nfs/dbraw/zinc/57/38/66/487573866.db2.gz KDDRGYYEZXAUPB-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000393351782 487573872 /nfs/dbraw/zinc/57/38/72/487573872.db2.gz KDDRGYYEZXAUPB-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000556418139 322911708 /nfs/dbraw/zinc/91/17/08/322911708.db2.gz QSCHJYLHISVVNS-GFCCVEGCSA-N 2 2 223.364 2.688 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000383173469 487590496 /nfs/dbraw/zinc/59/04/96/487590496.db2.gz OFEJKAHGBPVBEU-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000383173469 487590502 /nfs/dbraw/zinc/59/05/02/487590502.db2.gz OFEJKAHGBPVBEU-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP c1ccc([C@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000232461149 487595554 /nfs/dbraw/zinc/59/55/54/487595554.db2.gz PFNBXMYDJDHDLN-CVEARBPZSA-N 2 2 244.382 2.869 20 0 BFADLP c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232460932 487595933 /nfs/dbraw/zinc/59/59/33/487595933.db2.gz DVFZVWARIDOLND-GDBMZVCRSA-N 2 2 244.382 2.796 20 0 BFADLP c1ccc([C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000232475824 487597243 /nfs/dbraw/zinc/59/72/43/487597243.db2.gz PFNBXMYDJDHDLN-JKSUJKDBSA-N 2 2 244.382 2.869 20 0 BFADLP c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232475962 487597174 /nfs/dbraw/zinc/59/71/74/487597174.db2.gz DVFZVWARIDOLND-GOEBONIOSA-N 2 2 244.382 2.796 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2CC(C)C)n1C ZINC000667502455 487600494 /nfs/dbraw/zinc/60/04/94/487600494.db2.gz FBCGZSWINKKPOA-CYBMUJFWSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2CC(C)C)n1C ZINC000667502455 487600500 /nfs/dbraw/zinc/60/05/00/487600500.db2.gz FBCGZSWINKKPOA-CYBMUJFWSA-N 2 2 235.375 2.739 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662374819 409681610 /nfs/dbraw/zinc/68/16/10/409681610.db2.gz OQPFFQBILINYHZ-ZNMIVQPWSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662374819 409681614 /nfs/dbraw/zinc/68/16/14/409681614.db2.gz OQPFFQBILINYHZ-ZNMIVQPWSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662374819 409681619 /nfs/dbraw/zinc/68/16/19/409681619.db2.gz OQPFFQBILINYHZ-ZNMIVQPWSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662374819 409681624 /nfs/dbraw/zinc/68/16/24/409681624.db2.gz OQPFFQBILINYHZ-ZNMIVQPWSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000308699489 409902563 /nfs/dbraw/zinc/90/25/63/409902563.db2.gz IJVXQQMKGGCFKJ-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000308699489 409902569 /nfs/dbraw/zinc/90/25/69/409902569.db2.gz IJVXQQMKGGCFKJ-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](CC(C)C)C(C)C)n1C ZINC000667530528 487612485 /nfs/dbraw/zinc/61/24/85/487612485.db2.gz AAJKKBZFSDODCL-UHFFFAOYSA-N 2 2 223.364 2.595 20 0 BFADLP Cc1[nH+]cc(C[N@H+](CC(C)C)C(C)C)n1C ZINC000667530528 487612490 /nfs/dbraw/zinc/61/24/90/487612490.db2.gz AAJKKBZFSDODCL-UHFFFAOYSA-N 2 2 223.364 2.595 20 0 BFADLP CCc1cc[nH+]cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651979300 410111653 /nfs/dbraw/zinc/11/16/53/410111653.db2.gz IIQKYWOJNHHATM-UONOGXRCSA-N 2 2 245.370 2.683 20 0 BFADLP CCc1cc[nH+]cc1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651979300 410111660 /nfs/dbraw/zinc/11/16/60/410111660.db2.gz IIQKYWOJNHHATM-UONOGXRCSA-N 2 2 245.370 2.683 20 0 BFADLP c1cn(CC[N@@H+]2CCCC3(CCCC3)CC2)c[nH+]1 ZINC000661231201 410380652 /nfs/dbraw/zinc/38/06/52/410380652.db2.gz KMTZQKNCMHLMOV-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP c1cn(CC[N@H+]2CCCC3(CCCC3)CC2)c[nH+]1 ZINC000661231201 410380656 /nfs/dbraw/zinc/38/06/56/410380656.db2.gz KMTZQKNCMHLMOV-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665238326 410726087 /nfs/dbraw/zinc/72/60/87/410726087.db2.gz WAKXEAQWHGVRIA-SMDDNHRTSA-N 2 2 244.338 2.520 20 0 BFADLP Cc1ccc2oc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2c1 ZINC000665261445 410737430 /nfs/dbraw/zinc/73/74/30/410737430.db2.gz CPEBRZVFCNVGLG-ZIAGYGMSSA-N 2 2 244.338 2.711 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000665294155 410783122 /nfs/dbraw/zinc/78/31/22/410783122.db2.gz JLJKLDOVFJSLEF-CHWSQXEVSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000665297423 410814560 /nfs/dbraw/zinc/81/45/60/410814560.db2.gz FQOGXXRSGAAPIZ-YUMQZZPRSA-N 2 2 232.780 2.660 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000665298514 410832542 /nfs/dbraw/zinc/83/25/42/410832542.db2.gz XHIIVEUWOPCFOK-NWDGAFQWSA-N 2 2 246.354 3.000 20 0 BFADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000111219078 167094543 /nfs/dbraw/zinc/09/45/43/167094543.db2.gz HZGNQYLACWCEHJ-ZDUSSCGKSA-N 2 2 247.386 2.605 20 0 BFADLP CC(C)[NH2+]C1CC[NH+](Cc2ccsc2)CC1 ZINC000127749935 167095478 /nfs/dbraw/zinc/09/54/78/167095478.db2.gz ZVKXMVUAVMTMQB-UHFFFAOYSA-N 2 2 238.400 2.711 20 0 BFADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000264457846 167095686 /nfs/dbraw/zinc/09/56/86/167095686.db2.gz JOKZLYKQAVADNQ-CYBMUJFWSA-N 2 2 247.386 2.605 20 0 BFADLP CC(C)[NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186876234 167111240 /nfs/dbraw/zinc/11/12/40/167111240.db2.gz QRBXGGIKBNTJFT-INIZCTEOSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)[NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186876234 167111243 /nfs/dbraw/zinc/11/12/43/167111243.db2.gz QRBXGGIKBNTJFT-INIZCTEOSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000052417392 167114070 /nfs/dbraw/zinc/11/40/70/167114070.db2.gz FTRCKXGWAWKLOO-ZDUSSCGKSA-N 2 2 220.360 2.505 20 0 BFADLP CC(C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417392 167114072 /nfs/dbraw/zinc/11/40/72/167114072.db2.gz FTRCKXGWAWKLOO-ZDUSSCGKSA-N 2 2 220.360 2.505 20 0 BFADLP CC(C)[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000186330884 167132787 /nfs/dbraw/zinc/13/27/87/167132787.db2.gz VDBXPMUBDVJLLR-GXTWGEPZSA-N 2 2 220.360 2.676 20 0 BFADLP CC(C)[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000186330905 167138460 /nfs/dbraw/zinc/13/84/60/167138460.db2.gz VDBXPMUBDVJLLR-TZMCWYRMSA-N 2 2 220.360 2.676 20 0 BFADLP CC(C)[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163801294 167379699 /nfs/dbraw/zinc/37/96/99/167379699.db2.gz NOYGGZUABCYLDF-GFCCVEGCSA-N 2 2 221.348 2.518 20 0 BFADLP CC(C)[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130581538 167382001 /nfs/dbraw/zinc/38/20/01/167382001.db2.gz TZNFGLNHQHBHTF-GFCCVEGCSA-N 2 2 231.343 2.511 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651694623 411136788 /nfs/dbraw/zinc/13/67/88/411136788.db2.gz KQOYFMFSHZAYMV-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651694623 411136789 /nfs/dbraw/zinc/13/67/89/411136789.db2.gz KQOYFMFSHZAYMV-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000651750140 411140917 /nfs/dbraw/zinc/14/09/17/411140917.db2.gz XURFCKLKUPCOCB-ZIAGYGMSSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000651767834 411142861 /nfs/dbraw/zinc/14/28/61/411142861.db2.gz MYHCGKPJNKHHKG-HZSPNIEDSA-N 2 2 247.386 2.756 20 0 BFADLP Cc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)o1 ZINC000651866534 411148007 /nfs/dbraw/zinc/14/80/07/411148007.db2.gz HZJKCNCCJPTERX-UHFFFAOYSA-N 2 2 238.375 2.656 20 0 BFADLP Cc1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)o1 ZINC000651866534 411148008 /nfs/dbraw/zinc/14/80/08/411148008.db2.gz HZJKCNCCJPTERX-UHFFFAOYSA-N 2 2 238.375 2.656 20 0 BFADLP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CC1CCCC1 ZINC000069311531 411156819 /nfs/dbraw/zinc/15/68/19/411156819.db2.gz BGRMAKVLNREHOD-MRXNPFEDSA-N 2 2 244.382 2.735 20 0 BFADLP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CC1CCCC1 ZINC000069311531 411156823 /nfs/dbraw/zinc/15/68/23/411156823.db2.gz BGRMAKVLNREHOD-MRXNPFEDSA-N 2 2 244.382 2.735 20 0 BFADLP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CC1CCCC1 ZINC000069311534 411157117 /nfs/dbraw/zinc/15/71/17/411157117.db2.gz BGRMAKVLNREHOD-INIZCTEOSA-N 2 2 244.382 2.735 20 0 BFADLP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CC1CCCC1 ZINC000069311534 411157122 /nfs/dbraw/zinc/15/71/22/411157122.db2.gz BGRMAKVLNREHOD-INIZCTEOSA-N 2 2 244.382 2.735 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660000201 411164893 /nfs/dbraw/zinc/16/48/93/411164893.db2.gz PXKDYLQQDZPQSR-TUVASFSCSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660000201 411164896 /nfs/dbraw/zinc/16/48/96/411164896.db2.gz PXKDYLQQDZPQSR-TUVASFSCSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658091398 411242380 /nfs/dbraw/zinc/24/23/80/411242380.db2.gz MCMVSDQEDWJXBP-STQMWFEESA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658091398 411242383 /nfs/dbraw/zinc/24/23/83/411242383.db2.gz MCMVSDQEDWJXBP-STQMWFEESA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092930 411242750 /nfs/dbraw/zinc/24/27/50/411242750.db2.gz SIFQNPKUGDHERT-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092930 411242751 /nfs/dbraw/zinc/24/27/51/411242751.db2.gz SIFQNPKUGDHERT-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccoc1 ZINC000652222257 411175328 /nfs/dbraw/zinc/17/53/28/411175328.db2.gz ISXOSGACSFKLHB-CYBMUJFWSA-N 2 2 238.375 2.908 20 0 BFADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccoc1 ZINC000652222257 411175332 /nfs/dbraw/zinc/17/53/32/411175332.db2.gz ISXOSGACSFKLHB-CYBMUJFWSA-N 2 2 238.375 2.908 20 0 BFADLP Cc1cccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)[nH+]1 ZINC000656227717 411213843 /nfs/dbraw/zinc/21/38/43/411213843.db2.gz SUVCXLCIKRWTTK-ZIAGYGMSSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cccc(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)[nH+]1 ZINC000656227717 411213845 /nfs/dbraw/zinc/21/38/45/411213845.db2.gz SUVCXLCIKRWTTK-ZIAGYGMSSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000656225153 411214212 /nfs/dbraw/zinc/21/42/12/411214212.db2.gz DUTUGEKJPDVNPZ-KBPBESRZSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000656225153 411214213 /nfs/dbraw/zinc/21/42/13/411214213.db2.gz DUTUGEKJPDVNPZ-KBPBESRZSA-N 2 2 245.370 2.819 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000658058129 411225498 /nfs/dbraw/zinc/22/54/98/411225498.db2.gz CXIJSQBEBRIOGS-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000658058129 411225501 /nfs/dbraw/zinc/22/55/01/411225501.db2.gz CXIJSQBEBRIOGS-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059253 411225810 /nfs/dbraw/zinc/22/58/10/411225810.db2.gz WNMLPFCIQHAXHI-YNEHKIRRSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059253 411225813 /nfs/dbraw/zinc/22/58/13/411225813.db2.gz WNMLPFCIQHAXHI-YNEHKIRRSA-N 2 2 226.408 2.883 20 0 BFADLP CCC(CC)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656278762 411228829 /nfs/dbraw/zinc/22/88/29/411228829.db2.gz UJRLICDDVVDZDH-KGLIPLIRSA-N 2 2 224.392 2.782 20 0 BFADLP CCC(CC)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656278762 411228831 /nfs/dbraw/zinc/22/88/31/411228831.db2.gz UJRLICDDVVDZDH-KGLIPLIRSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCC1(C)C ZINC000658064344 411229161 /nfs/dbraw/zinc/22/91/61/411229161.db2.gz ZMUSMUMTMLXYPE-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCC1(C)C ZINC000658064344 411229164 /nfs/dbraw/zinc/22/91/64/411229164.db2.gz ZMUSMUMTMLXYPE-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000658062990 411229777 /nfs/dbraw/zinc/22/97/77/411229777.db2.gz UIWURAAJQZUBEY-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000658062990 411229780 /nfs/dbraw/zinc/22/97/80/411229780.db2.gz UIWURAAJQZUBEY-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CCC(CC)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090216 411240566 /nfs/dbraw/zinc/24/05/66/411240566.db2.gz FNIMBQGMBVLAQE-LBPRGKRZSA-N 2 2 212.381 2.637 20 0 BFADLP CCC(CC)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090216 411240569 /nfs/dbraw/zinc/24/05/69/411240569.db2.gz FNIMBQGMBVLAQE-LBPRGKRZSA-N 2 2 212.381 2.637 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658091397 411241659 /nfs/dbraw/zinc/24/16/59/411241659.db2.gz MCMVSDQEDWJXBP-QWHCGFSZSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658091397 411241663 /nfs/dbraw/zinc/24/16/63/411241663.db2.gz MCMVSDQEDWJXBP-QWHCGFSZSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C(C)C)C1 ZINC000658285661 411322129 /nfs/dbraw/zinc/32/21/29/411322129.db2.gz MDWBTBCIQSTHQJ-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2C(C)C)C1 ZINC000658285661 411322130 /nfs/dbraw/zinc/32/21/30/411322130.db2.gz MDWBTBCIQSTHQJ-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(C)(C)C(F)F)C1 ZINC000658286022 411322399 /nfs/dbraw/zinc/32/23/99/411322399.db2.gz NPEVVTBIMGLOCO-MNOVXSKESA-N 2 2 248.361 2.740 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(C)(C)C(F)F)C1 ZINC000658286022 411322402 /nfs/dbraw/zinc/32/24/02/411322402.db2.gz NPEVVTBIMGLOCO-MNOVXSKESA-N 2 2 248.361 2.740 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C(C)C)C1 ZINC000658285666 411322563 /nfs/dbraw/zinc/32/25/63/411322563.db2.gz MDWBTBCIQSTHQJ-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2C(C)C)C1 ZINC000658285666 411322567 /nfs/dbraw/zinc/32/25/67/411322567.db2.gz MDWBTBCIQSTHQJ-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C(C)C)C1 ZINC000658285663 411323045 /nfs/dbraw/zinc/32/30/45/411323045.db2.gz MDWBTBCIQSTHQJ-RRFJBIMHSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C(C)C)C1 ZINC000658285663 411323047 /nfs/dbraw/zinc/32/30/47/411323047.db2.gz MDWBTBCIQSTHQJ-RRFJBIMHSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000658285245 411323115 /nfs/dbraw/zinc/32/31/15/411323115.db2.gz JGQQCLJGYBESFI-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000658285245 411323116 /nfs/dbraw/zinc/32/31/16/411323116.db2.gz JGQQCLJGYBESFI-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccncc1 ZINC000656677202 411323169 /nfs/dbraw/zinc/32/31/69/411323169.db2.gz RZUCGMCZTXFLER-GXTWGEPZSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccncc1 ZINC000656677202 411323171 /nfs/dbraw/zinc/32/31/71/411323171.db2.gz RZUCGMCZTXFLER-GXTWGEPZSA-N 2 2 247.386 2.605 20 0 BFADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CC2 ZINC000655769476 411251631 /nfs/dbraw/zinc/25/16/31/411251631.db2.gz ZDRNSGKZDUSGJF-ZFWWWQNUSA-N 2 2 246.398 2.830 20 0 BFADLP C[N@H+](C/C=C/c1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000656783384 411360294 /nfs/dbraw/zinc/36/02/94/411360294.db2.gz QQHMWIYACPUOLX-SNAWJCMRSA-N 2 2 236.334 2.508 20 0 BFADLP C[N@@H+](C/C=C/c1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000656783384 411360295 /nfs/dbraw/zinc/36/02/95/411360295.db2.gz QQHMWIYACPUOLX-SNAWJCMRSA-N 2 2 236.334 2.508 20 0 BFADLP Cc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1Cl ZINC000656784196 411360886 /nfs/dbraw/zinc/36/08/86/411360886.db2.gz ADMLRJZLXRFBLM-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1Cl ZINC000656784196 411360889 /nfs/dbraw/zinc/36/08/89/411360889.db2.gz ADMLRJZLXRFBLM-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656783937 411360966 /nfs/dbraw/zinc/36/09/66/411360966.db2.gz WMXYVZBASQQSPI-UHFFFAOYSA-N 2 2 246.354 2.910 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656783937 411360970 /nfs/dbraw/zinc/36/09/70/411360970.db2.gz WMXYVZBASQQSPI-UHFFFAOYSA-N 2 2 246.354 2.910 20 0 BFADLP [NH3+][C@H]1CC[N@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656786593 411366312 /nfs/dbraw/zinc/36/63/12/411366312.db2.gz NWJHMLLYWBMAQP-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+][C@H]1CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656786593 411366315 /nfs/dbraw/zinc/36/63/15/411366315.db2.gz NWJHMLLYWBMAQP-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP CC(C)(C)[NH2+]CC[NH+]1CCC(C2CCC2)CC1 ZINC000656787591 411366466 /nfs/dbraw/zinc/36/64/66/411366466.db2.gz OEDMRLYIDCBCJH-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)(CC[N@@H+]1CCn2c[nH+]cc2C1)C1CC1 ZINC000660584390 411338934 /nfs/dbraw/zinc/33/89/34/411338934.db2.gz SGZFOIZILJQYFQ-UHFFFAOYSA-N 2 2 233.359 2.525 20 0 BFADLP CC(C)(CC[N@H+]1CCn2c[nH+]cc2C1)C1CC1 ZINC000660584390 411338936 /nfs/dbraw/zinc/33/89/36/411338936.db2.gz SGZFOIZILJQYFQ-UHFFFAOYSA-N 2 2 233.359 2.525 20 0 BFADLP CC1=C(c2ccco2)C[N@H+](Cc2c[nH+]c[nH]2)CC1 ZINC000336476914 168090168 /nfs/dbraw/zinc/09/01/68/168090168.db2.gz PLZHLBYSUHEPEQ-UHFFFAOYSA-N 2 2 243.310 2.682 20 0 BFADLP CC1=C(c2ccco2)C[N@@H+](Cc2c[nH+]c[nH]2)CC1 ZINC000336476914 168090171 /nfs/dbraw/zinc/09/01/71/168090171.db2.gz PLZHLBYSUHEPEQ-UHFFFAOYSA-N 2 2 243.310 2.682 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000276765877 168103530 /nfs/dbraw/zinc/10/35/30/168103530.db2.gz NOXQKBQXRNGHCM-SOUVJXGZSA-N 2 2 247.386 2.854 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H](C)C2CCCC2)CC1 ZINC000358224689 168113551 /nfs/dbraw/zinc/11/35/51/168113551.db2.gz MMLYMIHSYYWZII-CQSZACIVSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)C2CCCC2)CC1 ZINC000358224689 168113553 /nfs/dbraw/zinc/11/35/53/168113553.db2.gz MMLYMIHSYYWZII-CQSZACIVSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000356300054 168123889 /nfs/dbraw/zinc/12/38/89/168123889.db2.gz RGZDXUJGTCNNJJ-UKRRQHHQSA-N 2 2 248.414 2.759 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000356300054 168123893 /nfs/dbraw/zinc/12/38/93/168123893.db2.gz RGZDXUJGTCNNJJ-UKRRQHHQSA-N 2 2 248.414 2.759 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291662729 168130867 /nfs/dbraw/zinc/13/08/67/168130867.db2.gz VMRCJMLFUDLQBQ-JSGCOSHPSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291662729 168130869 /nfs/dbraw/zinc/13/08/69/168130869.db2.gz VMRCJMLFUDLQBQ-JSGCOSHPSA-N 2 2 245.370 2.691 20 0 BFADLP CC(C)=CCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000662233540 411381608 /nfs/dbraw/zinc/38/16/08/411381608.db2.gz GOLPSACXCFCHFL-STQMWFEESA-N 2 2 210.365 2.544 20 0 BFADLP CC(C)=CCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000662233540 411381611 /nfs/dbraw/zinc/38/16/11/411381611.db2.gz GOLPSACXCFCHFL-STQMWFEESA-N 2 2 210.365 2.544 20 0 BFADLP C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCC(C)CC1 ZINC000042597183 168164306 /nfs/dbraw/zinc/16/43/06/168164306.db2.gz UGAAMVXJNKNOEQ-MOKVOYLWSA-N 2 2 224.392 2.639 20 0 BFADLP CC1CCC([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000336728127 168165975 /nfs/dbraw/zinc/16/59/75/168165975.db2.gz CIMKBMRBHVPVQA-YIOUJQMASA-N 2 2 224.392 2.637 20 0 BFADLP CC1CCC([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000336728127 168165977 /nfs/dbraw/zinc/16/59/77/168165977.db2.gz CIMKBMRBHVPVQA-YIOUJQMASA-N 2 2 224.392 2.637 20 0 BFADLP CC1CC[NH+](CC[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000040771703 168181439 /nfs/dbraw/zinc/18/14/39/168181439.db2.gz QVCFRZBKKQBXLM-OAHLLOKOSA-N 2 2 236.403 2.664 20 0 BFADLP CC1CC[NH+](CC[NH2+]CCC(C)(C)C)CC1 ZINC000053343335 168181873 /nfs/dbraw/zinc/18/18/73/168181873.db2.gz GDOMQCLAZXJQBM-UHFFFAOYSA-N 2 2 226.408 2.744 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[NH+]1CCC(C)CC1 ZINC000119051242 168185786 /nfs/dbraw/zinc/18/57/86/168185786.db2.gz NFUFWLCVXKXRGS-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+]C1CCCC1)[NH+]1CCC(C)CC1 ZINC000049949216 168186101 /nfs/dbraw/zinc/18/61/01/168186101.db2.gz CYEQMQAZJVUBDX-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]CCC1CCCCC1)CCC2 ZINC000657299992 411455056 /nfs/dbraw/zinc/45/50/56/411455056.db2.gz FHKQLWQEBPQRIN-UHFFFAOYSA-N 2 2 247.386 2.889 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)n1C ZINC000657285533 411443924 /nfs/dbraw/zinc/44/39/24/411443924.db2.gz HXGYMLQHXVXNGU-UHIISALHSA-N 2 2 235.375 2.643 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)n1C ZINC000657285531 411443932 /nfs/dbraw/zinc/44/39/32/411443932.db2.gz HXGYMLQHXVXNGU-JTNHKYCSSA-N 2 2 235.375 2.643 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)CC1(C)C ZINC000414764752 411445133 /nfs/dbraw/zinc/44/51/33/411445133.db2.gz ZEBLLQQXLHDQST-GFCCVEGCSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)CC1(C)C ZINC000414764752 411445135 /nfs/dbraw/zinc/44/51/35/411445135.db2.gz ZEBLLQQXLHDQST-GFCCVEGCSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccccc2)n1C ZINC000657290775 411451473 /nfs/dbraw/zinc/45/14/73/411451473.db2.gz QPAGTXCVWQHKND-LLVKDONJSA-N 2 2 229.327 2.579 20 0 BFADLP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000659845910 411475320 /nfs/dbraw/zinc/47/53/20/411475320.db2.gz RCTXXQPZYBANSF-QKPAOTATSA-N 2 2 248.414 2.593 20 0 BFADLP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000659845910 411475321 /nfs/dbraw/zinc/47/53/21/411475321.db2.gz RCTXXQPZYBANSF-QKPAOTATSA-N 2 2 248.414 2.593 20 0 BFADLP C[C@@H]1CC([NH2+]Cc2c[nH+]c3n2CCC3)C[C@@H](C)C1 ZINC000657370609 411483712 /nfs/dbraw/zinc/48/37/12/411483712.db2.gz CUHGSWTWIOZNKQ-RYUDHWBXSA-N 2 2 247.386 2.744 20 0 BFADLP C1=CCC(C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000659871654 411484225 /nfs/dbraw/zinc/48/42/25/411484225.db2.gz VNANLNYIETZRHY-OAHLLOKOSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CCC(C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000659871654 411484228 /nfs/dbraw/zinc/48/42/28/411484228.db2.gz VNANLNYIETZRHY-OAHLLOKOSA-N 2 2 234.387 2.513 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)n1C ZINC000657379658 411487370 /nfs/dbraw/zinc/48/73/70/411487370.db2.gz CMIQMMKEUUTIMW-HUUCEWRRSA-N 2 2 247.386 2.787 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]C1CCC3(CC3)CC1)CCC2 ZINC000657450159 411511120 /nfs/dbraw/zinc/51/11/20/411511120.db2.gz KLEMQXRPIZNGRB-UHFFFAOYSA-N 2 2 245.370 2.642 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2cscc2Cl)C1 ZINC000655792400 411514589 /nfs/dbraw/zinc/51/45/89/411514589.db2.gz OAWFLJDOMRIJDG-UHFFFAOYSA-N 2 2 244.791 2.584 20 0 BFADLP Cc1cccn2c(C[NH2+]C3(C)CC=CC3)c[nH+]c12 ZINC000655815167 411523874 /nfs/dbraw/zinc/52/38/74/411523874.db2.gz XLXABKIASIPPKK-UHFFFAOYSA-N 2 2 241.338 2.841 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657473948 411524292 /nfs/dbraw/zinc/52/42/92/411524292.db2.gz UZQSBLKIDGTMSU-JOCQHMNTSA-N 2 2 247.386 2.888 20 0 BFADLP CC(C)(CC[NH2+]Cc1c[nH+]c2n1CCC2)C1CC1 ZINC000657477151 411525014 /nfs/dbraw/zinc/52/50/14/411525014.db2.gz XYZHIFWBERMKFT-UHFFFAOYSA-N 2 2 247.386 2.745 20 0 BFADLP CC[C@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657478604 411526143 /nfs/dbraw/zinc/52/61/43/411526143.db2.gz MIIYHPQDUZZOQU-STQMWFEESA-N 2 2 247.386 2.745 20 0 BFADLP C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657486786 411530743 /nfs/dbraw/zinc/53/07/43/411530743.db2.gz BCDRMALLSBCQTQ-DOMZBBRYSA-N 2 2 247.386 2.888 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000328527236 170013878 /nfs/dbraw/zinc/01/38/78/170013878.db2.gz VCDOCBUIBLPUSO-BXUZGUMPSA-N 2 2 236.334 2.571 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000328527236 170013879 /nfs/dbraw/zinc/01/38/79/170013879.db2.gz VCDOCBUIBLPUSO-BXUZGUMPSA-N 2 2 236.334 2.571 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000328382963 170021000 /nfs/dbraw/zinc/02/10/00/170021000.db2.gz VTTNNIDNLSKYLP-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000328382963 170021002 /nfs/dbraw/zinc/02/10/02/170021002.db2.gz VTTNNIDNLSKYLP-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000328328392 170022512 /nfs/dbraw/zinc/02/25/12/170022512.db2.gz GSZKEDKDZBSYHJ-HOTGVXAUSA-N 2 2 244.382 2.822 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000328328392 170022514 /nfs/dbraw/zinc/02/25/14/170022514.db2.gz GSZKEDKDZBSYHJ-HOTGVXAUSA-N 2 2 244.382 2.822 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C(C)C)C1 ZINC000336779295 170029293 /nfs/dbraw/zinc/02/92/93/170029293.db2.gz NWLIFAHKFXQMPM-OLZOCXBDSA-N 2 2 226.408 2.598 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC(C)(C)C(C)C)C1 ZINC000336779295 170029294 /nfs/dbraw/zinc/02/92/94/170029294.db2.gz NWLIFAHKFXQMPM-OLZOCXBDSA-N 2 2 226.408 2.598 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(C)(C)C2CC2)C1 ZINC000339566421 170030030 /nfs/dbraw/zinc/03/00/30/170030030.db2.gz AWWKXSPLUBSUOH-OCCSQVGLSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCC(C)(C)C2CC2)C1 ZINC000339566421 170030031 /nfs/dbraw/zinc/03/00/31/170030031.db2.gz AWWKXSPLUBSUOH-OCCSQVGLSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C2CC2)C1 ZINC000339566422 170031128 /nfs/dbraw/zinc/03/11/28/170031128.db2.gz AWWKXSPLUBSUOH-TZMCWYRMSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC(C)(C)C2CC2)C1 ZINC000339566422 170031130 /nfs/dbraw/zinc/03/11/30/170031130.db2.gz AWWKXSPLUBSUOH-TZMCWYRMSA-N 2 2 238.419 2.743 20 0 BFADLP C1=CC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655858384 411540239 /nfs/dbraw/zinc/54/02/39/411540239.db2.gz ZDABXOMNVSWBTQ-HRCADAONSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655858384 411540241 /nfs/dbraw/zinc/54/02/41/411540241.db2.gz ZDABXOMNVSWBTQ-HRCADAONSA-N 2 2 248.414 2.949 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]CC(C)(C)C(C)C)[C@@H](C)C1 ZINC000336779297 170035548 /nfs/dbraw/zinc/03/55/48/170035548.db2.gz NWLIFAHKFXQMPM-STQMWFEESA-N 2 2 226.408 2.598 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)C(C)C)[C@@H](C)C1 ZINC000336779297 170035550 /nfs/dbraw/zinc/03/55/50/170035550.db2.gz NWLIFAHKFXQMPM-STQMWFEESA-N 2 2 226.408 2.598 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657525219 411543323 /nfs/dbraw/zinc/54/33/23/411543323.db2.gz POPCSDXVPZJDNX-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657525219 411543324 /nfs/dbraw/zinc/54/33/24/411543324.db2.gz POPCSDXVPZJDNX-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000655848083 411535755 /nfs/dbraw/zinc/53/57/55/411535755.db2.gz ASHGATKPGAKZHR-ZSAUSMIDSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@@H]1C ZINC000655848083 411535756 /nfs/dbraw/zinc/53/57/56/411535756.db2.gz ASHGATKPGAKZHR-ZSAUSMIDSA-N 2 2 236.403 2.637 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849311 411535855 /nfs/dbraw/zinc/53/58/55/411535855.db2.gz TWBGRVBVOGKUQB-XFIYOXNOSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849311 411535857 /nfs/dbraw/zinc/53/58/57/411535857.db2.gz TWBGRVBVOGKUQB-XFIYOXNOSA-N 2 2 248.414 2.782 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000655849231 411537357 /nfs/dbraw/zinc/53/73/57/411537357.db2.gz QVCSEAOXULLBSW-ZNMIVQPWSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000655849231 411537359 /nfs/dbraw/zinc/53/73/59/411537359.db2.gz QVCSEAOXULLBSW-ZNMIVQPWSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1CC[N@H+](CCC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000660109372 411537915 /nfs/dbraw/zinc/53/79/15/411537915.db2.gz CSUKCBBJZDGXOB-DZGCQCFKSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1CC[N@@H+](CCC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000660109372 411537918 /nfs/dbraw/zinc/53/79/18/411537918.db2.gz CSUKCBBJZDGXOB-DZGCQCFKSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CC1(C)C ZINC000657562422 411552134 /nfs/dbraw/zinc/55/21/34/411552134.db2.gz ICZWHLPAAZOJKV-YNEHKIRRSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CC1(C)C ZINC000657562422 411552135 /nfs/dbraw/zinc/55/21/35/411552135.db2.gz ICZWHLPAAZOJKV-YNEHKIRRSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564261 411552205 /nfs/dbraw/zinc/55/22/05/411552205.db2.gz YASNIMZJRRDNNA-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564261 411552206 /nfs/dbraw/zinc/55/22/06/411552206.db2.gz YASNIMZJRRDNNA-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC1(C)C ZINC000657562418 411552277 /nfs/dbraw/zinc/55/22/77/411552277.db2.gz ICZWHLPAAZOJKV-AVGNSLFASA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CC1(C)C ZINC000657562418 411552279 /nfs/dbraw/zinc/55/22/79/411552279.db2.gz ICZWHLPAAZOJKV-AVGNSLFASA-N 2 2 238.419 2.883 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC2C[C@@H](C)C[C@H](C)C2)n1C ZINC000657590154 411556172 /nfs/dbraw/zinc/55/61/72/411556172.db2.gz WDEKVOLNZHDKSK-RYUDHWBXSA-N 2 2 249.402 2.890 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@]34C[C@@H]3CCC4)n2c1 ZINC000657554265 411549283 /nfs/dbraw/zinc/54/92/83/411549283.db2.gz YDNSIRPKAYOIEU-WFASDCNBSA-N 2 2 241.338 2.675 20 0 BFADLP CC[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000657682216 411577700 /nfs/dbraw/zinc/57/77/00/411577700.db2.gz WHROTISJAWJYBL-CYBMUJFWSA-N 2 2 229.327 2.613 20 0 BFADLP CC[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000657682217 411578355 /nfs/dbraw/zinc/57/83/55/411578355.db2.gz WHROTISJAWJYBL-ZDUSSCGKSA-N 2 2 229.327 2.613 20 0 BFADLP CC1(C)C[C@@]1(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657761244 411590887 /nfs/dbraw/zinc/59/08/87/411590887.db2.gz HCLVRZXXPLQSLT-CQSZACIVSA-N 2 2 229.327 2.613 20 0 BFADLP CCCC[C@@H](CC)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660581985 411602864 /nfs/dbraw/zinc/60/28/64/411602864.db2.gz MGALHXWSYXSSAD-CYBMUJFWSA-N 2 2 235.375 2.915 20 0 BFADLP CCCC[C@@H](CC)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000660581985 411602866 /nfs/dbraw/zinc/60/28/66/411602866.db2.gz MGALHXWSYXSSAD-CYBMUJFWSA-N 2 2 235.375 2.915 20 0 BFADLP C[C@H]1CCC[C@@H](CC[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660577640 411602956 /nfs/dbraw/zinc/60/29/56/411602956.db2.gz IPMLTYHDJCDOOX-KBPBESRZSA-N 2 2 247.386 2.915 20 0 BFADLP C[C@H]1CCC[C@@H](CC[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660577640 411602958 /nfs/dbraw/zinc/60/29/58/411602958.db2.gz IPMLTYHDJCDOOX-KBPBESRZSA-N 2 2 247.386 2.915 20 0 BFADLP CC1(C)CCCC[C@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660583436 411603940 /nfs/dbraw/zinc/60/39/40/411603940.db2.gz JFEZWGYUEKRXAL-ZDUSSCGKSA-N 2 2 247.386 2.915 20 0 BFADLP CC1(C)CCCC[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000660583436 411603941 /nfs/dbraw/zinc/60/39/41/411603941.db2.gz JFEZWGYUEKRXAL-ZDUSSCGKSA-N 2 2 247.386 2.915 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657863441 411613219 /nfs/dbraw/zinc/61/32/19/411613219.db2.gz FSOMIEBXBQXHPP-SNVBAGLBSA-N 2 2 236.350 2.596 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657863441 411613221 /nfs/dbraw/zinc/61/32/21/411613221.db2.gz FSOMIEBXBQXHPP-SNVBAGLBSA-N 2 2 236.350 2.596 20 0 BFADLP Cc1cc[nH+]c(N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000664456014 411962753 /nfs/dbraw/zinc/96/27/53/411962753.db2.gz GUFGWQOJCDZKJP-AWEZNQCLSA-N 2 2 247.386 2.922 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000662233557 412031857 /nfs/dbraw/zinc/03/18/57/412031857.db2.gz GURYTDJCFRDQHS-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000662233557 412031861 /nfs/dbraw/zinc/03/18/61/412031861.db2.gz GURYTDJCFRDQHS-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000662236528 412033784 /nfs/dbraw/zinc/03/37/84/412033784.db2.gz ZRTYKKODGZWAOO-OAHLLOKOSA-N 2 2 246.398 2.907 20 0 BFADLP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000662236528 412033787 /nfs/dbraw/zinc/03/37/87/412033787.db2.gz ZRTYKKODGZWAOO-OAHLLOKOSA-N 2 2 246.398 2.907 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000129043831 171001554 /nfs/dbraw/zinc/00/15/54/171001554.db2.gz JGFFQAGKQUZUGV-HUUCEWRRSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CC ZINC000310015828 171044505 /nfs/dbraw/zinc/04/45/05/171044505.db2.gz KVNVGDMCSLIVKE-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CC ZINC000310015828 171044508 /nfs/dbraw/zinc/04/45/08/171044508.db2.gz KVNVGDMCSLIVKE-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]CC[N@H+](C)CC ZINC000054109738 171299541 /nfs/dbraw/zinc/29/95/41/171299541.db2.gz ZTTOWXYUFOACNG-STQMWFEESA-N 2 2 214.397 2.743 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]CC[N@@H+](C)CC ZINC000054109738 171299542 /nfs/dbraw/zinc/29/95/42/171299542.db2.gz ZTTOWXYUFOACNG-STQMWFEESA-N 2 2 214.397 2.743 20 0 BFADLP CC[C@H](C)[N@H+](C)CCNc1cc(C)cc[nH+]1 ZINC000220329243 171307878 /nfs/dbraw/zinc/30/78/78/171307878.db2.gz AOXJLRTWRDSGMC-LBPRGKRZSA-N 2 2 221.348 2.532 20 0 BFADLP CC[C@H](C)[N@@H+](C)CCNc1cc(C)cc[nH+]1 ZINC000220329243 171307880 /nfs/dbraw/zinc/30/78/80/171307880.db2.gz AOXJLRTWRDSGMC-LBPRGKRZSA-N 2 2 221.348 2.532 20 0 BFADLP CC(C)=CCC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000662286852 412078210 /nfs/dbraw/zinc/07/82/10/412078210.db2.gz SSXQNMCGRPUVET-INIZCTEOSA-N 2 2 244.382 2.901 20 0 BFADLP CC(C)=CCC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000662286852 412078214 /nfs/dbraw/zinc/07/82/14/412078214.db2.gz SSXQNMCGRPUVET-INIZCTEOSA-N 2 2 244.382 2.901 20 0 BFADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293521 412081985 /nfs/dbraw/zinc/08/19/85/412081985.db2.gz SWYRTSQTVVJEAY-VIFPVBQESA-N 2 2 242.313 2.695 20 0 BFADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293521 412081989 /nfs/dbraw/zinc/08/19/89/412081989.db2.gz SWYRTSQTVVJEAY-VIFPVBQESA-N 2 2 242.313 2.695 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000665245210 412189518 /nfs/dbraw/zinc/18/95/18/412189518.db2.gz BUOQALLDCLODTQ-HOCLYGCPSA-N 2 2 246.398 2.924 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)o1 ZINC000665250162 412196394 /nfs/dbraw/zinc/19/63/94/412196394.db2.gz JESWSLKMTGOKNK-LLVKDONJSA-N 2 2 222.332 2.510 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1F ZINC000665250339 412197468 /nfs/dbraw/zinc/19/74/68/412197468.db2.gz OMCXFPHMLBDYKG-NSHDSACASA-N 2 2 236.334 2.748 20 0 BFADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccs1 ZINC000665276534 412218691 /nfs/dbraw/zinc/21/86/91/412218691.db2.gz FUPDTAXSEPIIIB-QWKFWESOSA-N 2 2 236.384 2.541 20 0 BFADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(F)c1 ZINC000665280219 412224657 /nfs/dbraw/zinc/22/46/57/412224657.db2.gz WDHCGPMTOBGDRT-WPBUFGDCSA-N 2 2 248.345 2.618 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000665294057 412239015 /nfs/dbraw/zinc/23/90/15/412239015.db2.gz HIVWIAPNPRHECL-NOZJJQNGSA-N 2 2 238.762 2.525 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000665294355 412239143 /nfs/dbraw/zinc/23/91/43/412239143.db2.gz MXXAGHONUROIRN-ZYHUDNBSSA-N 2 2 246.354 3.000 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000665294354 412239525 /nfs/dbraw/zinc/23/95/25/412239525.db2.gz MXXAGHONUROIRN-PWSUYJOCSA-N 2 2 246.354 3.000 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000665294267 412239835 /nfs/dbraw/zinc/23/98/35/412239835.db2.gz LHVFZPRMQAPERP-KBPBESRZSA-N 2 2 234.387 2.870 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000665294454 412241203 /nfs/dbraw/zinc/24/12/03/412241203.db2.gz PDJODZRUXUZQSV-UWVGGRQHSA-N 2 2 226.751 2.599 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665294686 412241531 /nfs/dbraw/zinc/24/15/31/412241531.db2.gz UIBIJMMPOVKBEF-RYUDHWBXSA-N 2 2 220.360 2.508 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000665294920 412241640 /nfs/dbraw/zinc/24/16/40/412241640.db2.gz YRNCNKXHFZBBGT-XUJVJEKNSA-N 2 2 232.371 2.823 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000665296263 412242649 /nfs/dbraw/zinc/24/26/49/412242649.db2.gz PQTUKSTZHISZRT-SWLSCSKDSA-N 2 2 232.371 2.725 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000665296264 412243228 /nfs/dbraw/zinc/24/32/28/412243228.db2.gz PQTUKSTZHISZRT-WFASDCNBSA-N 2 2 232.371 2.725 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000665296745 412244295 /nfs/dbraw/zinc/24/42/95/412244295.db2.gz XIQOWDJVZLJZPM-ZJUUUORDSA-N 2 2 249.383 2.555 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000665298344 412246506 /nfs/dbraw/zinc/24/65/06/412246506.db2.gz VFFRFTCBXCCORA-JBLDHEPKSA-N 2 2 238.400 2.884 20 0 BFADLP CCn1cc[nH+]c1[C@@H](C)Nc1cc(C)cc[nH+]1 ZINC000296942643 172229470 /nfs/dbraw/zinc/22/94/70/172229470.db2.gz QMIGDOHATQPOKB-LLVKDONJSA-N 2 2 230.315 2.780 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000338003686 173033448 /nfs/dbraw/zinc/03/34/48/173033448.db2.gz TUGQYBDJESRPFA-BFHYXJOUSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000338003686 173033450 /nfs/dbraw/zinc/03/34/50/173033450.db2.gz TUGQYBDJESRPFA-BFHYXJOUSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000285547459 173055693 /nfs/dbraw/zinc/05/56/93/173055693.db2.gz ULDAHAHUGPLFKT-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc2occc2c1 ZINC000285547459 173055695 /nfs/dbraw/zinc/05/56/95/173055695.db2.gz ULDAHAHUGPLFKT-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP C[NH2+]C[C@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000129564518 173375604 /nfs/dbraw/zinc/37/56/04/173375604.db2.gz MZFFJASDPHMOKM-NSHDSACASA-N 2 2 229.327 2.502 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124386064 176020765 /nfs/dbraw/zinc/02/07/65/176020765.db2.gz MFPDFBYSJVIBGL-AWEZNQCLSA-N 2 2 243.354 2.966 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124386064 176020767 /nfs/dbraw/zinc/02/07/67/176020767.db2.gz MFPDFBYSJVIBGL-AWEZNQCLSA-N 2 2 243.354 2.966 20 0 BFADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CCC[NH2+]CC1 ZINC000022045644 176023672 /nfs/dbraw/zinc/02/36/72/176023672.db2.gz FPQJFSJORPGKPU-NSHDSACASA-N 2 2 238.762 2.696 20 0 BFADLP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[NH2+]CC1 ZINC000022045644 176023673 /nfs/dbraw/zinc/02/36/73/176023673.db2.gz FPQJFSJORPGKPU-NSHDSACASA-N 2 2 238.762 2.696 20 0 BFADLP C[C@H](C[NH2+]C1C[C@H](C)C[C@H](C)C1)Cn1cc[nH+]c1 ZINC000127360383 176054908 /nfs/dbraw/zinc/05/49/08/176054908.db2.gz YURCXDIRLKORHC-PEUVFPKISA-N 2 2 249.402 2.934 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000341487734 176084380 /nfs/dbraw/zinc/08/43/80/176084380.db2.gz PPZHSZOXPCZEIN-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)[C@@H]1C ZINC000179942022 176101374 /nfs/dbraw/zinc/10/13/74/176101374.db2.gz YROSABSKFRUNPC-CHWSQXEVSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H]1C ZINC000179942022 176101375 /nfs/dbraw/zinc/10/13/75/176101375.db2.gz YROSABSKFRUNPC-CHWSQXEVSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+]C2(C[NH+](C)C)CCC2)C1 ZINC000337268369 176138566 /nfs/dbraw/zinc/13/85/66/176138566.db2.gz XNPJJYHJGMPOFV-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@H+](CCCCF)C[C@H]1n1cc[nH+]c1 ZINC000375714711 176167838 /nfs/dbraw/zinc/16/78/38/176167838.db2.gz QFJRMEXZCIIDPJ-CHWSQXEVSA-N 2 2 239.338 2.516 20 0 BFADLP C[C@@H]1CC[N@@H+](CCCCF)C[C@H]1n1cc[nH+]c1 ZINC000375714711 176167840 /nfs/dbraw/zinc/16/78/40/176167840.db2.gz QFJRMEXZCIIDPJ-CHWSQXEVSA-N 2 2 239.338 2.516 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000358410682 176278029 /nfs/dbraw/zinc/27/80/29/176278029.db2.gz WJHRIAGJNREZCI-YIYPIFLZSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000358410682 176278031 /nfs/dbraw/zinc/27/80/31/176278031.db2.gz WJHRIAGJNREZCI-YIYPIFLZSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000353276640 176281329 /nfs/dbraw/zinc/28/13/29/176281329.db2.gz WNRQDQPPXHDQFZ-YUELXQCFSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000353276640 176281332 /nfs/dbraw/zinc/28/13/32/176281332.db2.gz WNRQDQPPXHDQFZ-YUELXQCFSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC3CCC2CC3)C[N@@H+]1C1CC1 ZINC000336795684 176379717 /nfs/dbraw/zinc/37/97/17/176379717.db2.gz MNGJUNGZGMZGCR-ARYSBUBPSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC3CCC2CC3)C[N@H+]1C1CC1 ZINC000336795684 176379719 /nfs/dbraw/zinc/37/97/19/176379719.db2.gz MNGJUNGZGMZGCR-ARYSBUBPSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000251053006 176760531 /nfs/dbraw/zinc/76/05/31/176760531.db2.gz AUXNOGSQMYAAKJ-VHSXEESVSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000251053006 176760533 /nfs/dbraw/zinc/76/05/33/176760533.db2.gz AUXNOGSQMYAAKJ-VHSXEESVSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000123013815 176929273 /nfs/dbraw/zinc/92/92/73/176929273.db2.gz RYTQRLGJRBZZLM-DYEKYZERSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000123013815 176929274 /nfs/dbraw/zinc/92/92/74/176929274.db2.gz RYTQRLGJRBZZLM-DYEKYZERSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000360772025 177119288 /nfs/dbraw/zinc/11/92/88/177119288.db2.gz KVKINNJRBPPHQY-AICCOOGYSA-N 2 2 238.419 2.598 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000360772025 177119289 /nfs/dbraw/zinc/11/92/89/177119289.db2.gz KVKINNJRBPPHQY-AICCOOGYSA-N 2 2 238.419 2.598 20 0 BFADLP C[C@H]1CC[N@H+](CCC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000336707567 177158293 /nfs/dbraw/zinc/15/82/93/177158293.db2.gz NOGQEGKMFGZJDS-GXTWGEPZSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@H]1CC[N@@H+](CCC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000336707567 177158295 /nfs/dbraw/zinc/15/82/95/177158295.db2.gz NOGQEGKMFGZJDS-GXTWGEPZSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000263739889 177164210 /nfs/dbraw/zinc/16/42/10/177164210.db2.gz RGGVBRZWHWTTGM-ZDUSSCGKSA-N 2 2 241.338 2.714 20 0 BFADLP C[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000263739889 177164211 /nfs/dbraw/zinc/16/42/11/177164211.db2.gz RGGVBRZWHWTTGM-ZDUSSCGKSA-N 2 2 241.338 2.714 20 0 BFADLP C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180685990 177165610 /nfs/dbraw/zinc/16/56/10/177165610.db2.gz GYMKIRGGMNKVFI-NWDGAFQWSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180685990 177165611 /nfs/dbraw/zinc/16/56/11/177165611.db2.gz GYMKIRGGMNKVFI-NWDGAFQWSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180310520 177184946 /nfs/dbraw/zinc/18/49/46/177184946.db2.gz GLAWIGCDIUYETO-QWHCGFSZSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180310520 177184948 /nfs/dbraw/zinc/18/49/48/177184948.db2.gz GLAWIGCDIUYETO-QWHCGFSZSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]CC[NH+](C)C)c2ccccc21 ZINC000136950846 177204661 /nfs/dbraw/zinc/20/46/61/177204661.db2.gz DCMCIYGFOCHFLQ-WFASDCNBSA-N 2 2 232.371 2.776 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000358410681 177235272 /nfs/dbraw/zinc/23/52/72/177235272.db2.gz WJHRIAGJNREZCI-RFGFWPKPSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000358410681 177235274 /nfs/dbraw/zinc/23/52/74/177235274.db2.gz WJHRIAGJNREZCI-RFGFWPKPSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358385024 177235337 /nfs/dbraw/zinc/23/53/37/177235337.db2.gz QKTWSVQIDBZULC-LZWOXQAQSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358385024 177235339 /nfs/dbraw/zinc/23/53/39/177235339.db2.gz QKTWSVQIDBZULC-LZWOXQAQSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000352721448 177240090 /nfs/dbraw/zinc/24/00/90/177240090.db2.gz MHKZWQAYHVLHFS-BBRMVZONSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000352721448 177240091 /nfs/dbraw/zinc/24/00/91/177240091.db2.gz MHKZWQAYHVLHFS-BBRMVZONSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235725655 177263587 /nfs/dbraw/zinc/26/35/87/177263587.db2.gz VLUDTZGVMBXZGF-LRDDRELGSA-N 2 2 240.350 2.619 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235725655 177263589 /nfs/dbraw/zinc/26/35/89/177263589.db2.gz VLUDTZGVMBXZGF-LRDDRELGSA-N 2 2 240.350 2.619 20 0 BFADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccsc2)CC[N@@H+]1C ZINC000093644970 177327562 /nfs/dbraw/zinc/32/75/62/177327562.db2.gz RFBBULSTKVYMJQ-AAEUAGOBSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@@H]([NH+](C)Cc2ccsc2)CC[N@H+]1C ZINC000093644970 177327565 /nfs/dbraw/zinc/32/75/65/177327565.db2.gz RFBBULSTKVYMJQ-AAEUAGOBSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@@H]([N@H+](C)Cc2ccsc2)CC[NH+]1C ZINC000093644970 177327567 /nfs/dbraw/zinc/32/75/67/177327567.db2.gz RFBBULSTKVYMJQ-AAEUAGOBSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccsc2)CC[NH+]1C ZINC000093644970 177327568 /nfs/dbraw/zinc/32/75/68/177327568.db2.gz RFBBULSTKVYMJQ-AAEUAGOBSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)[C@@H](C)C1 ZINC000353594953 177356797 /nfs/dbraw/zinc/35/67/97/177356797.db2.gz IORGISIFUHAIKT-VOAKCMCISA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)[C@@H](C)C1 ZINC000353594953 177356798 /nfs/dbraw/zinc/35/67/98/177356798.db2.gz IORGISIFUHAIKT-VOAKCMCISA-N 2 2 247.386 2.681 20 0 BFADLP CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCCC1 ZINC000313404080 487641460 /nfs/dbraw/zinc/64/14/60/487641460.db2.gz YAOTXHLTBKCIQA-GXTWGEPZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000494396188 226264399 /nfs/dbraw/zinc/26/43/99/226264399.db2.gz ZEPAVJSIGCJQLF-MGPQQGTHSA-N 2 2 247.386 2.614 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@@H](C)C1 ZINC000494409783 226264857 /nfs/dbraw/zinc/26/48/57/226264857.db2.gz CKMUBBDFNDARPS-RFQIPJPRSA-N 2 2 247.386 2.612 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC000328339119 487664309 /nfs/dbraw/zinc/66/43/09/487664309.db2.gz KGUNSJHJQAYWAN-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC000328339119 487664312 /nfs/dbraw/zinc/66/43/12/487664312.db2.gz KGUNSJHJQAYWAN-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)n1C ZINC000667631577 487684815 /nfs/dbraw/zinc/68/48/15/487684815.db2.gz HAMBGDPFFDGHCI-ZLDLUXBVSA-N 2 2 247.386 2.882 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)n1C ZINC000667631577 487684817 /nfs/dbraw/zinc/68/48/17/487684817.db2.gz HAMBGDPFFDGHCI-ZLDLUXBVSA-N 2 2 247.386 2.882 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000328468989 487693768 /nfs/dbraw/zinc/69/37/68/487693768.db2.gz KLYGPIYDNSZWDS-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC000328468989 487693771 /nfs/dbraw/zinc/69/37/71/487693771.db2.gz KLYGPIYDNSZWDS-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)CCC[C@@H]2C)n1C ZINC000667651752 487698807 /nfs/dbraw/zinc/69/88/07/487698807.db2.gz HEJTYTQVWUSIML-RYUDHWBXSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)CCC[C@@H]2C)n1C ZINC000667651752 487698808 /nfs/dbraw/zinc/69/88/08/487698808.db2.gz HEJTYTQVWUSIML-RYUDHWBXSA-N 2 2 235.375 2.739 20 0 BFADLP CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H]1CC1(C)C ZINC000397781001 262933665 /nfs/dbraw/zinc/93/36/65/262933665.db2.gz OKLWNTIBTZMUHH-AVGNSLFASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000226499556 487754236 /nfs/dbraw/zinc/75/42/36/487754236.db2.gz UWKGYSLHQMHVEL-MGPQQGTHSA-N 2 2 235.375 2.830 20 0 BFADLP Cc1ccc(CCC[NH2+][C@]23C[C@H]2CCC3)c[nH+]1 ZINC000668447084 487769029 /nfs/dbraw/zinc/76/90/29/487769029.db2.gz LRUFORVVCLFBOJ-HUUCEWRRSA-N 2 2 230.355 2.855 20 0 BFADLP c1cn(C2CC[NH+](CC3CCCC3)CC2)c[nH+]1 ZINC000111244123 487772256 /nfs/dbraw/zinc/77/22/56/487772256.db2.gz ZITOVGSEBDPWRC-UHFFFAOYSA-N 2 2 233.359 2.710 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675748752 487774355 /nfs/dbraw/zinc/77/43/55/487774355.db2.gz JRAUJXMXIRNHIZ-LXTVHRRPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675748752 487774359 /nfs/dbraw/zinc/77/43/59/487774359.db2.gz JRAUJXMXIRNHIZ-LXTVHRRPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000675767915 487775913 /nfs/dbraw/zinc/77/59/13/487775913.db2.gz UXOUCHPTPPPPHE-YCPHGPKFSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000675767915 487775918 /nfs/dbraw/zinc/77/59/18/487775918.db2.gz UXOUCHPTPPPPHE-YCPHGPKFSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000675884527 487786341 /nfs/dbraw/zinc/78/63/41/487786341.db2.gz VXMRVUFEBDZNGX-MBNYWOFBSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000675884527 487786346 /nfs/dbraw/zinc/78/63/46/487786346.db2.gz VXMRVUFEBDZNGX-MBNYWOFBSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C(C)(C)C)C2)n1C ZINC000667972700 487787501 /nfs/dbraw/zinc/78/75/01/487787501.db2.gz YDROZQGEUDYEER-LBPRGKRZSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)n1C ZINC000667972700 487787495 /nfs/dbraw/zinc/78/74/95/487787495.db2.gz YDROZQGEUDYEER-LBPRGKRZSA-N 2 2 235.375 2.597 20 0 BFADLP CC(C)(C)[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667972697 487787604 /nfs/dbraw/zinc/78/76/04/487787604.db2.gz YCIWHCHOMRZDGL-GFCCVEGCSA-N 2 2 247.386 2.697 20 0 BFADLP CC(C)(C)[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667972697 487787607 /nfs/dbraw/zinc/78/76/07/487787607.db2.gz YCIWHCHOMRZDGL-GFCCVEGCSA-N 2 2 247.386 2.697 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000681489043 487805249 /nfs/dbraw/zinc/80/52/49/487805249.db2.gz UYFVFUQYMJAWAT-ZBFHGGJFSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000681489043 487805255 /nfs/dbraw/zinc/80/52/55/487805255.db2.gz UYFVFUQYMJAWAT-ZBFHGGJFSA-N 2 2 246.398 2.549 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000385851614 487810360 /nfs/dbraw/zinc/81/03/60/487810360.db2.gz VEYPGNBWTLJTBV-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000385851614 487810367 /nfs/dbraw/zinc/81/03/67/487810367.db2.gz VEYPGNBWTLJTBV-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000651666788 487813783 /nfs/dbraw/zinc/81/37/83/487813783.db2.gz OGPWEGAKYDEAQB-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647167475 487825327 /nfs/dbraw/zinc/82/53/27/487825327.db2.gz HEWLZICZJVHIEO-LBPRGKRZSA-N 2 2 246.345 2.638 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647167475 487825334 /nfs/dbraw/zinc/82/53/34/487825334.db2.gz HEWLZICZJVHIEO-LBPRGKRZSA-N 2 2 246.345 2.638 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647167474 487825821 /nfs/dbraw/zinc/82/58/21/487825821.db2.gz HEWLZICZJVHIEO-GFCCVEGCSA-N 2 2 246.345 2.638 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(F)(F)CC1 ZINC000647167474 487825832 /nfs/dbraw/zinc/82/58/32/487825832.db2.gz HEWLZICZJVHIEO-GFCCVEGCSA-N 2 2 246.345 2.638 20 0 BFADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CCC1 ZINC000322864843 487826279 /nfs/dbraw/zinc/82/62/79/487826279.db2.gz UVJUOKBNMHMGRN-CQSZACIVSA-N 2 2 235.375 2.832 20 0 BFADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000668068136 487826556 /nfs/dbraw/zinc/82/65/56/487826556.db2.gz DTMRTJQXXFWZIV-OEAJRASXSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000668068136 487826559 /nfs/dbraw/zinc/82/65/59/487826559.db2.gz DTMRTJQXXFWZIV-OEAJRASXSA-N 2 2 248.414 2.782 20 0 BFADLP CC(C)C(C[NH2+]C[C@H]1CCC[N@H+]1C)C(C)C ZINC000304361542 527587960 /nfs/dbraw/zinc/58/79/60/527587960.db2.gz IBKHATWBTLTBGT-CYBMUJFWSA-N 2 2 226.408 2.598 20 0 BFADLP C[N@H+](CC[NH3+])Cc1cccc(-c2ccccc2)c1 ZINC000415107010 487837862 /nfs/dbraw/zinc/83/78/62/487837862.db2.gz KHTGUWSAFCOIOW-UHFFFAOYSA-N 2 2 240.350 2.744 20 0 BFADLP C[N@@H+](CC[NH3+])Cc1cccc(-c2ccccc2)c1 ZINC000415107010 487837863 /nfs/dbraw/zinc/83/78/63/487837863.db2.gz KHTGUWSAFCOIOW-UHFFFAOYSA-N 2 2 240.350 2.744 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCCC1(C)C ZINC000086842662 322962954 /nfs/dbraw/zinc/96/29/54/322962954.db2.gz YRNYKBFPBQSQCD-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@H+](CCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000671246004 487889721 /nfs/dbraw/zinc/88/97/21/487889721.db2.gz MVWCGBJGZVVHOR-UHFFFAOYSA-N 2 2 243.354 2.750 20 0 BFADLP C[N@@H+](CCn1cc[nH+]c1)C(C)(C)c1ccccc1 ZINC000671246004 487889725 /nfs/dbraw/zinc/88/97/25/487889725.db2.gz MVWCGBJGZVVHOR-UHFFFAOYSA-N 2 2 243.354 2.750 20 0 BFADLP F[C@@H]1C[NH2+][C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC000666948058 487890738 /nfs/dbraw/zinc/89/07/38/487890738.db2.gz SAECLCPHKIVACT-KBPBESRZSA-N 2 2 242.382 2.637 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072310 487894917 /nfs/dbraw/zinc/89/49/17/487894917.db2.gz IIKDAJGVBDJSBX-KGLIPLIRSA-N 2 2 235.375 2.955 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072310 487894920 /nfs/dbraw/zinc/89/49/20/487894920.db2.gz IIKDAJGVBDJSBX-KGLIPLIRSA-N 2 2 235.375 2.955 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000666966055 487919943 /nfs/dbraw/zinc/91/99/43/487919943.db2.gz DLJZWWMNWOURKK-OAHLLOKOSA-N 2 2 244.382 2.794 20 0 BFADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cscc1Cl ZINC000666981158 487921623 /nfs/dbraw/zinc/92/16/23/487921623.db2.gz OEZNVLSKFVHJGQ-JTQLQIEISA-N 2 2 246.807 2.865 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000235223861 487936644 /nfs/dbraw/zinc/93/66/44/487936644.db2.gz MDZOGQGEDXGOKD-RISCZKNCSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000235223642 487936687 /nfs/dbraw/zinc/93/66/87/487936687.db2.gz AVAOEGNVFDLJBL-RISCZKNCSA-N 2 2 236.334 2.618 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC000676900797 487943872 /nfs/dbraw/zinc/94/38/72/487943872.db2.gz NRTQDTOJZGHNKF-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC000676900797 487943876 /nfs/dbraw/zinc/94/38/76/487943876.db2.gz NRTQDTOJZGHNKF-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccsc1 ZINC000394442700 323001302 /nfs/dbraw/zinc/00/13/02/323001302.db2.gz SQZFEICNGKLVDL-CYBMUJFWSA-N 2 2 238.400 2.885 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2cccs2)n1C ZINC000566498652 323003349 /nfs/dbraw/zinc/00/33/49/323003349.db2.gz FISWJSZRZHEKSJ-UHFFFAOYSA-N 2 2 249.383 2.815 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000561542794 323003776 /nfs/dbraw/zinc/00/37/76/323003776.db2.gz MNDSGLVZRCRECP-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCCCCC1 ZINC000561542794 323003777 /nfs/dbraw/zinc/00/37/77/323003777.db2.gz MNDSGLVZRCRECP-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000562564757 323024691 /nfs/dbraw/zinc/02/46/91/323024691.db2.gz VJRBLMVYBHSQKR-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000562564757 323024692 /nfs/dbraw/zinc/02/46/92/323024692.db2.gz VJRBLMVYBHSQKR-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC1(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000569991947 323046514 /nfs/dbraw/zinc/04/65/14/323046514.db2.gz QLYSCGMGOBIHHL-UHFFFAOYSA-N 2 2 243.354 2.885 20 0 BFADLP C[C@@H]1C[N@H+](CCCc2c[nH+]cn2C)CC(C)(C)C1 ZINC000569984790 323046848 /nfs/dbraw/zinc/04/68/48/323046848.db2.gz CDHUGIJSVNOWKH-ZDUSSCGKSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC(C)(C)C1 ZINC000569984790 323046849 /nfs/dbraw/zinc/04/68/49/323046849.db2.gz CDHUGIJSVNOWKH-ZDUSSCGKSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000570108076 323050232 /nfs/dbraw/zinc/05/02/32/323050232.db2.gz RPNIEYINVIOGHC-KFWWJZLASA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CC3CCC2CC3)n1C ZINC000570584046 323063529 /nfs/dbraw/zinc/06/35/29/323063529.db2.gz RIGKYLDKEBYXAG-JXQTWKCFSA-N 2 2 247.386 2.644 20 0 BFADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000531691637 323111599 /nfs/dbraw/zinc/11/15/99/323111599.db2.gz VCMJXTMQWKJVHF-HIFRSBDPSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000531691637 323111600 /nfs/dbraw/zinc/11/16/00/323111600.db2.gz VCMJXTMQWKJVHF-HIFRSBDPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC000531728918 323111694 /nfs/dbraw/zinc/11/16/94/323111694.db2.gz XJXQCFHAWHBKIV-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC000531728918 323111695 /nfs/dbraw/zinc/11/16/95/323111695.db2.gz XJXQCFHAWHBKIV-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCCC[C@H]1C[NH2+]CC1([NH+](C)C)CCC1 ZINC000394843416 323143896 /nfs/dbraw/zinc/14/38/96/323143896.db2.gz WQLBHZBHEHVTAM-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000571591526 323149055 /nfs/dbraw/zinc/14/90/55/323149055.db2.gz PHRFNPGZGGSVOY-ZDUSSCGKSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000571591526 323149056 /nfs/dbraw/zinc/14/90/56/323149056.db2.gz PHRFNPGZGGSVOY-ZDUSSCGKSA-N 2 2 236.403 2.641 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCCC12CCC2 ZINC000394862279 323151423 /nfs/dbraw/zinc/15/14/23/323151423.db2.gz MSWUTTPMYFFMCQ-CQSZACIVSA-N 2 2 236.403 2.785 20 0 BFADLP C[C@@H](Cc1ccsc1)[NH2+]CCCn1cc[nH+]c1 ZINC000049328140 323159704 /nfs/dbraw/zinc/15/97/04/323159704.db2.gz RYZLPRMQVINNJN-LBPRGKRZSA-N 2 2 249.383 2.556 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000531967967 323160036 /nfs/dbraw/zinc/16/00/36/323160036.db2.gz PWUGXQJDVSJLAV-KBUPBQIOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000531967967 323160037 /nfs/dbraw/zinc/16/00/37/323160037.db2.gz PWUGXQJDVSJLAV-KBUPBQIOSA-N 2 2 238.419 2.743 20 0 BFADLP c1ccc(NC2CC[NH+](CC3CCC3)CC2)[nH+]c1 ZINC000535577010 323186224 /nfs/dbraw/zinc/18/62/24/323186224.db2.gz XNYRHNTVRLKRIY-UHFFFAOYSA-N 2 2 245.370 2.758 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C)cc1 ZINC000535747649 323190220 /nfs/dbraw/zinc/19/02/20/323190220.db2.gz AQLFOBDXQHWFHI-UHFFFAOYSA-N 2 2 243.354 2.714 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C)cc1 ZINC000535747649 323190221 /nfs/dbraw/zinc/19/02/21/323190221.db2.gz AQLFOBDXQHWFHI-UHFFFAOYSA-N 2 2 243.354 2.714 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000116382395 323204941 /nfs/dbraw/zinc/20/49/41/323204941.db2.gz GYBZFPODZFBUMS-HNNXBMFYSA-N 2 2 248.414 2.938 20 0 BFADLP Cc1cccc([C@H](C)C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000532232079 323210336 /nfs/dbraw/zinc/21/03/36/323210336.db2.gz QPBRGARLOHUKFV-FMKPAKJESA-N 2 2 246.398 2.638 20 0 BFADLP Cc1cccc([C@H](C)C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000532232079 323210338 /nfs/dbraw/zinc/21/03/38/323210338.db2.gz QPBRGARLOHUKFV-FMKPAKJESA-N 2 2 246.398 2.638 20 0 BFADLP Cc1cccc([C@H](C)C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000532232082 323210397 /nfs/dbraw/zinc/21/03/97/323210397.db2.gz QPBRGARLOHUKFV-YCPHGPKFSA-N 2 2 246.398 2.638 20 0 BFADLP Cc1cccc([C@H](C)C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000532232082 323210400 /nfs/dbraw/zinc/21/04/00/323210400.db2.gz QPBRGARLOHUKFV-YCPHGPKFSA-N 2 2 246.398 2.638 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000530219379 323217926 /nfs/dbraw/zinc/21/79/26/323217926.db2.gz LLKYGHIWYIQTKU-CMPLNLGQSA-N 2 2 236.384 2.683 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530222872 323218517 /nfs/dbraw/zinc/21/85/17/323218517.db2.gz SADNEAOGVXGTKR-JSGCOSHPSA-N 2 2 230.355 2.622 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000396621713 323393696 /nfs/dbraw/zinc/39/36/96/323393696.db2.gz CQYRAZWZGMTHEH-VBNZEHGJSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000396621708 323394232 /nfs/dbraw/zinc/39/42/32/323394232.db2.gz CQYRAZWZGMTHEH-MAZHCROVSA-N 2 2 244.382 2.794 20 0 BFADLP CCn1cc[nH+]c1CNc1cc(C2CC2)cc[nH+]1 ZINC000571812392 323484625 /nfs/dbraw/zinc/48/46/25/323484625.db2.gz KAGQVXWDXVYVPO-UHFFFAOYSA-N 2 2 242.326 2.788 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000537361160 324066712 /nfs/dbraw/zinc/06/67/12/324066712.db2.gz PEPMOKGMSOTKFP-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000537361160 324066714 /nfs/dbraw/zinc/06/67/14/324066714.db2.gz PEPMOKGMSOTKFP-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000152570539 324187525 /nfs/dbraw/zinc/18/75/25/324187525.db2.gz KMFSUPJUOIHREJ-UHFFFAOYSA-N 2 2 229.327 2.713 20 0 BFADLP CC(C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000152570539 324187530 /nfs/dbraw/zinc/18/75/30/324187530.db2.gz KMFSUPJUOIHREJ-UHFFFAOYSA-N 2 2 229.327 2.713 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1C ZINC000530178854 324511027 /nfs/dbraw/zinc/51/10/27/324511027.db2.gz RRYYUHTVKASWQX-OAHLLOKOSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530223486 324543021 /nfs/dbraw/zinc/54/30/21/324543021.db2.gz SPFOJCAHHRREHI-ZFWWWQNUSA-N 2 2 244.382 2.930 20 0 BFADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)s1 ZINC000230195634 325010658 /nfs/dbraw/zinc/01/06/58/325010658.db2.gz SRAWWSHYSHHGFF-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)s1 ZINC000230195634 325010659 /nfs/dbraw/zinc/01/06/59/325010659.db2.gz SRAWWSHYSHHGFF-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000130206295 325024004 /nfs/dbraw/zinc/02/40/04/325024004.db2.gz QBYWJLZFTVQBGO-KBPBESRZSA-N 2 2 235.375 2.688 20 0 BFADLP CCCC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000130983706 325106183 /nfs/dbraw/zinc/10/61/83/325106183.db2.gz STNWNXAANBJWMJ-NWDGAFQWSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000130983706 325106188 /nfs/dbraw/zinc/10/61/88/325106188.db2.gz STNWNXAANBJWMJ-NWDGAFQWSA-N 2 2 212.381 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CCCC1)[N@H+](C)C1CC1 ZINC000131118694 325118293 /nfs/dbraw/zinc/11/82/93/325118293.db2.gz AXIMKVRHNPZEBE-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CCCC1)[N@@H+](C)C1CC1 ZINC000131118694 325118297 /nfs/dbraw/zinc/11/82/97/325118297.db2.gz AXIMKVRHNPZEBE-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131704479 325178735 /nfs/dbraw/zinc/17/87/35/325178735.db2.gz HAZRIIFTHCUDQT-AWEZNQCLSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131704479 325178737 /nfs/dbraw/zinc/17/87/37/325178737.db2.gz HAZRIIFTHCUDQT-AWEZNQCLSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@H](CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000545272376 325204163 /nfs/dbraw/zinc/20/41/63/325204163.db2.gz ZCQRCDKGZWOXGG-IIAWOOMASA-N 2 2 246.398 2.720 20 0 BFADLP C[C@H](CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000545272376 325204166 /nfs/dbraw/zinc/20/41/66/325204166.db2.gz ZCQRCDKGZWOXGG-IIAWOOMASA-N 2 2 246.398 2.720 20 0 BFADLP C[C@H](CC[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000545272377 325204522 /nfs/dbraw/zinc/20/45/22/325204522.db2.gz ZCQRCDKGZWOXGG-IJEWVQPXSA-N 2 2 246.398 2.720 20 0 BFADLP C[C@H](CC[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000545272377 325204525 /nfs/dbraw/zinc/20/45/25/325204525.db2.gz ZCQRCDKGZWOXGG-IJEWVQPXSA-N 2 2 246.398 2.720 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]C2CCCCCC2)CC1 ZINC000545866232 325240652 /nfs/dbraw/zinc/24/06/52/325240652.db2.gz RJGIIZPXAVUIPR-UHFFFAOYSA-N 2 2 236.403 2.951 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]C2CCCCCC2)CC1 ZINC000545866232 325240655 /nfs/dbraw/zinc/24/06/55/325240655.db2.gz RJGIIZPXAVUIPR-UHFFFAOYSA-N 2 2 236.403 2.951 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000545920932 325247428 /nfs/dbraw/zinc/24/74/28/325247428.db2.gz PIIRTVAPZQFZMF-APIJFGDWSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000545920932 325247431 /nfs/dbraw/zinc/24/74/31/325247431.db2.gz PIIRTVAPZQFZMF-APIJFGDWSA-N 2 2 238.419 2.743 20 0 BFADLP CCC[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000547833251 325406858 /nfs/dbraw/zinc/40/68/58/325406858.db2.gz CJYVPJBOMIEGBE-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000552034348 325589775 /nfs/dbraw/zinc/58/97/75/325589775.db2.gz QCVCINJIBQXAIY-KGLIPLIRSA-N 2 2 235.375 2.688 20 0 BFADLP Cc1ccc(CCC[NH2+]C2(CF)CCC2)c[nH+]1 ZINC000567906119 326280983 /nfs/dbraw/zinc/28/09/83/326280983.db2.gz HNFFWDOOSHRERN-UHFFFAOYSA-N 2 2 236.334 2.804 20 0 BFADLP CC[C@H](C)C[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000568275736 326339675 /nfs/dbraw/zinc/33/96/75/326339675.db2.gz WTTYOKFMERWSGR-JSGCOSHPSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H](C)C[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000568275738 326339747 /nfs/dbraw/zinc/33/97/47/326339747.db2.gz WTTYOKFMERWSGR-TZMCWYRMSA-N 2 2 226.408 2.743 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000569309669 326399542 /nfs/dbraw/zinc/39/95/42/326399542.db2.gz QKJDGAHMZGGYIS-MBNYWOFBSA-N 2 2 238.419 2.883 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000569309669 326399543 /nfs/dbraw/zinc/39/95/43/326399543.db2.gz QKJDGAHMZGGYIS-MBNYWOFBSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)s1 ZINC000235523952 487976758 /nfs/dbraw/zinc/97/67/58/487976758.db2.gz JXUGWICOLAYXHF-RYUDHWBXSA-N 2 2 238.400 2.849 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[NH+](C)C ZINC000302715774 487977716 /nfs/dbraw/zinc/97/77/16/487977716.db2.gz ZHXHHVRMPBTUSS-APIJFGDWSA-N 2 2 238.419 2.741 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667471545 488017420 /nfs/dbraw/zinc/01/74/20/488017420.db2.gz BNAXIMFHWCEAMV-GFCCVEGCSA-N 2 2 233.359 2.594 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667471545 488017424 /nfs/dbraw/zinc/01/74/24/488017424.db2.gz BNAXIMFHWCEAMV-GFCCVEGCSA-N 2 2 233.359 2.594 20 0 BFADLP CC[N@H+](Cc1cccs1)Cc1c[nH+]c(C)n1C ZINC000667485144 488023635 /nfs/dbraw/zinc/02/36/35/488023635.db2.gz IIVROYJDGLHIKO-UHFFFAOYSA-N 2 2 249.383 2.812 20 0 BFADLP CC[N@@H+](Cc1cccs1)Cc1c[nH+]c(C)n1C ZINC000667485144 488023641 /nfs/dbraw/zinc/02/36/41/488023641.db2.gz IIVROYJDGLHIKO-UHFFFAOYSA-N 2 2 249.383 2.812 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000682731801 488027350 /nfs/dbraw/zinc/02/73/50/488027350.db2.gz IKXDWTDEXLPFGD-LSDHHAIUSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000682731801 488027355 /nfs/dbraw/zinc/02/73/55/488027355.db2.gz IKXDWTDEXLPFGD-LSDHHAIUSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000682731799 488027737 /nfs/dbraw/zinc/02/77/37/488027737.db2.gz IKXDWTDEXLPFGD-GJZGRUSLSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000682731799 488027739 /nfs/dbraw/zinc/02/77/39/488027739.db2.gz IKXDWTDEXLPFGD-GJZGRUSLSA-N 2 2 248.414 2.783 20 0 BFADLP CCC(CC)C[N@H+](CC)Cc1c[nH+]c(C)n1C ZINC000667515853 488035057 /nfs/dbraw/zinc/03/50/57/488035057.db2.gz PHWFXKKZWRXRSC-UHFFFAOYSA-N 2 2 237.391 2.987 20 0 BFADLP CCC(CC)C[N@@H+](CC)Cc1c[nH+]c(C)n1C ZINC000667515853 488035062 /nfs/dbraw/zinc/03/50/62/488035062.db2.gz PHWFXKKZWRXRSC-UHFFFAOYSA-N 2 2 237.391 2.987 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]2C2CCCC2)n1C ZINC000667544927 488041424 /nfs/dbraw/zinc/04/14/24/488041424.db2.gz PUCRARCOQLXTOU-OAHLLOKOSA-N 2 2 247.386 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C2CCCC2)n1C ZINC000667544927 488041426 /nfs/dbraw/zinc/04/14/26/488041426.db2.gz PUCRARCOQLXTOU-OAHLLOKOSA-N 2 2 247.386 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]2C(C)(C)C)n1C ZINC000667590051 488053427 /nfs/dbraw/zinc/05/34/27/488053427.db2.gz JYFNYVJKNPEYRX-CYBMUJFWSA-N 2 2 235.375 2.739 20 0 BFADLP CC(C)C[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667621149 488061959 /nfs/dbraw/zinc/06/19/59/488061959.db2.gz ADUOTIWYGGHJPX-CYBMUJFWSA-N 2 2 247.386 2.697 20 0 BFADLP CC(C)C[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667621149 488061961 /nfs/dbraw/zinc/06/19/61/488061961.db2.gz ADUOTIWYGGHJPX-CYBMUJFWSA-N 2 2 247.386 2.697 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CC)C1 ZINC000388921659 488062906 /nfs/dbraw/zinc/06/29/06/488062906.db2.gz RUMCJZKNIGSHKL-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CC)C1 ZINC000388921659 488062911 /nfs/dbraw/zinc/06/29/11/488062911.db2.gz RUMCJZKNIGSHKL-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)n1C ZINC000667631574 488063870 /nfs/dbraw/zinc/06/38/70/488063870.db2.gz HAMBGDPFFDGHCI-KYOSRNDESA-N 2 2 247.386 2.882 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)n1C ZINC000667631574 488063877 /nfs/dbraw/zinc/06/38/77/488063877.db2.gz HAMBGDPFFDGHCI-KYOSRNDESA-N 2 2 247.386 2.882 20 0 BFADLP C[C@H]1CCC[C@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667651689 488074509 /nfs/dbraw/zinc/07/45/09/488074509.db2.gz DURSKPXDDAYMHB-STQMWFEESA-N 2 2 247.386 2.840 20 0 BFADLP C[C@H]1CCC[C@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667651689 488074510 /nfs/dbraw/zinc/07/45/10/488074510.db2.gz DURSKPXDDAYMHB-STQMWFEESA-N 2 2 247.386 2.840 20 0 BFADLP CC[C@H]1CCCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667653944 488075311 /nfs/dbraw/zinc/07/53/11/488075311.db2.gz PPXDTLATSLVYGO-ZDUSSCGKSA-N 2 2 235.375 2.883 20 0 BFADLP CC[C@H]1CCCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667653944 488075313 /nfs/dbraw/zinc/07/53/13/488075313.db2.gz PPXDTLATSLVYGO-ZDUSSCGKSA-N 2 2 235.375 2.883 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C[C@@H](C)C1 ZINC000667694837 488090747 /nfs/dbraw/zinc/09/07/47/488090747.db2.gz AGRAVXBSQOMCBE-OLZOCXBDSA-N 2 2 247.386 2.697 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000235205230 488133632 /nfs/dbraw/zinc/13/36/32/488133632.db2.gz HJBCVYBRBFWRBO-UKRRQHHQSA-N 2 2 232.371 2.788 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000094528208 487539584 /nfs/dbraw/zinc/53/95/84/487539584.db2.gz YDHVDRBTXQHLEJ-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528208 487539592 /nfs/dbraw/zinc/53/95/92/487539592.db2.gz YDHVDRBTXQHLEJ-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+](CCC3CCC3)C2)c[nH+]1 ZINC000659882740 487496685 /nfs/dbraw/zinc/49/66/85/487496685.db2.gz MVFSNDNUQGYFPY-CQSZACIVSA-N 2 2 233.359 2.710 20 0 BFADLP c1cn([C@@H]2CCC[N@H+](CCC3CCC3)C2)c[nH+]1 ZINC000659882740 487496692 /nfs/dbraw/zinc/49/66/92/487496692.db2.gz MVFSNDNUQGYFPY-CQSZACIVSA-N 2 2 233.359 2.710 20 0 BFADLP Cc1[nH+]c2c(n1Cc1ccc[nH+]c1C)CCCC2 ZINC000394079180 487506553 /nfs/dbraw/zinc/50/65/53/487506553.db2.gz NNCKMPIIDSMBBR-UHFFFAOYSA-N 2 2 241.338 2.822 20 0 BFADLP Clc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000232104462 487510648 /nfs/dbraw/zinc/51/06/48/487510648.db2.gz AQXSBVZRTLGIAO-ZDUSSCGKSA-N 2 2 238.762 2.572 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000116386643 487606693 /nfs/dbraw/zinc/60/66/93/487606693.db2.gz RDUULZLCIIZRAD-HZPDHXFCSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000116386643 487606698 /nfs/dbraw/zinc/60/66/98/487606698.db2.gz RDUULZLCIIZRAD-HZPDHXFCSA-N 2 2 246.398 2.692 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947854 487908784 /nfs/dbraw/zinc/90/87/84/487908784.db2.gz KMXFIFRXZOLYAA-RFGFWPKPSA-N 2 2 244.398 2.737 20 0 BFADLP CCC1(C)CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666946496 487908999 /nfs/dbraw/zinc/90/89/99/487908999.db2.gz FNLLTGUMJNOYIF-AHPWVWPOSA-N 2 2 242.382 2.635 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947852 487909005 /nfs/dbraw/zinc/90/90/05/487909005.db2.gz KMXFIFRXZOLYAA-MQYQWHSLSA-N 2 2 244.398 2.737 20 0 BFADLP Cc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000258930057 488142949 /nfs/dbraw/zinc/14/29/49/488142949.db2.gz PGGNLNHSMOOGGZ-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP Cc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1C ZINC000258974099 488143841 /nfs/dbraw/zinc/14/38/41/488143841.db2.gz UJINXHCHILTJPN-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP Cc1[nH+]cc(C[NH+]2CC(C)(C)CC(C)(C)C2)n1C ZINC000667996437 488179560 /nfs/dbraw/zinc/17/95/60/488179560.db2.gz NNJFYBSRRQRBII-UHFFFAOYSA-N 2 2 249.402 2.987 20 0 BFADLP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668047483 488195198 /nfs/dbraw/zinc/19/51/98/488195198.db2.gz CKLAOBQZCTZPRY-AGIUHOORSA-N 2 2 247.386 2.696 20 0 BFADLP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668047483 488195199 /nfs/dbraw/zinc/19/51/99/488195199.db2.gz CKLAOBQZCTZPRY-AGIUHOORSA-N 2 2 247.386 2.696 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000668154889 488211009 /nfs/dbraw/zinc/21/10/09/488211009.db2.gz ZJYZWCNSWAZVCB-CWRNSKLLSA-N 2 2 246.398 2.862 20 0 BFADLP Cc1[nH+]cc(C[NH+]2CCC(C)(C3CC3)CC2)n1C ZINC000668178073 488214558 /nfs/dbraw/zinc/21/45/58/488214558.db2.gz MOYHVAUNQGNOIX-UHFFFAOYSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[NH+](C2CCC2)C2CCC2)n1C ZINC000668189034 488217603 /nfs/dbraw/zinc/21/76/03/488217603.db2.gz XDHUKMOBCNHGDH-UHFFFAOYSA-N 2 2 233.359 2.636 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000678234627 488222791 /nfs/dbraw/zinc/22/27/91/488222791.db2.gz HKDBMRIKLOEUIX-ZDUSSCGKSA-N 2 2 245.326 2.622 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)o1 ZINC000678234627 488222794 /nfs/dbraw/zinc/22/27/94/488222794.db2.gz HKDBMRIKLOEUIX-ZDUSSCGKSA-N 2 2 245.326 2.622 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C(C)C)[C@H]2C(C)C)n1C ZINC000668220475 488229983 /nfs/dbraw/zinc/22/99/83/488229983.db2.gz RONAYFBNTHIQKD-HUUCEWRRSA-N 2 2 249.402 2.841 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C(C)C)[C@H]2C(C)C)n1C ZINC000668220475 488229985 /nfs/dbraw/zinc/22/99/85/488229985.db2.gz RONAYFBNTHIQKD-HUUCEWRRSA-N 2 2 249.402 2.841 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)Cc1ccsc1 ZINC000035719400 488236794 /nfs/dbraw/zinc/23/67/94/488236794.db2.gz YFULVZQVHUZIOZ-GFCCVEGCSA-N 2 2 226.389 2.553 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)Cc1ccsc1 ZINC000035719400 488236797 /nfs/dbraw/zinc/23/67/97/488236797.db2.gz YFULVZQVHUZIOZ-GFCCVEGCSA-N 2 2 226.389 2.553 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678823978 488287718 /nfs/dbraw/zinc/28/77/18/488287718.db2.gz STYZAAWZCUOGPB-KBPBESRZSA-N 2 2 235.375 2.956 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678823978 488287721 /nfs/dbraw/zinc/28/77/21/488287721.db2.gz STYZAAWZCUOGPB-KBPBESRZSA-N 2 2 235.375 2.956 20 0 BFADLP c1cn(CCC[NH+]2C3CCCC2CCC3)c[nH+]1 ZINC000678884592 488293245 /nfs/dbraw/zinc/29/32/45/488293245.db2.gz KUTZENKBCJJHQJ-UHFFFAOYSA-N 2 2 233.359 2.680 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585075 490222712 /nfs/dbraw/zinc/22/27/12/490222712.db2.gz FIBNCCXLBWCUMY-KBPBESRZSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585075 490222705 /nfs/dbraw/zinc/22/27/05/490222705.db2.gz FIBNCCXLBWCUMY-KBPBESRZSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](CC[N@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668538802 490357148 /nfs/dbraw/zinc/35/71/48/490357148.db2.gz CTOUMZCFYVGUGW-CQSZACIVSA-N 2 2 246.398 2.674 20 0 BFADLP C[C@H](CC[N@@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668538802 490357151 /nfs/dbraw/zinc/35/71/51/490357151.db2.gz CTOUMZCFYVGUGW-CQSZACIVSA-N 2 2 246.398 2.674 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226901236 491052668 /nfs/dbraw/zinc/05/26/68/491052668.db2.gz LQTCKDUPKSBFCB-HZPDHXFCSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226901236 491052669 /nfs/dbraw/zinc/05/26/69/491052669.db2.gz LQTCKDUPKSBFCB-HZPDHXFCSA-N 2 2 244.382 2.822 20 0 BFADLP CC1(C)C[C@H]([NH2+]C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000090167750 491123558 /nfs/dbraw/zinc/12/35/58/491123558.db2.gz CWRRFSVDGMNRKK-HNNXBMFYSA-N 2 2 244.382 2.792 20 0 BFADLP CC1(C)C[C@H]([NH2+]C2CC2)C[N@H+]1Cc1ccccc1 ZINC000090167750 491123559 /nfs/dbraw/zinc/12/35/59/491123559.db2.gz CWRRFSVDGMNRKK-HNNXBMFYSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000488418191 533726153 /nfs/dbraw/zinc/72/61/53/533726153.db2.gz MZXSFTFPTYREFP-CHWSQXEVSA-N 2 2 233.359 2.519 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)[C@H]1C ZINC000494995422 533947598 /nfs/dbraw/zinc/94/75/98/533947598.db2.gz JRDILUKBYMQVSG-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)[C@H]1C ZINC000494995422 533947604 /nfs/dbraw/zinc/94/76/04/533947604.db2.gz JRDILUKBYMQVSG-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)[C@H]1C ZINC000495078141 533947236 /nfs/dbraw/zinc/94/72/36/533947236.db2.gz HYTNFPKGGARKFC-ZSAUSMIDSA-N 2 2 238.419 2.883 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000082835871 535541667 /nfs/dbraw/zinc/54/16/67/535541667.db2.gz VRIJXUDTNFAJIH-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]1CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000348070841 536099854 /nfs/dbraw/zinc/09/98/54/536099854.db2.gz IYCJHGCDQGPJMF-QWHCGFSZSA-N 2 2 233.359 2.662 20 0 BFADLP CC[C@@H](C)C[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000093064616 517753035 /nfs/dbraw/zinc/75/30/35/517753035.db2.gz SARGKKFQAXJKMG-ZBFHGGJFSA-N 2 2 248.414 2.795 20 0 BFADLP CC(C)C(C[NH2+]C[C@H]1CCC[N@@H+]1C)C(C)C ZINC000304361542 527587955 /nfs/dbraw/zinc/58/79/55/527587955.db2.gz IBKHATWBTLTBGT-CYBMUJFWSA-N 2 2 226.408 2.598 20 0 BFADLP CCC[NH+](C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCC ZINC000495412640 527863194 /nfs/dbraw/zinc/86/31/94/527863194.db2.gz BVSZBENKDXQPDA-ZIAGYGMSSA-N 2 2 226.408 2.981 20 0 BFADLP CCC[NH+](C)[C@@H]1CCCC[C@H]1[N@H+](C)CCC ZINC000495412640 527863199 /nfs/dbraw/zinc/86/31/99/527863199.db2.gz BVSZBENKDXQPDA-ZIAGYGMSSA-N 2 2 226.408 2.981 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H](C)[C@H]2CC2(C)C)CC1 ZINC000487560559 528119770 /nfs/dbraw/zinc/11/97/70/528119770.db2.gz OUWZURQMNMBRHG-ZIAGYGMSSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)[C@H]2CC2(C)C)CC1 ZINC000487560559 528119775 /nfs/dbraw/zinc/11/97/75/528119775.db2.gz OUWZURQMNMBRHG-ZIAGYGMSSA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000479417154 528171857 /nfs/dbraw/zinc/17/18/57/528171857.db2.gz SKAJZNMLOVRHJA-XJKSGUPXSA-N 2 2 246.398 2.850 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000479417154 528171858 /nfs/dbraw/zinc/17/18/58/528171858.db2.gz SKAJZNMLOVRHJA-XJKSGUPXSA-N 2 2 246.398 2.850 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000300410463 528654641 /nfs/dbraw/zinc/65/46/41/528654641.db2.gz HTYINFHPMDWUPG-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000300410463 528654648 /nfs/dbraw/zinc/65/46/48/528654648.db2.gz HTYINFHPMDWUPG-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+]CC[NH+]1CCCC1 ZINC000166445159 528901805 /nfs/dbraw/zinc/90/18/05/528901805.db2.gz SCRZMZPORUAXBJ-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+]CC[NH+]1CCCC1 ZINC000166445405 528905217 /nfs/dbraw/zinc/90/52/17/528905217.db2.gz SCRZMZPORUAXBJ-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000495079689 529274088 /nfs/dbraw/zinc/27/40/88/529274088.db2.gz OXEBXPQHQPRWAX-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000495079689 529274089 /nfs/dbraw/zinc/27/40/89/529274089.db2.gz OXEBXPQHQPRWAX-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)([NH2+]CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000261585109 535248681 /nfs/dbraw/zinc/24/86/81/535248681.db2.gz QEDNWNXOCCEXHG-UHFFFAOYSA-N 2 2 247.169 2.777 20 0 BFADLP CCC[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000251401629 535653441 /nfs/dbraw/zinc/65/34/41/535653441.db2.gz ZUHQBFSYPDGDGT-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000251401629 535653446 /nfs/dbraw/zinc/65/34/46/535653446.db2.gz ZUHQBFSYPDGDGT-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000253179358 535822018 /nfs/dbraw/zinc/82/20/18/535822018.db2.gz CUGBGPPSJBUVMD-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000253179358 535822019 /nfs/dbraw/zinc/82/20/19/535822019.db2.gz CUGBGPPSJBUVMD-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]C[C@H]([NH3+])CC(C)C)c1nccs1 ZINC000070733376 535908653 /nfs/dbraw/zinc/90/86/53/535908653.db2.gz GUWKSGVBKINNKH-MNOVXSKESA-N 2 2 241.404 2.557 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261540991 536060165 /nfs/dbraw/zinc/06/01/65/536060165.db2.gz ICXFGQCZNGVISC-LERXQTSPSA-N 2 2 236.334 2.556 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261540991 536060168 /nfs/dbraw/zinc/06/01/68/536060168.db2.gz ICXFGQCZNGVISC-LERXQTSPSA-N 2 2 236.334 2.556 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCC1(C)C ZINC000342586055 536351655 /nfs/dbraw/zinc/35/16/55/536351655.db2.gz ZCZUKXNQZKSFNA-QWHCGFSZSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@H]1CCC1(C)C ZINC000342586055 536351656 /nfs/dbraw/zinc/35/16/56/536351656.db2.gz ZCZUKXNQZKSFNA-QWHCGFSZSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc([C@H](C[NH2+][C@H]2CC[C@@H]2C)[NH+](C)C)cc1 ZINC000783230448 582950878 /nfs/dbraw/zinc/95/08/78/582950878.db2.gz LGRSNQSTPGRFCJ-BPUTZDHNSA-N 2 2 246.398 2.986 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCCC1CC1 ZINC000878614515 583386540 /nfs/dbraw/zinc/38/65/40/583386540.db2.gz BYZAOOMZEZEBPG-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCCC1CC1 ZINC000878614515 583386541 /nfs/dbraw/zinc/38/65/41/583386541.db2.gz BYZAOOMZEZEBPG-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCCC1CC1 ZINC000878614516 583386622 /nfs/dbraw/zinc/38/66/22/583386622.db2.gz BYZAOOMZEZEBPG-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCCC1CC1 ZINC000878614516 583386625 /nfs/dbraw/zinc/38/66/25/583386625.db2.gz BYZAOOMZEZEBPG-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP Clc1ccc(CCC[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000894243226 583388478 /nfs/dbraw/zinc/38/84/78/583388478.db2.gz ISDKPONNEJWDJN-UHFFFAOYSA-N 2 2 249.745 2.786 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000894285495 583410657 /nfs/dbraw/zinc/41/06/57/583410657.db2.gz XFBUOVQROXUIAW-LBPRGKRZSA-N 2 2 229.327 2.611 20 0 BFADLP Cc1cccc([C@H](C)C[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894302945 583416126 /nfs/dbraw/zinc/41/61/26/583416126.db2.gz FPUSWMZLXJVPME-GFCCVEGCSA-N 2 2 229.327 2.611 20 0 BFADLP Cc1ccoc1C[N@@H+](C)Cc1c(C)cc[nH+]c1N ZINC000894848237 583531665 /nfs/dbraw/zinc/53/16/65/583531665.db2.gz NQPBBPAEKSDVBX-UHFFFAOYSA-N 2 2 245.326 2.506 20 0 BFADLP Cc1ccoc1C[N@H+](C)Cc1c(C)cc[nH+]c1N ZINC000894848237 583531668 /nfs/dbraw/zinc/53/16/68/583531668.db2.gz NQPBBPAEKSDVBX-UHFFFAOYSA-N 2 2 245.326 2.506 20 0 BFADLP Fc1cccc2c1CCC[C@@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000894868257 583538195 /nfs/dbraw/zinc/53/81/95/583538195.db2.gz YNEOJBMPEYAOGQ-AWEZNQCLSA-N 2 2 245.301 2.716 20 0 BFADLP Cc1cc[nH+]c(NCc2c[nH+]c[nH]2)c1C1CC1 ZINC000895250813 583633248 /nfs/dbraw/zinc/63/32/48/583633248.db2.gz CRRXIFUVDCRJAD-UHFFFAOYSA-N 2 2 228.299 2.603 20 0 BFADLP Cc1cc[nH+]c(NCc2c[nH]c[nH+]2)c1C1CC1 ZINC000895250813 583633249 /nfs/dbraw/zinc/63/32/49/583633249.db2.gz CRRXIFUVDCRJAD-UHFFFAOYSA-N 2 2 228.299 2.603 20 0 BFADLP CC1(C)CCC[C@@H]1CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000895387485 583663046 /nfs/dbraw/zinc/66/30/46/583663046.db2.gz CMNDGIDYSOFZFY-LLVKDONJSA-N 2 2 221.348 2.716 20 0 BFADLP Cc1ccc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)o1 ZINC000895672445 583706985 /nfs/dbraw/zinc/70/69/85/583706985.db2.gz YQPJGALHVYLIEV-UHFFFAOYSA-N 2 2 248.370 2.648 20 0 BFADLP Cc1ccc2cc[nH+]c(NC[C@@H]3CC[N@@H+]3C)c2c1 ZINC000895769216 583724409 /nfs/dbraw/zinc/72/44/09/583724409.db2.gz OJYPGNFYKUKPTJ-ZDUSSCGKSA-N 2 2 241.338 2.659 20 0 BFADLP C[NH+]1CCC(CNc2ccc(C3CC3)c[nH+]2)CC1 ZINC000897716023 584043514 /nfs/dbraw/zinc/04/35/14/584043514.db2.gz SYQHBEBAKUOABY-UHFFFAOYSA-N 2 2 245.370 2.713 20 0 BFADLP Cc1ccoc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897981780 584072618 /nfs/dbraw/zinc/07/26/18/584072618.db2.gz QGKICQHCZUOFCW-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP c1[nH]c(C[NH2+]C[C@H]2CCC=CCCC2)c[nH+]1 ZINC000898032013 584077367 /nfs/dbraw/zinc/07/73/67/584077367.db2.gz KQAFLDSCWGYDBV-LBPRGKRZSA-N 2 2 219.332 2.636 20 0 BFADLP CC1(C)CC[N@@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000898033937 584078219 /nfs/dbraw/zinc/07/82/19/584078219.db2.gz DPEQEPXIQSEZOR-ZDUSSCGKSA-N 2 2 236.403 2.641 20 0 BFADLP CC1(C)CC[N@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000898033937 584078218 /nfs/dbraw/zinc/07/82/18/584078218.db2.gz DPEQEPXIQSEZOR-ZDUSSCGKSA-N 2 2 236.403 2.641 20 0 BFADLP Cc1ccc(CCC[NH2+]C/C=C\Cl)c[nH+]1 ZINC000898434456 584135855 /nfs/dbraw/zinc/13/58/55/584135855.db2.gz VUOKUUQLTHODIX-CLTKARDFSA-N 2 2 224.735 2.665 20 0 BFADLP CC(C)CC[C@H]([NH2+]CC1([NH3+])CC1)c1ccoc1 ZINC000902408068 584574900 /nfs/dbraw/zinc/57/49/00/584574900.db2.gz WJFWECCGRQPCGZ-ZDUSSCGKSA-N 2 2 236.359 2.838 20 0 BFADLP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CC2)C2CCC2)o1 ZINC000902403666 584587920 /nfs/dbraw/zinc/58/79/20/584587920.db2.gz ALIVWDYCGLHSQD-ZDUSSCGKSA-N 2 2 234.343 2.510 20 0 BFADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H]1C[C@@H]1C ZINC000902429889 584594611 /nfs/dbraw/zinc/59/46/11/584594611.db2.gz BATIUXBNTCQBBC-YRSMIWHRSA-N 2 2 244.382 2.635 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438887 584597002 /nfs/dbraw/zinc/59/70/02/584597002.db2.gz OAVWKESJVCLLMS-MSQAHXEGSA-N 2 2 244.382 2.779 20 0 BFADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccoc1 ZINC000902439257 584597176 /nfs/dbraw/zinc/59/71/76/584597176.db2.gz QOMBLPMGWNKVFN-VCTAVGKDSA-N 2 2 242.322 2.555 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902441935 584597942 /nfs/dbraw/zinc/59/79/42/584597942.db2.gz FYWONKLOBTZVMR-NILFDRSVSA-N 2 2 232.371 2.635 20 0 BFADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000902444296 584598197 /nfs/dbraw/zinc/59/81/97/584598197.db2.gz GQIXUGYVEHKXKM-HUUCEWRRSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1cc2ccccc2o1 ZINC000902414964 584600113 /nfs/dbraw/zinc/60/01/13/584600113.db2.gz IKEWNQYZKQICHB-SNVBAGLBSA-N 2 2 230.311 2.575 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)cc1Cl ZINC000902414977 584600274 /nfs/dbraw/zinc/60/02/74/584600274.db2.gz IPVOZCYYLQLCSV-MRVPVSSYSA-N 2 2 242.725 2.621 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)s1 ZINC000902472545 584601347 /nfs/dbraw/zinc/60/13/47/584601347.db2.gz CSSXQGUILDVBNC-WISYIIOYSA-N 2 2 236.384 2.600 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902446853 584604297 /nfs/dbraw/zinc/60/42/97/584604297.db2.gz VOTSFYBVTHRRBC-UOVKNHIHSA-N 2 2 232.371 2.635 20 0 BFADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000902449401 584606145 /nfs/dbraw/zinc/60/61/45/584606145.db2.gz OAOHXYFSJLAVMF-CABCVRRESA-N 2 2 244.382 2.725 20 0 BFADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000902449402 584606179 /nfs/dbraw/zinc/60/61/79/584606179.db2.gz OAOHXYFSJLAVMF-GJZGRUSLSA-N 2 2 244.382 2.725 20 0 BFADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902463724 584612006 /nfs/dbraw/zinc/61/20/06/584612006.db2.gz BAZYYTNCQONVJS-DZGBDDFRSA-N 2 2 248.345 2.678 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccs1 ZINC000902464567 584612745 /nfs/dbraw/zinc/61/27/45/584612745.db2.gz AGWOEJSFHIGLRX-NNYUYHANSA-N 2 2 236.384 2.682 20 0 BFADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464708 584613560 /nfs/dbraw/zinc/61/35/60/584613560.db2.gz BTAGLBRVFVHBPW-XEZLXBQYSA-N 2 2 248.395 2.608 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(C)c1 ZINC000902468224 584614962 /nfs/dbraw/zinc/61/49/62/584614962.db2.gz RLZKPLQMRKAYBW-LVQVYYBASA-N 2 2 244.382 2.929 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(C)c1 ZINC000902469325 584615715 /nfs/dbraw/zinc/61/57/15/584615715.db2.gz WWUWVZXJLCZMNJ-WMHQRMGPSA-N 2 2 244.382 2.847 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(C)c1 ZINC000902469831 584616848 /nfs/dbraw/zinc/61/68/48/584616848.db2.gz RLZKPLQMRKAYBW-ZJIFWQFVSA-N 2 2 244.382 2.929 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902725139 584660934 /nfs/dbraw/zinc/66/09/34/584660934.db2.gz QMFMFQXPSIMUDH-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902725139 584660935 /nfs/dbraw/zinc/66/09/35/584660935.db2.gz QMFMFQXPSIMUDH-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000902839239 584679843 /nfs/dbraw/zinc/67/98/43/584679843.db2.gz PEMAAZMRUODJOR-QMIVOQANSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C[N@H+]1C1CC1 ZINC000902839239 584679845 /nfs/dbraw/zinc/67/98/45/584679845.db2.gz PEMAAZMRUODJOR-QMIVOQANSA-N 2 2 248.414 2.780 20 0 BFADLP CC[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)[C@@H]1C[C@H]1C ZINC000903197643 584734791 /nfs/dbraw/zinc/73/47/91/584734791.db2.gz RWLHVDOBDKKHKW-DFBGVHRSSA-N 2 2 247.386 2.672 20 0 BFADLP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903198846 584734862 /nfs/dbraw/zinc/73/48/62/584734862.db2.gz PYJKDHOUUARORD-HUUCEWRRSA-N 2 2 247.386 2.672 20 0 BFADLP CCC[C@H](CC)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199510 584734880 /nfs/dbraw/zinc/73/48/80/584734880.db2.gz ZYZHXGBGFYMBFL-LBPRGKRZSA-N 2 2 235.375 2.816 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201758 584735289 /nfs/dbraw/zinc/73/52/89/584735289.db2.gz MONQYWAVMZLODZ-IUODEOHRSA-N 2 2 247.386 2.816 20 0 BFADLP C[C@@H]1C[C@H](Nc2cccc(C3CC3)[nH+]2)CC[N@@H+]1C ZINC000903267534 584741311 /nfs/dbraw/zinc/74/13/11/584741311.db2.gz CPQHOQFVFFHNAF-DGCLKSJQSA-N 2 2 245.370 2.854 20 0 BFADLP C[C@@H](Nc1cccc(C2CC2)[nH+]1)c1[nH]cc[nH+]1 ZINC000903268724 584741803 /nfs/dbraw/zinc/74/18/03/584741803.db2.gz NKYRWCCSFSUHCI-SECBINFHSA-N 2 2 228.299 2.855 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903304183 584742796 /nfs/dbraw/zinc/74/27/96/584742796.db2.gz ZNTBPFAWNTVXPP-IHRRRGAJSA-N 2 2 224.392 2.804 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903304183 584742797 /nfs/dbraw/zinc/74/27/97/584742797.db2.gz ZNTBPFAWNTVXPP-IHRRRGAJSA-N 2 2 224.392 2.804 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300991 584744584 /nfs/dbraw/zinc/74/45/84/584744584.db2.gz MQUBWMLNPFJZCG-OFQRWUPVSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300991 584744586 /nfs/dbraw/zinc/74/45/86/584744586.db2.gz MQUBWMLNPFJZCG-OFQRWUPVSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000903301541 584744900 /nfs/dbraw/zinc/74/49/00/584744900.db2.gz RQXHQZNTIALSJK-OFQRWUPVSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000903301541 584744901 /nfs/dbraw/zinc/74/49/01/584744901.db2.gz RQXHQZNTIALSJK-OFQRWUPVSA-N 2 2 246.398 2.608 20 0 BFADLP Fc1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC000903429244 584761672 /nfs/dbraw/zinc/76/16/72/584761672.db2.gz AUDUNLCMRVMEIM-HUUCEWRRSA-N 2 2 248.345 2.715 20 0 BFADLP Fc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC000903429244 584761673 /nfs/dbraw/zinc/76/16/73/584761673.db2.gz AUDUNLCMRVMEIM-HUUCEWRRSA-N 2 2 248.345 2.715 20 0 BFADLP Cc1ccc(C)c([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903433320 584762255 /nfs/dbraw/zinc/76/22/55/584762255.db2.gz ZSROOAQULDEPMV-KGLIPLIRSA-N 2 2 232.371 2.867 20 0 BFADLP Cc1ccc(C)c([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000903433320 584762256 /nfs/dbraw/zinc/76/22/56/584762256.db2.gz ZSROOAQULDEPMV-KGLIPLIRSA-N 2 2 232.371 2.867 20 0 BFADLP CCC[C@@H](C)[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903461041 584766596 /nfs/dbraw/zinc/76/65/96/584766596.db2.gz NQHKLLZRPZXPGS-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H](C)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903461041 584766598 /nfs/dbraw/zinc/76/65/98/584766598.db2.gz NQHKLLZRPZXPGS-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000903713289 584793486 /nfs/dbraw/zinc/79/34/86/584793486.db2.gz LKRNAIAGUYDQPS-CQSZACIVSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000903713289 584793488 /nfs/dbraw/zinc/79/34/88/584793488.db2.gz LKRNAIAGUYDQPS-CQSZACIVSA-N 2 2 232.371 2.733 20 0 BFADLP CC1CC(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000903751231 584795575 /nfs/dbraw/zinc/79/55/75/584795575.db2.gz GIBSUGSDZNCTSE-PFSRBDOWSA-N 2 2 236.403 2.639 20 0 BFADLP CC1CC(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000903751231 584795577 /nfs/dbraw/zinc/79/55/77/584795577.db2.gz GIBSUGSDZNCTSE-PFSRBDOWSA-N 2 2 236.403 2.639 20 0 BFADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1ccc(F)cc1 ZINC000903795865 584800913 /nfs/dbraw/zinc/80/09/13/584800913.db2.gz QENHIHGFHOFSMB-ZFWWWQNUSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2Cc1ccc(F)cc1 ZINC000903795865 584800914 /nfs/dbraw/zinc/80/09/14/584800914.db2.gz QENHIHGFHOFSMB-ZFWWWQNUSA-N 2 2 248.345 2.529 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903800839 584801729 /nfs/dbraw/zinc/80/17/29/584801729.db2.gz JABJGWCQYCBXQF-ZIAGYGMSSA-N 2 2 222.376 2.546 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903800839 584801730 /nfs/dbraw/zinc/80/17/30/584801730.db2.gz JABJGWCQYCBXQF-ZIAGYGMSSA-N 2 2 222.376 2.546 20 0 BFADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]CC1CCCCC1 ZINC000903821284 584804114 /nfs/dbraw/zinc/80/41/14/584804114.db2.gz JGNLZEZRPDLUMS-HZPDHXFCSA-N 2 2 244.382 2.781 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000903960667 584828488 /nfs/dbraw/zinc/82/84/88/584828488.db2.gz UJCNKCGKVAQJPQ-MLGOLLRUSA-N 2 2 240.350 2.537 20 0 BFADLP C[C@H]1CCCC[C@H]1C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949735 584830302 /nfs/dbraw/zinc/83/03/02/584830302.db2.gz DLXXMSWGZMVWMD-RYUDHWBXSA-N 2 2 233.359 2.580 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)[C@@H]1C ZINC000903951305 584830999 /nfs/dbraw/zinc/83/09/99/584830999.db2.gz VPMDWHUBQCXHCI-GYSYKLTISA-N 2 2 233.359 2.578 20 0 BFADLP CC1(C)CCC[C@H](C[NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950458 584831158 /nfs/dbraw/zinc/83/11/58/584831158.db2.gz OFNWQMSJDWQNIW-LBPRGKRZSA-N 2 2 247.386 2.970 20 0 BFADLP CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903954062 584831617 /nfs/dbraw/zinc/83/16/17/584831617.db2.gz PFJWAGSFJJWCMA-ZIAGYGMSSA-N 2 2 233.359 2.578 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766214219 584939884 /nfs/dbraw/zinc/93/98/84/584939884.db2.gz LNKKTWHHFUGLRG-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766214219 584939885 /nfs/dbraw/zinc/93/98/85/584939885.db2.gz LNKKTWHHFUGLRG-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000765278184 585483610 /nfs/dbraw/zinc/48/36/10/585483610.db2.gz BSUPGQYXZSFYMM-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000765278184 585483611 /nfs/dbraw/zinc/48/36/11/585483611.db2.gz BSUPGQYXZSFYMM-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000765772925 585492536 /nfs/dbraw/zinc/49/25/36/585492536.db2.gz XTBXOZAKRJVRHO-JKSUJKDBSA-N 2 2 246.398 2.610 20 0 BFADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000765772925 585492537 /nfs/dbraw/zinc/49/25/37/585492537.db2.gz XTBXOZAKRJVRHO-JKSUJKDBSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1C ZINC000765772605 585492593 /nfs/dbraw/zinc/49/25/93/585492593.db2.gz WYFBJMMJSSAMQJ-UONOGXRCSA-N 2 2 232.371 2.658 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1C ZINC000765772605 585492594 /nfs/dbraw/zinc/49/25/94/585492594.db2.gz WYFBJMMJSSAMQJ-UONOGXRCSA-N 2 2 232.371 2.658 20 0 BFADLP CC(C)CCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000766121921 585497850 /nfs/dbraw/zinc/49/78/50/585497850.db2.gz RCWLPDSWUCKUJI-HIFRSBDPSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000766121921 585497851 /nfs/dbraw/zinc/49/78/51/585497851.db2.gz RCWLPDSWUCKUJI-HIFRSBDPSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000766266789 585499504 /nfs/dbraw/zinc/49/95/04/585499504.db2.gz BNMPZSVFQJJHKN-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000766266789 585499505 /nfs/dbraw/zinc/49/95/05/585499505.db2.gz BNMPZSVFQJJHKN-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000767349414 585517202 /nfs/dbraw/zinc/51/72/02/585517202.db2.gz SOJDOAIGEHNJOV-LLVKDONJSA-N 2 2 247.342 2.519 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000768606301 585541041 /nfs/dbraw/zinc/54/10/41/585541041.db2.gz SUVMPPPVBIUEBU-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000768606301 585541042 /nfs/dbraw/zinc/54/10/42/585541042.db2.gz SUVMPPPVBIUEBU-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000771390098 585593381 /nfs/dbraw/zinc/59/33/81/585593381.db2.gz VLQWRROIVNWGJY-JYJNAYRXSA-N 2 2 244.382 2.616 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](c3ccccc3)C2)C1 ZINC000771390098 585593382 /nfs/dbraw/zinc/59/33/82/585593382.db2.gz VLQWRROIVNWGJY-JYJNAYRXSA-N 2 2 244.382 2.616 20 0 BFADLP CC[C@](C)([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000775386400 585677159 /nfs/dbraw/zinc/67/71/59/585677159.db2.gz DKVHITSHXPBXKW-INIZCTEOSA-N 2 2 246.398 2.997 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000783225697 585831413 /nfs/dbraw/zinc/83/14/13/585831413.db2.gz WUJGBBMCOKIUIA-OCCSQVGLSA-N 2 2 241.338 2.760 20 0 BFADLP C[C@H]1CC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000783225680 585831438 /nfs/dbraw/zinc/83/14/38/585831438.db2.gz WUJGBBMCOKIUIA-GXTWGEPZSA-N 2 2 241.338 2.760 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000796703152 586110164 /nfs/dbraw/zinc/11/01/64/586110164.db2.gz SIICBRGCOYJQIN-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000806169125 586406530 /nfs/dbraw/zinc/40/65/30/586406530.db2.gz BBVQNIIODRMUOG-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CCC=CO1 ZINC000809649419 586510632 /nfs/dbraw/zinc/51/06/32/586510632.db2.gz URWPBHQXWRTJNP-HNNXBMFYSA-N 2 2 246.354 2.605 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000823836933 587242312 /nfs/dbraw/zinc/24/23/12/587242312.db2.gz MVHAZOFHKOFFJM-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000823836933 587242313 /nfs/dbraw/zinc/24/23/13/587242313.db2.gz MVHAZOFHKOFFJM-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2C=CCC2)c[nH+]1 ZINC000826941642 587366411 /nfs/dbraw/zinc/36/64/11/587366411.db2.gz JOTBNURJDQOIBD-CQSZACIVSA-N 2 2 216.328 2.631 20 0 BFADLP c1cn(CC[NH+]2CCCCCCCC2)c[nH+]1 ZINC000831937524 587637766 /nfs/dbraw/zinc/63/77/66/587637766.db2.gz UBKNZAFBNMDQOY-UHFFFAOYSA-N 2 2 221.348 2.539 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000834607475 587760654 /nfs/dbraw/zinc/76/06/54/587760654.db2.gz XTVRSVRRMOKKOK-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000834607475 587760655 /nfs/dbraw/zinc/76/06/55/587760655.db2.gz XTVRSVRRMOKKOK-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP C(=C\c1ccccc1)\C[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105618 587946331 /nfs/dbraw/zinc/94/63/31/587946331.db2.gz SDOXWMSLXPPTSQ-LWAXHKBTSA-N 2 2 242.366 2.528 20 0 BFADLP C(=C\c1ccccc1)\C[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105618 587946333 /nfs/dbraw/zinc/94/63/33/587946333.db2.gz SDOXWMSLXPPTSQ-LWAXHKBTSA-N 2 2 242.366 2.528 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1([NH+](C)C)CC1 ZINC000841764696 587974823 /nfs/dbraw/zinc/97/48/23/587974823.db2.gz YUDLUAAKXASYBV-OAHLLOKOSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC[C@H]3C)cn21 ZINC000842934107 588072563 /nfs/dbraw/zinc/07/25/63/588072563.db2.gz UPKZFSBGCGQBQX-BXUZGUMPSA-N 2 2 243.354 2.573 20 0 BFADLP CC(C)c1ccccc1C[NH2+]CC[NH+]1CCCC1 ZINC000848526403 588393063 /nfs/dbraw/zinc/39/30/63/588393063.db2.gz ZCCOLSCSSJNGKB-UHFFFAOYSA-N 2 2 246.398 2.995 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000850495149 588551972 /nfs/dbraw/zinc/55/19/72/588551972.db2.gz XJEIGGXEAAMEDP-MJBXVCDLSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000850495149 588551974 /nfs/dbraw/zinc/55/19/74/588551974.db2.gz XJEIGGXEAAMEDP-MJBXVCDLSA-N 2 2 236.403 2.637 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000851989179 588652581 /nfs/dbraw/zinc/65/25/81/588652581.db2.gz GHMYKBQLKMYFNT-CQSZACIVSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000851989179 588652582 /nfs/dbraw/zinc/65/25/82/588652582.db2.gz GHMYKBQLKMYFNT-CQSZACIVSA-N 2 2 247.386 2.790 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000863651485 589307531 /nfs/dbraw/zinc/30/75/31/589307531.db2.gz JWGHQLUWXANKCK-LBPRGKRZSA-N 2 2 244.338 2.726 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000863651485 589307533 /nfs/dbraw/zinc/30/75/33/589307533.db2.gz JWGHQLUWXANKCK-LBPRGKRZSA-N 2 2 244.338 2.726 20 0 BFADLP CC1(C)CCC(C)([NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000864049919 589335347 /nfs/dbraw/zinc/33/53/47/589335347.db2.gz OKDMCBMYAIOCKR-UHFFFAOYSA-N 2 2 221.348 2.858 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCC1CC1 ZINC000866540550 589499623 /nfs/dbraw/zinc/49/96/23/589499623.db2.gz QLDLHPHIUSMGDY-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCC1CC1 ZINC000866540550 589499624 /nfs/dbraw/zinc/49/96/24/589499624.db2.gz QLDLHPHIUSMGDY-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1C ZINC000866723002 589515147 /nfs/dbraw/zinc/51/51/47/589515147.db2.gz DUYCJRPXJHABGF-HOTGVXAUSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1C ZINC000866723002 589515148 /nfs/dbraw/zinc/51/51/48/589515148.db2.gz DUYCJRPXJHABGF-HOTGVXAUSA-N 2 2 244.382 2.630 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866726436 589516260 /nfs/dbraw/zinc/51/62/60/589516260.db2.gz WRNSJIQMJXSVAU-HOTGVXAUSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000866726436 589516262 /nfs/dbraw/zinc/51/62/62/589516262.db2.gz WRNSJIQMJXSVAU-HOTGVXAUSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1cc(C)c(CO[NH+]=C(N)C2CCC2)c(C)[nH+]1 ZINC000871766781 589812409 /nfs/dbraw/zinc/81/24/09/589812409.db2.gz CAESFOSDPRTKSS-UHFFFAOYSA-N 2 2 247.342 2.805 20 0 BFADLP CC[C@@H](CCC(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000872017684 589856884 /nfs/dbraw/zinc/85/68/84/589856884.db2.gz DOILHYDRARDOGY-JTQLQIEISA-N 2 2 249.280 2.594 20 0 BFADLP CC[C@@H](CCC(F)(F)F)[NH2+][C@@H](C)C[NH+](C)C ZINC000872070524 589864481 /nfs/dbraw/zinc/86/44/81/589864481.db2.gz FPMWBOYMGPVZOT-UWVGGRQHSA-N 2 2 240.313 2.647 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CCC[C@H]2C=CCC2)n1C ZINC000873154342 589987509 /nfs/dbraw/zinc/98/75/09/589987509.db2.gz VNVNVMQMCAFMTP-ZDUSSCGKSA-N 2 2 233.359 2.565 20 0 BFADLP Cc1ccc(F)cc1C[NH2+][C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230535 590002099 /nfs/dbraw/zinc/00/20/99/590002099.db2.gz SQAFUEHLKBBVTM-HUUCEWRRSA-N 2 2 248.345 2.508 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccccn1 ZINC000873238129 590005323 /nfs/dbraw/zinc/00/53/23/590005323.db2.gz XPQUSCRTPFEESI-QWHCGFSZSA-N 2 2 247.386 2.510 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000020094193 590072854 /nfs/dbraw/zinc/07/28/54/590072854.db2.gz PZBHCDZVIBMFLW-UKRRQHHQSA-N 2 2 234.387 2.925 20 0 BFADLP CCCCC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000020127064 590075696 /nfs/dbraw/zinc/07/56/96/590075696.db2.gz BVOANPKVQNYUKH-CYBMUJFWSA-N 2 2 212.381 2.641 20 0 BFADLP C[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000124777942 590084622 /nfs/dbraw/zinc/08/46/22/590084622.db2.gz RAEQHRGSYLFKET-GFCCVEGCSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000124777942 590084624 /nfs/dbraw/zinc/08/46/24/590084624.db2.gz RAEQHRGSYLFKET-GFCCVEGCSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C(C)C)[NH+](C)C ZINC000020201495 590085557 /nfs/dbraw/zinc/08/55/57/590085557.db2.gz DEWBFLKYHHVTTL-STQMWFEESA-N 2 2 214.397 2.597 20 0 BFADLP CCCCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506095 590116686 /nfs/dbraw/zinc/11/66/86/590116686.db2.gz QFGBDJXJRTZZKF-CYBMUJFWSA-N 2 2 223.364 2.832 20 0 BFADLP CC1=C(C)C[C@H]([C@H](C)[NH2+]CC[NH+](C)C)CC1 ZINC000877462115 590328879 /nfs/dbraw/zinc/32/88/79/590328879.db2.gz KQMOBWATSBKDIJ-UONOGXRCSA-N 2 2 224.392 2.663 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2(C)CCCC2)C1 ZINC000877529044 590349335 /nfs/dbraw/zinc/34/93/35/590349335.db2.gz RCLVMSUSARPXMG-ZDUSSCGKSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2(C)CCCC2)C1 ZINC000877529044 590349338 /nfs/dbraw/zinc/34/93/38/590349338.db2.gz RCLVMSUSARPXMG-ZDUSSCGKSA-N 2 2 247.386 2.790 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878059459 590484894 /nfs/dbraw/zinc/48/48/94/590484894.db2.gz KNRKHFMHPCJTAB-NQHOJNORSA-N 2 2 231.343 2.652 20 0 BFADLP C=C/C=C\CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878059459 590484896 /nfs/dbraw/zinc/48/48/96/590484896.db2.gz KNRKHFMHPCJTAB-NQHOJNORSA-N 2 2 231.343 2.652 20 0 BFADLP C=C/C=C/CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000878239268 590528461 /nfs/dbraw/zinc/52/84/61/590528461.db2.gz DIKNNPWWMPZLQT-GJBLVYBDSA-N 2 2 222.376 2.581 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000878239268 590528463 /nfs/dbraw/zinc/52/84/63/590528463.db2.gz DIKNNPWWMPZLQT-GJBLVYBDSA-N 2 2 222.376 2.581 20 0 BFADLP C[C@@H]1CC[N@H+](CCCC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000878284919 590533528 /nfs/dbraw/zinc/53/35/28/590533528.db2.gz WWWNLMHLLOPHAA-HIFRSBDPSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CC[N@@H+](CCCC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000878284919 590533530 /nfs/dbraw/zinc/53/35/30/590533530.db2.gz WWWNLMHLLOPHAA-HIFRSBDPSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CC[N@@H+]1C ZINC000127812837 590789581 /nfs/dbraw/zinc/78/95/81/590789581.db2.gz WSJUHDGIMRSYFA-JSGCOSHPSA-N 2 2 247.386 2.647 20 0 BFADLP C[C@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CC[N@H+]1C ZINC000127812837 590789586 /nfs/dbraw/zinc/78/95/86/590789586.db2.gz WSJUHDGIMRSYFA-JSGCOSHPSA-N 2 2 247.386 2.647 20 0 BFADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@H]3C=CCCCCC3)CC[C@@H]21 ZINC000879583724 590824087 /nfs/dbraw/zinc/82/40/87/590824087.db2.gz ZLEGYQLNRWVTEW-PMPSAXMXSA-N 2 2 248.414 2.901 20 0 BFADLP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3C=CCCCCC3)CC[C@@H]21 ZINC000879583724 590824092 /nfs/dbraw/zinc/82/40/92/590824092.db2.gz ZLEGYQLNRWVTEW-PMPSAXMXSA-N 2 2 248.414 2.901 20 0 BFADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3C=CCCCCC3)CC[C@@H]21 ZINC000879583724 590824097 /nfs/dbraw/zinc/82/40/97/590824097.db2.gz ZLEGYQLNRWVTEW-PMPSAXMXSA-N 2 2 248.414 2.901 20 0 BFADLP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3C=CCCCCC3)CC[C@@H]21 ZINC000879583724 590824101 /nfs/dbraw/zinc/82/41/01/590824101.db2.gz ZLEGYQLNRWVTEW-PMPSAXMXSA-N 2 2 248.414 2.901 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC000880133183 590934494 /nfs/dbraw/zinc/93/44/94/590934494.db2.gz ZXPGDKMUDOLWBO-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC000880133183 590934497 /nfs/dbraw/zinc/93/44/97/590934497.db2.gz ZXPGDKMUDOLWBO-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC000880133183 590934499 /nfs/dbraw/zinc/93/44/99/590934499.db2.gz ZXPGDKMUDOLWBO-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CCCCC1 ZINC000880133183 590934503 /nfs/dbraw/zinc/93/45/03/590934503.db2.gz ZXPGDKMUDOLWBO-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136498 590936354 /nfs/dbraw/zinc/93/63/54/590936354.db2.gz MSEDNMSYIRMLIP-WEHDMVHDSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C/CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136498 590936355 /nfs/dbraw/zinc/93/63/55/590936355.db2.gz MSEDNMSYIRMLIP-WEHDMVHDSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136498 590936358 /nfs/dbraw/zinc/93/63/58/590936358.db2.gz MSEDNMSYIRMLIP-WEHDMVHDSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880136498 590936360 /nfs/dbraw/zinc/93/63/60/590936360.db2.gz MSEDNMSYIRMLIP-WEHDMVHDSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880141969 590936862 /nfs/dbraw/zinc/93/68/62/590936862.db2.gz LGSHHANNVUMXQZ-KGLIPLIRSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141969 590936863 /nfs/dbraw/zinc/93/68/63/590936863.db2.gz LGSHHANNVUMXQZ-KGLIPLIRSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880141969 590936865 /nfs/dbraw/zinc/93/68/65/590936865.db2.gz LGSHHANNVUMXQZ-KGLIPLIRSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880141969 590936867 /nfs/dbraw/zinc/93/68/67/590936867.db2.gz LGSHHANNVUMXQZ-KGLIPLIRSA-N 2 2 222.376 2.511 20 0 BFADLP CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880134176 590938684 /nfs/dbraw/zinc/93/86/84/590938684.db2.gz RRXGIMWPSQFOFZ-ZIAGYGMSSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880134176 590938685 /nfs/dbraw/zinc/93/86/85/590938685.db2.gz RRXGIMWPSQFOFZ-ZIAGYGMSSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880134176 590938687 /nfs/dbraw/zinc/93/86/87/590938687.db2.gz RRXGIMWPSQFOFZ-ZIAGYGMSSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880134176 590938688 /nfs/dbraw/zinc/93/86/88/590938688.db2.gz RRXGIMWPSQFOFZ-ZIAGYGMSSA-N 2 2 224.392 2.735 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CC2(CCC2)C1 ZINC000880141723 590941763 /nfs/dbraw/zinc/94/17/63/590941763.db2.gz SVNJJEFZQCZNLO-CABCVRRESA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CC2(CCC2)C1 ZINC000880141723 590941764 /nfs/dbraw/zinc/94/17/64/590941764.db2.gz SVNJJEFZQCZNLO-CABCVRRESA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC2(CCC2)C1 ZINC000880141723 590941766 /nfs/dbraw/zinc/94/17/66/590941766.db2.gz SVNJJEFZQCZNLO-CABCVRRESA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC2(CCC2)C1 ZINC000880141723 590941767 /nfs/dbraw/zinc/94/17/67/590941767.db2.gz SVNJJEFZQCZNLO-CABCVRRESA-N 2 2 248.414 2.735 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC(C)(C)C1 ZINC000880142659 590942549 /nfs/dbraw/zinc/94/25/49/590942549.db2.gz RRDLNBHRFXHZGA-KBPBESRZSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC(C)(C)C1 ZINC000880142659 590942550 /nfs/dbraw/zinc/94/25/50/590942550.db2.gz RRDLNBHRFXHZGA-KBPBESRZSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC(C)(C)C1 ZINC000880142659 590942551 /nfs/dbraw/zinc/94/25/51/590942551.db2.gz RRDLNBHRFXHZGA-KBPBESRZSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC(C)(C)C1 ZINC000880142659 590942552 /nfs/dbraw/zinc/94/25/52/590942552.db2.gz RRDLNBHRFXHZGA-KBPBESRZSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC000880143073 590944344 /nfs/dbraw/zinc/94/43/44/590944344.db2.gz XRULWPMXERNRLE-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC000880143073 590944347 /nfs/dbraw/zinc/94/43/47/590944347.db2.gz XRULWPMXERNRLE-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCC1 ZINC000880143073 590944349 /nfs/dbraw/zinc/94/43/49/590944349.db2.gz XRULWPMXERNRLE-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCC1CCC1 ZINC000880143073 590944352 /nfs/dbraw/zinc/94/43/52/590944352.db2.gz XRULWPMXERNRLE-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CCCC[C@H](CC)CC[NH2+][C@H]1CC[N@H+](C)C1 ZINC000128729727 591156569 /nfs/dbraw/zinc/15/65/69/591156569.db2.gz XAGRTKMZDDFYJV-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@H](CC)CC[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000128729727 591156572 /nfs/dbraw/zinc/15/65/72/591156572.db2.gz XAGRTKMZDDFYJV-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1cccc(NCc2[nH]cc(C(C)C)[nH+]2)[nH+]1 ZINC000882906624 591473620 /nfs/dbraw/zinc/47/36/20/591473620.db2.gz OXPOLWYGHFPLLX-UHFFFAOYSA-N 2 2 230.315 2.849 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000130537268 591481141 /nfs/dbraw/zinc/48/11/41/591481141.db2.gz GVSOCVUVCZBZBL-HIFRSBDPSA-N 2 2 232.371 2.658 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000130537268 591481142 /nfs/dbraw/zinc/48/11/42/591481142.db2.gz GVSOCVUVCZBZBL-HIFRSBDPSA-N 2 2 232.371 2.658 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](Cc2coc3ccccc23)C1 ZINC000131031127 591542649 /nfs/dbraw/zinc/54/26/49/591542649.db2.gz WAGOTXIEELJZPY-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](Cc2coc3ccccc23)C1 ZINC000131031127 591542652 /nfs/dbraw/zinc/54/26/52/591542652.db2.gz WAGOTXIEELJZPY-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322805 591616290 /nfs/dbraw/zinc/61/62/90/591616290.db2.gz WASIQAFWWAUXSF-RHMLRGBNSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322805 591616293 /nfs/dbraw/zinc/61/62/93/591616293.db2.gz WASIQAFWWAUXSF-RHMLRGBNSA-N 2 2 248.414 2.637 20 0 BFADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c[nH+]c1C ZINC000883341860 591619909 /nfs/dbraw/zinc/61/99/09/591619909.db2.gz BXKRGGFAUSYBJR-WCQYABFASA-N 2 2 233.359 2.593 20 0 BFADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c[nH+]c1C ZINC000883341860 591619916 /nfs/dbraw/zinc/61/99/16/591619916.db2.gz BXKRGGFAUSYBJR-WCQYABFASA-N 2 2 233.359 2.593 20 0 BFADLP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c[nH+]c1C ZINC000883341859 591620211 /nfs/dbraw/zinc/62/02/11/591620211.db2.gz BXKRGGFAUSYBJR-DGCLKSJQSA-N 2 2 233.359 2.593 20 0 BFADLP Cc1cc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c[nH+]c1C ZINC000883341859 591620212 /nfs/dbraw/zinc/62/02/12/591620212.db2.gz BXKRGGFAUSYBJR-DGCLKSJQSA-N 2 2 233.359 2.593 20 0 BFADLP CC[NH+]1CCC(Nc2c[nH+]c(C)c(C)c2)CC1 ZINC000883341661 591620304 /nfs/dbraw/zinc/62/03/04/591620304.db2.gz XATMBIXVQUOUFG-UHFFFAOYSA-N 2 2 233.359 2.595 20 0 BFADLP CC[N@@H+]1CC[C@@H](Nc2c[nH+]c(C)c(C)c2)[C@H](C)C1 ZINC000883340866 591620600 /nfs/dbraw/zinc/62/06/00/591620600.db2.gz BAAYDGIDXGHJMB-IUODEOHRSA-N 2 2 247.386 2.841 20 0 BFADLP CC[N@H+]1CC[C@@H](Nc2c[nH+]c(C)c(C)c2)[C@H](C)C1 ZINC000883340866 591620604 /nfs/dbraw/zinc/62/06/04/591620604.db2.gz BAAYDGIDXGHJMB-IUODEOHRSA-N 2 2 247.386 2.841 20 0 BFADLP CC[NH+](CC)CCC[NH2+]Cc1cc(C)oc1C ZINC000135610076 592025584 /nfs/dbraw/zinc/02/55/84/592025584.db2.gz HHEZJKRDCIACEZ-UHFFFAOYSA-N 2 2 238.375 2.718 20 0 BFADLP C[NH+](C)C1(C[NH2+]C/C=C/c2cccc(F)c2)CC1 ZINC000886147031 592162980 /nfs/dbraw/zinc/16/29/80/592162980.db2.gz HUKFBVCXAHIQRS-GQCTYLIASA-N 2 2 248.345 2.523 20 0 BFADLP CCC1([NH+]2CCC2)CC[NH+](C/C=C/Cl)CC1 ZINC000886707914 592307875 /nfs/dbraw/zinc/30/78/75/592307875.db2.gz WJJVYKOKQDNCQQ-XVNBXDOJSA-N 2 2 242.794 2.689 20 0 BFADLP C1[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C12CCCC2 ZINC000926285047 631544102 /nfs/dbraw/zinc/54/41/02/631544102.db2.gz OGGOPRQRNCZERK-ZNMIVQPWSA-N 2 2 248.414 2.926 20 0 BFADLP C1[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCC2 ZINC000926285047 631544108 /nfs/dbraw/zinc/54/41/08/631544108.db2.gz OGGOPRQRNCZERK-ZNMIVQPWSA-N 2 2 248.414 2.926 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C12CCCC2 ZINC000926285028 631545575 /nfs/dbraw/zinc/54/55/75/631545575.db2.gz OGGOPRQRNCZERK-RRFJBIMHSA-N 2 2 248.414 2.926 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C12CCCC2 ZINC000926285028 631545583 /nfs/dbraw/zinc/54/55/83/631545583.db2.gz OGGOPRQRNCZERK-RRFJBIMHSA-N 2 2 248.414 2.926 20 0 BFADLP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(C)c1 ZINC000091540781 632064743 /nfs/dbraw/zinc/06/47/43/632064743.db2.gz WHJCPILZJOAQDD-KGLIPLIRSA-N 2 2 232.371 2.949 20 0 BFADLP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1cccc(C)c1 ZINC000091540781 632064750 /nfs/dbraw/zinc/06/47/50/632064750.db2.gz WHJCPILZJOAQDD-KGLIPLIRSA-N 2 2 232.371 2.949 20 0 BFADLP CCCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000892413949 632654190 /nfs/dbraw/zinc/65/41/90/632654190.db2.gz NJHJUENMFKDVDE-STQMWFEESA-N 2 2 244.448 2.592 20 0 BFADLP CCCSC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000892413949 632654193 /nfs/dbraw/zinc/65/41/93/632654193.db2.gz NJHJUENMFKDVDE-STQMWFEESA-N 2 2 244.448 2.592 20 0 BFADLP C1=CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926744110 632942549 /nfs/dbraw/zinc/94/25/49/632942549.db2.gz LGHBRCSNIZQHFM-HUUCEWRRSA-N 2 2 234.387 2.559 20 0 BFADLP C1=CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926744110 632942559 /nfs/dbraw/zinc/94/25/59/632942559.db2.gz LGHBRCSNIZQHFM-HUUCEWRRSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC1(C)C)[NH+]1CCCCC1 ZINC000309449412 633083102 /nfs/dbraw/zinc/08/31/02/633083102.db2.gz QKXUSJDTEYROFL-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925605100 634135543 /nfs/dbraw/zinc/13/55/43/634135543.db2.gz PCZJACSTEQXETE-MYPMTAMASA-N 2 2 232.371 2.853 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]CC1CCCCC1 ZINC000053343178 634170270 /nfs/dbraw/zinc/17/02/70/634170270.db2.gz PISMAORNNIBQKM-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]CC1CCCCC1 ZINC000053343178 634170274 /nfs/dbraw/zinc/17/02/74/634170274.db2.gz PISMAORNNIBQKM-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000053343240 634170975 /nfs/dbraw/zinc/17/09/75/634170975.db2.gz IULAUSMJPUWVAN-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000053343240 634170983 /nfs/dbraw/zinc/17/09/83/634170983.db2.gz IULAUSMJPUWVAN-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH3+])[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000925672518 634258051 /nfs/dbraw/zinc/25/80/51/634258051.db2.gz JLYUQRYXLVRRGM-FPMFFAJLSA-N 2 2 232.371 2.853 20 0 BFADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000925672521 634258918 /nfs/dbraw/zinc/25/89/18/634258918.db2.gz JLYUQRYXLVRRGM-UBHSHLNASA-N 2 2 232.371 2.853 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000925786302 635304858 /nfs/dbraw/zinc/30/48/58/635304858.db2.gz ZGSIEVSCWTVUJY-UHOFOFEASA-N 2 2 244.382 2.725 20 0 BFADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@]12C[C@H]1CCC2 ZINC000927121284 637038239 /nfs/dbraw/zinc/03/82/39/637038239.db2.gz KZHVVWYIAKUQOI-QXSJWSMHSA-N 2 2 248.414 2.783 20 0 BFADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@]12C[C@H]1CCC2 ZINC000927121284 637038242 /nfs/dbraw/zinc/03/82/42/637038242.db2.gz KZHVVWYIAKUQOI-QXSJWSMHSA-N 2 2 248.414 2.783 20 0 BFADLP C[C@H]1CC[C@H](C)C1[NH2+]CCCCn1cc[nH+]c1 ZINC000924733676 637043672 /nfs/dbraw/zinc/04/36/72/637043672.db2.gz VKOIMNHVCYQGFD-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(C)cc1 ZINC000042407803 637230037 /nfs/dbraw/zinc/23/00/37/637230037.db2.gz RLXCXWSBKNXFAS-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccc(C)cc1 ZINC000042407803 637230048 /nfs/dbraw/zinc/23/00/48/637230048.db2.gz RLXCXWSBKNXFAS-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903868090 637386466 /nfs/dbraw/zinc/38/64/66/637386466.db2.gz VRIJTLCODMZTDB-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000903868090 637386471 /nfs/dbraw/zinc/38/64/71/637386471.db2.gz VRIJTLCODMZTDB-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP CC(C)(C)CC[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904459850 637421528 /nfs/dbraw/zinc/42/15/28/637421528.db2.gz YOQAQQLEIZWISE-ZIAGYGMSSA-N 2 2 232.371 2.637 20 0 BFADLP C[C@@H](c1ccncc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350830 640168055 /nfs/dbraw/zinc/16/80/55/640168055.db2.gz ZUEQFADPESMFBA-ZDUSSCGKSA-N 2 2 247.386 2.559 20 0 BFADLP Cc1cccc(C)c1C[N@H+](C)CCn1cc[nH+]c1 ZINC000933767170 640765661 /nfs/dbraw/zinc/76/56/61/640765661.db2.gz PFSWRHDNFPFZQC-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP Cc1cccc(C)c1C[N@@H+](C)CCn1cc[nH+]c1 ZINC000933767170 640765663 /nfs/dbraw/zinc/76/56/63/640765663.db2.gz PFSWRHDNFPFZQC-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP CC(C)(C)[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000324347419 641709338 /nfs/dbraw/zinc/70/93/38/641709338.db2.gz FPFPWLRVXIFGOX-CYBMUJFWSA-N 2 2 235.375 2.688 20 0 BFADLP CC1CC(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929991359 642097906 /nfs/dbraw/zinc/09/79/06/642097906.db2.gz GARISHKDQXCFFA-WXRRBKDZSA-N 2 2 233.359 2.635 20 0 BFADLP CC1CC(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929991359 642097908 /nfs/dbraw/zinc/09/79/08/642097908.db2.gz GARISHKDQXCFFA-WXRRBKDZSA-N 2 2 233.359 2.635 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000245225069 644518203 /nfs/dbraw/zinc/51/82/03/644518203.db2.gz LZDWKALWICXCMU-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP C(C[NH+]1CCC2(CCCC2)CC1)[NH+]1CCCC1 ZINC000089903431 644571728 /nfs/dbraw/zinc/57/17/28/644571728.db2.gz KUYANJJBPKBMPH-UHFFFAOYSA-N 2 2 236.403 2.738 20 0 BFADLP C[C@H](C[NH2+]C1CCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000252211929 644841507 /nfs/dbraw/zinc/84/15/07/644841507.db2.gz WPAIYBKLCZQGSY-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+]C1CCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000252211929 644841514 /nfs/dbraw/zinc/84/15/14/644841514.db2.gz WPAIYBKLCZQGSY-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926721039 645384293 /nfs/dbraw/zinc/38/42/93/645384293.db2.gz GHPAINWYRLXKOJ-YDHLFZDLSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)C[C@]1(C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926721039 645384296 /nfs/dbraw/zinc/38/42/96/645384296.db2.gz GHPAINWYRLXKOJ-YDHLFZDLSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848927029 645442873 /nfs/dbraw/zinc/44/28/73/645442873.db2.gz AHYJWPNOMAQUOI-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848927029 645442885 /nfs/dbraw/zinc/44/28/85/645442885.db2.gz AHYJWPNOMAQUOI-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000924903980 646128577 /nfs/dbraw/zinc/12/85/77/646128577.db2.gz MTBQVDMSUOBXOW-ZDUSSCGKSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000924903980 646128581 /nfs/dbraw/zinc/12/85/81/646128581.db2.gz MTBQVDMSUOBXOW-ZDUSSCGKSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCCCCCC1 ZINC000035275498 646180891 /nfs/dbraw/zinc/18/08/91/646180891.db2.gz HVPMFZYBLMWONV-CYBMUJFWSA-N 2 2 235.375 2.974 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000929803906 646328202 /nfs/dbraw/zinc/32/82/02/646328202.db2.gz QEZOFGYDLZWSME-YPMHNXCESA-N 2 2 233.359 2.635 20 0 BFADLP C[C@@H]([NH3+])[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000925707453 646433002 /nfs/dbraw/zinc/43/30/02/646433002.db2.gz PVJHFMWKWARWPX-CAPXZKIUSA-N 2 2 244.382 2.853 20 0 BFADLP F[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925725989 646452707 /nfs/dbraw/zinc/45/27/07/646452707.db2.gz OOSJXSQNRVFLOQ-AGIUHOORSA-N 2 2 240.366 2.531 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000925784059 646481449 /nfs/dbraw/zinc/48/14/49/646481449.db2.gz PGNZQYKTSZEFTF-DAXOMENPSA-N 2 2 244.382 2.652 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925785619 646481786 /nfs/dbraw/zinc/48/17/86/646481786.db2.gz LQWAKRRZCOOEHD-CKYFFXLPSA-N 2 2 238.400 2.569 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925787859 646482867 /nfs/dbraw/zinc/48/28/67/646482867.db2.gz VWKFEPGCKHDJHI-UMVBOHGHSA-N 2 2 232.371 2.562 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H](C2CC2)C(C)(C)C)CCC1 ZINC000926245380 646604502 /nfs/dbraw/zinc/60/45/02/646604502.db2.gz ZIWAEDATUICPGX-ZDUSSCGKSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926347441 646622012 /nfs/dbraw/zinc/62/20/12/646622012.db2.gz MBDHIYYBUBVBIC-KBUPBQIOSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926347441 646622014 /nfs/dbraw/zinc/62/20/14/646622014.db2.gz MBDHIYYBUBVBIC-KBUPBQIOSA-N 2 2 236.403 2.782 20 0 BFADLP CC(F)(F)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926494247 646662201 /nfs/dbraw/zinc/66/22/01/646662201.db2.gz CPVSTVLQMVZUMQ-VXGBXAGGSA-N 2 2 246.345 2.638 20 0 BFADLP CC(F)(F)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926494247 646662203 /nfs/dbraw/zinc/66/22/03/646662203.db2.gz CPVSTVLQMVZUMQ-VXGBXAGGSA-N 2 2 246.345 2.638 20 0 BFADLP CC[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156479 712549621 /nfs/dbraw/zinc/54/96/21/712549621.db2.gz TYPWABHRTKXTHA-NEPJUHHUSA-N 2 2 223.364 2.686 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[NH+](C)C ZINC000038087668 712806548 /nfs/dbraw/zinc/80/65/48/712806548.db2.gz JCMJTGFLOVZTOV-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000381331902 710623673 /nfs/dbraw/zinc/62/36/73/710623673.db2.gz UFEJZOQIJUTWLB-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CCC1)[NH+]1CCCCC1 ZINC000393801679 710755500 /nfs/dbraw/zinc/75/55/00/710755500.db2.gz RLDHFAZHRYAZRR-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC2CCC1CC2)[N@H+](C)C1CC1 ZINC000382079975 710772815 /nfs/dbraw/zinc/77/28/15/710772815.db2.gz FAKZENLWFXNLHQ-LPXQKFACSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC2CCC1CC2)[N@@H+](C)C1CC1 ZINC000382079975 710772817 /nfs/dbraw/zinc/77/28/17/710772817.db2.gz FAKZENLWFXNLHQ-LPXQKFACSA-N 2 2 236.403 2.637 20 0 BFADLP CSC(C)(C)CC[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000385880622 711018579 /nfs/dbraw/zinc/01/85/79/711018579.db2.gz XAHCWFJYPQGUNA-NSHDSACASA-N 2 2 244.448 2.590 20 0 BFADLP CSC(C)(C)CC[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000385880622 711018582 /nfs/dbraw/zinc/01/85/82/711018582.db2.gz XAHCWFJYPQGUNA-NSHDSACASA-N 2 2 244.448 2.590 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[NH+]1CCCCC1 ZINC000397809454 711392967 /nfs/dbraw/zinc/39/29/67/711392967.db2.gz HYEBELLRGNATDV-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)(C)C ZINC000381257674 710613593 /nfs/dbraw/zinc/61/35/93/710613593.db2.gz RCHXVWHMTNHKIQ-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)(C)C ZINC000381257674 710613597 /nfs/dbraw/zinc/61/35/97/710613597.db2.gz RCHXVWHMTNHKIQ-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCC2(CC2)C1)[N@H+](C)C1CC1 ZINC000723574818 711518942 /nfs/dbraw/zinc/51/89/42/711518942.db2.gz UYXGJJBPNGIHFM-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCC2(CC2)C1)[N@@H+](C)C1CC1 ZINC000723574818 711518946 /nfs/dbraw/zinc/51/89/46/711518946.db2.gz UYXGJJBPNGIHFM-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2CCCC3(CC3)C2)c[nH+]1 ZINC000723600609 711523466 /nfs/dbraw/zinc/52/34/66/711523466.db2.gz UMWLBNIYZHVOCT-CQSZACIVSA-N 2 2 247.386 2.976 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394249276 711684867 /nfs/dbraw/zinc/68/48/67/711684867.db2.gz ZEAKALWQIBTEJW-PFSRBDOWSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394249276 711684870 /nfs/dbraw/zinc/68/48/70/711684870.db2.gz ZEAKALWQIBTEJW-PFSRBDOWSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000334979881 711719411 /nfs/dbraw/zinc/71/94/11/711719411.db2.gz JYJFXHJVQAMMCI-HOCLYGCPSA-N 2 2 244.382 2.884 20 0 BFADLP Cc1cccc([C@H](C)[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000334979881 711719414 /nfs/dbraw/zinc/71/94/14/711719414.db2.gz JYJFXHJVQAMMCI-HOCLYGCPSA-N 2 2 244.382 2.884 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000257647240 711721220 /nfs/dbraw/zinc/72/12/20/711721220.db2.gz CJQJARIKGSJJLU-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000257647240 711721223 /nfs/dbraw/zinc/72/12/23/711721223.db2.gz CJQJARIKGSJJLU-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000925788036 711751785 /nfs/dbraw/zinc/75/17/85/711751785.db2.gz XPJVJEXPEBNIIE-VNHYZAJKSA-N 2 2 232.371 2.562 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1CC=CCC1 ZINC000035258919 712172415 /nfs/dbraw/zinc/17/24/15/712172415.db2.gz LEKYEPVPUCQEEN-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP C=C/C=C/CC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000713746651 712471166 /nfs/dbraw/zinc/47/11/66/712471166.db2.gz FJHNBVCLLMHNSE-MEGKRXCUSA-N 2 2 242.366 2.545 20 0 BFADLP C=C/C=C/CC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000713746651 712471167 /nfs/dbraw/zinc/47/11/67/712471167.db2.gz FJHNBVCLLMHNSE-MEGKRXCUSA-N 2 2 242.366 2.545 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CC[C@H]1CCCC1(F)F ZINC000713988104 712476423 /nfs/dbraw/zinc/47/64/23/712476423.db2.gz LLINDGOSCXLDGP-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CCC[C@H](C)C[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037153211 712548047 /nfs/dbraw/zinc/54/80/47/712548047.db2.gz GFGDHMLGWAPZLI-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156482 712549573 /nfs/dbraw/zinc/54/95/73/712549573.db2.gz TYPWABHRTKXTHA-RYUDHWBXSA-N 2 2 223.364 2.686 20 0 BFADLP Cc1coc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000718095632 712743040 /nfs/dbraw/zinc/74/30/40/712743040.db2.gz WIVGBSOJQHXASS-QWHCGFSZSA-N 2 2 236.359 2.550 20 0 BFADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC001205094687 965728704 /nfs/dbraw/zinc/72/87/04/965728704.db2.gz OAZFLEGXJXGBGQ-VIFPVBQESA-N 2 2 244.791 2.715 20 0 BFADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001205094687 965728719 /nfs/dbraw/zinc/72/87/19/965728719.db2.gz OAZFLEGXJXGBGQ-VIFPVBQESA-N 2 2 244.791 2.715 20 0 BFADLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])sc1C ZINC001204933073 967238757 /nfs/dbraw/zinc/23/87/57/967238757.db2.gz QMNLJLFNPRTIOM-GFCCVEGCSA-N 2 2 238.400 2.678 20 0 BFADLP C[C@@H]1C[C@@H](F)C[N@@H+]1CCC[NH2+]C1CCCCC1 ZINC001205318193 967531861 /nfs/dbraw/zinc/53/18/61/967531861.db2.gz STVSNYVDVCDTHT-CHWSQXEVSA-N 2 2 242.382 2.731 20 0 BFADLP C[C@@H]1C[C@@H](F)C[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001205318193 967531903 /nfs/dbraw/zinc/53/19/03/967531903.db2.gz STVSNYVDVCDTHT-CHWSQXEVSA-N 2 2 242.382 2.731 20 0 BFADLP F[C@@H]1CCCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448098 969517309 /nfs/dbraw/zinc/51/73/09/969517309.db2.gz MYMYZBQZNPUHMZ-CQSZACIVSA-N 2 2 242.382 2.686 20 0 BFADLP F[C@@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448098 969517316 /nfs/dbraw/zinc/51/73/16/969517316.db2.gz MYMYZBQZNPUHMZ-CQSZACIVSA-N 2 2 242.382 2.686 20 0 BFADLP CCCCCC[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254834700 969795124 /nfs/dbraw/zinc/79/51/24/969795124.db2.gz YDPAEDLUFGXGPR-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC001255957174 970593446 /nfs/dbraw/zinc/59/34/46/970593446.db2.gz PALBWROJPHOVAX-ZIAGYGMSSA-N 2 2 244.398 2.931 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC001255957174 970593453 /nfs/dbraw/zinc/59/34/53/970593453.db2.gz PALBWROJPHOVAX-ZIAGYGMSSA-N 2 2 244.398 2.931 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000070748572 978890999 /nfs/dbraw/zinc/89/09/99/978890999.db2.gz VSSWKVGYIYQVFP-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)C1 ZINC000070748572 978891008 /nfs/dbraw/zinc/89/10/08/978891008.db2.gz VSSWKVGYIYQVFP-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CC[N@@H+]1CC[C@@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001235067297 978967098 /nfs/dbraw/zinc/96/70/98/978967098.db2.gz YGKBFULSGNIXPJ-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CC[N@H+]1CC[C@@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001235067297 978967101 /nfs/dbraw/zinc/96/71/01/978967101.db2.gz YGKBFULSGNIXPJ-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H]2CC=C(C)C2(C)C)C1 ZINC001235828532 979163114 /nfs/dbraw/zinc/16/31/14/979163114.db2.gz CDBDJMCWFANVOY-ZIAGYGMSSA-N 2 2 236.403 2.663 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H]2CC=C(C)C2(C)C)C1 ZINC001235828532 979163117 /nfs/dbraw/zinc/16/31/17/979163117.db2.gz CDBDJMCWFANVOY-ZIAGYGMSSA-N 2 2 236.403 2.663 20 0 BFADLP Cc1ccsc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236199044 979444481 /nfs/dbraw/zinc/44/44/81/979444481.db2.gz CSKSAXCZLDHWJX-CYBMUJFWSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1ccsc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236199044 979444487 /nfs/dbraw/zinc/44/44/87/979444487.db2.gz CSKSAXCZLDHWJX-CYBMUJFWSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205804289 982564074 /nfs/dbraw/zinc/56/40/74/982564074.db2.gz MNRVGLFQSJSTIH-JQWIXIFHSA-N 2 2 238.400 2.616 20 0 BFADLP CCC[C@@H](C)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001201552225 983306811 /nfs/dbraw/zinc/30/68/11/983306811.db2.gz BXEISOZJJFNILF-CYBMUJFWSA-N 2 2 223.364 2.641 20 0 BFADLP CCC[C@@H](C)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001201552225 983306817 /nfs/dbraw/zinc/30/68/17/983306817.db2.gz BXEISOZJJFNILF-CYBMUJFWSA-N 2 2 223.364 2.641 20 0 BFADLP CC[C@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC001172384716 974729846 /nfs/dbraw/zinc/72/98/46/974729846.db2.gz WIONLFJRGYABNB-CYBMUJFWSA-N 2 2 223.364 2.688 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001172387169 974731696 /nfs/dbraw/zinc/73/16/96/974731696.db2.gz UEPLZVNAOYXPOB-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCC1CCC(n2c[nH+]c(C)c2CC[NH3+])CC1 ZINC001256866253 971003523 /nfs/dbraw/zinc/00/35/23/971003523.db2.gz KBESOMFZEBAZCD-UHFFFAOYSA-N 2 2 235.375 2.834 20 0 BFADLP Cc1c(/C=C/C2CC[NH2+]CC2)ccc2[nH+]ccn21 ZINC001243897667 971020510 /nfs/dbraw/zinc/02/05/10/971020510.db2.gz ZESZSWUQNVXYNP-NSCUHMNNSA-N 2 2 241.338 2.656 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+]2CCCCC23CC3)CC1 ZINC001257222013 971132962 /nfs/dbraw/zinc/13/29/62/971132962.db2.gz OYOODDVEKKNQJG-UHFFFAOYSA-N 2 2 236.403 2.878 20 0 BFADLP CC(C)[NH+]1CCC([N@H+]2CCCCC23CC3)CC1 ZINC001257222013 971132965 /nfs/dbraw/zinc/13/29/65/971132965.db2.gz OYOODDVEKKNQJG-UHFFFAOYSA-N 2 2 236.403 2.878 20 0 BFADLP CCC[C@H](CC)[NH2+]CCOc1cc[nH+]cc1 ZINC001257252870 971150461 /nfs/dbraw/zinc/15/04/61/971150461.db2.gz JHLHNJAXZCKYTN-LBPRGKRZSA-N 2 2 222.332 2.629 20 0 BFADLP CCC[C@@H](CC)[N@H+](CC)CCn1cc[nH+]c1 ZINC001257271885 971174111 /nfs/dbraw/zinc/17/41/11/971174111.db2.gz URRQOCWFABRRBZ-CYBMUJFWSA-N 2 2 223.364 2.784 20 0 BFADLP CCC[C@@H](CC)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001257271885 971174116 /nfs/dbraw/zinc/17/41/16/971174116.db2.gz URRQOCWFABRRBZ-CYBMUJFWSA-N 2 2 223.364 2.784 20 0 BFADLP CCC(CC)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001257291541 971178214 /nfs/dbraw/zinc/17/82/14/971178214.db2.gz HDTCLUUZJWUGDB-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001257291541 971178218 /nfs/dbraw/zinc/17/82/18/971178218.db2.gz HDTCLUUZJWUGDB-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257323787 971220954 /nfs/dbraw/zinc/22/09/54/971220954.db2.gz GIGSLRFHDMNLNR-ZDUSSCGKSA-N 2 2 247.386 2.829 20 0 BFADLP CCCCCC[C@@H](CC)[NH2+]CC1C[NH+](C)C1 ZINC001170588250 971287761 /nfs/dbraw/zinc/28/77/61/971287761.db2.gz SOHZLSSDEBAQFX-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc3ccsc3c2)C[C@H]1[NH3+] ZINC001206070463 971311825 /nfs/dbraw/zinc/31/18/25/971311825.db2.gz LIVBNAJRCGAYEO-ZWNOBZJWSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc3ccsc3c2)C[C@H]1[NH3+] ZINC001206070463 971311831 /nfs/dbraw/zinc/31/18/31/971311831.db2.gz LIVBNAJRCGAYEO-ZWNOBZJWSA-N 2 2 246.379 2.680 20 0 BFADLP CC[C@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001257435627 971346416 /nfs/dbraw/zinc/34/64/16/971346416.db2.gz JEKOSBDJSYOVSH-NSHDSACASA-N 2 2 229.327 2.980 20 0 BFADLP CC[C@@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001257447343 971363711 /nfs/dbraw/zinc/36/37/11/971363711.db2.gz DFTRBAUENSZNQP-CYBMUJFWSA-N 2 2 247.386 2.747 20 0 BFADLP c1cn(C2CCCCC2)c([C@H]2CCC[NH2+]C2)[nH+]1 ZINC001257458984 971384066 /nfs/dbraw/zinc/38/40/66/971384066.db2.gz JYVYAAGGXCVGIE-LBPRGKRZSA-N 2 2 233.359 2.855 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716745 971636687 /nfs/dbraw/zinc/63/66/87/971636687.db2.gz WFOOQXPIHKZFCR-ZSOGYDGISA-N 2 2 238.419 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716745 971636696 /nfs/dbraw/zinc/63/66/96/971636696.db2.gz WFOOQXPIHKZFCR-ZSOGYDGISA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[NH+]1CCCCC1 ZINC000408510028 971995569 /nfs/dbraw/zinc/99/55/69/971995569.db2.gz BGZJGCWKPLMMJF-BARDWOONSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H](C)CC[C@@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246115459 972183173 /nfs/dbraw/zinc/18/31/73/972183173.db2.gz YUYPIZXOAXXXRW-SYQHCUMBSA-N 2 2 244.398 2.881 20 0 BFADLP CCC[C@@H](C)CC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246216779 972218864 /nfs/dbraw/zinc/21/88/64/972218864.db2.gz IRJDWFLTCZUTGJ-AAVRWANBSA-N 2 2 244.398 2.881 20 0 BFADLP CCc1ccc(C[N@H+](C)[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000398961976 958459175 /nfs/dbraw/zinc/45/91/75/958459175.db2.gz NRFDXARIWKCMKA-BBRMVZONSA-N 2 2 246.398 2.821 20 0 BFADLP CCc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000398961976 958459191 /nfs/dbraw/zinc/45/91/91/958459191.db2.gz NRFDXARIWKCMKA-BBRMVZONSA-N 2 2 246.398 2.821 20 0 BFADLP Cc1ccccc1C[N@@H+](C)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000399030212 958490563 /nfs/dbraw/zinc/49/05/63/958490563.db2.gz LKYDFDWZNVFJNR-ZFWWWQNUSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccccc1C[N@H+](C)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000399030212 958490569 /nfs/dbraw/zinc/49/05/69/958490569.db2.gz LKYDFDWZNVFJNR-ZFWWWQNUSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[N@@H+](C)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399027606 958492435 /nfs/dbraw/zinc/49/24/35/958492435.db2.gz KKOPJTPQQHNJSQ-ZFWWWQNUSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[N@H+](C)[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399027606 958492446 /nfs/dbraw/zinc/49/24/46/958492446.db2.gz KKOPJTPQQHNJSQ-ZFWWWQNUSA-N 2 2 232.371 2.567 20 0 BFADLP c1cn2c(cccc2-c2ccc3c(c2)C[NH2+]C3)[nH+]1 ZINC000707986245 958895577 /nfs/dbraw/zinc/89/55/77/958895577.db2.gz RPDVUNCNUGCMBN-UHFFFAOYSA-N 2 2 235.290 2.605 20 0 BFADLP C1[C@H]2CC[C@@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)C[C@@H]12 ZINC000926643199 959758620 /nfs/dbraw/zinc/75/86/20/959758620.db2.gz UKBFUERSINJJOT-DGXTUMSLSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CC[C@@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)C[C@@H]12 ZINC000926643199 959758626 /nfs/dbraw/zinc/75/86/26/959758626.db2.gz UKBFUERSINJJOT-DGXTUMSLSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)c(C)c1 ZINC001222282295 960524640 /nfs/dbraw/zinc/52/46/40/960524640.db2.gz IISFJPXOWNRTNB-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)c(C)c1 ZINC001222282295 960524649 /nfs/dbraw/zinc/52/46/49/960524649.db2.gz IISFJPXOWNRTNB-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP CCc1ccc(NCc2ccc(N)[nH+]c2C)[nH+]c1 ZINC001167785905 960874027 /nfs/dbraw/zinc/87/40/27/960874027.db2.gz GFINTIITIVDTQS-UHFFFAOYSA-N 2 2 242.326 2.542 20 0 BFADLP CC(C)[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141237616 961004380 /nfs/dbraw/zinc/00/43/80/961004380.db2.gz UVTKVYGVSDKSOA-UHFFFAOYSA-N 2 2 229.327 2.713 20 0 BFADLP CC(C)[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141237616 961004401 /nfs/dbraw/zinc/00/44/01/961004401.db2.gz UVTKVYGVSDKSOA-UHFFFAOYSA-N 2 2 229.327 2.713 20 0 BFADLP CC[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC001141238383 961017395 /nfs/dbraw/zinc/01/73/95/961017395.db2.gz LMYIDWJWXNHUSW-UHFFFAOYSA-N 2 2 241.338 2.857 20 0 BFADLP CC[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC001141238383 961017418 /nfs/dbraw/zinc/01/74/18/961017418.db2.gz LMYIDWJWXNHUSW-UHFFFAOYSA-N 2 2 241.338 2.857 20 0 BFADLP Cc1ccc(N2CC[C@@H]([N@@H+](C)C(C)C)C2)[nH+]c1C ZINC001157010466 963515210 /nfs/dbraw/zinc/51/52/10/963515210.db2.gz QDIPYFPTJZYTHF-CQSZACIVSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1ccc(N2CC[C@@H]([N@H+](C)C(C)C)C2)[nH+]c1C ZINC001157010466 963515214 /nfs/dbraw/zinc/51/52/14/963515214.db2.gz QDIPYFPTJZYTHF-CQSZACIVSA-N 2 2 247.386 2.617 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@H](C)C[NH+](C)C ZINC000713955893 963566150 /nfs/dbraw/zinc/56/61/50/963566150.db2.gz OHAMVYHXRVAEFK-OLZOCXBDSA-N 2 2 214.397 2.885 20 0 BFADLP Cc1c(F)cc[nH+]c1NCC(C)(C)C[NH+](C)C ZINC001157944527 963778922 /nfs/dbraw/zinc/77/89/22/963778922.db2.gz NFNHJXUUWUYTIX-UHFFFAOYSA-N 2 2 239.338 2.529 20 0 BFADLP CCc1[nH+]ccc(C)c1NC1=C[NH2+]CCC1 ZINC001159417397 964078738 /nfs/dbraw/zinc/07/87/38/964078738.db2.gz ZFLPREYCXDHKKW-UHFFFAOYSA-N 2 2 217.316 2.589 20 0 BFADLP CC(C)=CCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000697637041 964380590 /nfs/dbraw/zinc/38/05/90/964380590.db2.gz WWIQLQVNQBFKOE-JKSUJKDBSA-N 2 2 244.382 2.769 20 0 BFADLP CC(C)=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000697637041 964380600 /nfs/dbraw/zinc/38/06/00/964380600.db2.gz WWIQLQVNQBFKOE-JKSUJKDBSA-N 2 2 244.382 2.769 20 0 BFADLP Cc1cc(NC2C[NH+](C(C)C)C2)ccc1[NH+](C)C ZINC001168317428 964430288 /nfs/dbraw/zinc/43/02/88/964430288.db2.gz LAQSMWWWOBGURZ-UHFFFAOYSA-N 2 2 247.386 2.566 20 0 BFADLP Cc1cc2cc(NCCCC[NH+](C)C)[nH+]cc2[nH]1 ZINC001161724922 964717451 /nfs/dbraw/zinc/71/74/51/964717451.db2.gz QZSADWZABAMNHH-UHFFFAOYSA-N 2 2 246.358 2.625 20 0 BFADLP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[NH+](C)C ZINC001162405391 964966886 /nfs/dbraw/zinc/96/68/86/964966886.db2.gz UTXIRUUGCJAZKE-QWHCGFSZSA-N 2 2 247.386 2.743 20 0 BFADLP C[C@@H]1CC[C@H](C[NH3+])CN1c1cccc(C2CC2)[nH+]1 ZINC001164472913 965894900 /nfs/dbraw/zinc/89/49/00/965894900.db2.gz ASFIPEQMCOLCSJ-VXGBXAGGSA-N 2 2 245.370 2.523 20 0 BFADLP Cc1cc(C)[nH+]c(N2CC[NH+](C(C)(C)C)CC2)c1 ZINC001165089105 965959346 /nfs/dbraw/zinc/95/93/46/965959346.db2.gz WBWJFXBQCZDFMX-UHFFFAOYSA-N 2 2 247.386 2.619 20 0 BFADLP C/C=C(\NC=[NH2+])[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001165592245 966131961 /nfs/dbraw/zinc/13/19/61/966131961.db2.gz ZOEUDUDRDQPIDQ-WTDSWWLTSA-N 2 2 249.280 2.755 20 0 BFADLP Cc1ccccc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236201264 966307644 /nfs/dbraw/zinc/30/76/44/966307644.db2.gz LNVWVPASYRXAFJ-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1ccccc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236201264 966307657 /nfs/dbraw/zinc/30/76/57/966307657.db2.gz LNVWVPASYRXAFJ-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP CNc1ccc(Nc2cc(C)cc(C)[nH+]2)c[nH+]1 ZINC001203447039 966648914 /nfs/dbraw/zinc/64/89/14/966648914.db2.gz IUKCLLJKAPPUSC-UHFFFAOYSA-N 2 2 228.299 2.879 20 0 BFADLP Cc1ccccc1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001203708111 966744881 /nfs/dbraw/zinc/74/48/81/966744881.db2.gz FFFMDRMCTURSFB-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001203708111 966744886 /nfs/dbraw/zinc/74/48/86/966744886.db2.gz FFFMDRMCTURSFB-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001203708111 966744900 /nfs/dbraw/zinc/74/49/00/966744900.db2.gz FFFMDRMCTURSFB-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001203708111 966744908 /nfs/dbraw/zinc/74/49/08/966744908.db2.gz FFFMDRMCTURSFB-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001203708109 966747300 /nfs/dbraw/zinc/74/73/00/966747300.db2.gz FFFMDRMCTURSFB-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001203708109 966747307 /nfs/dbraw/zinc/74/73/07/966747307.db2.gz FFFMDRMCTURSFB-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001203708109 966747314 /nfs/dbraw/zinc/74/73/14/966747314.db2.gz FFFMDRMCTURSFB-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001203708109 966747319 /nfs/dbraw/zinc/74/73/19/966747319.db2.gz FFFMDRMCTURSFB-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)cc1 ZINC001204174973 966919960 /nfs/dbraw/zinc/91/99/60/966919960.db2.gz JKZZJIRVPOLRLP-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)cc1 ZINC001204174973 966919971 /nfs/dbraw/zinc/91/99/71/966919971.db2.gz JKZZJIRVPOLRLP-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001204174973 966919979 /nfs/dbraw/zinc/91/99/79/966919979.db2.gz JKZZJIRVPOLRLP-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)cc1 ZINC001204174973 966919992 /nfs/dbraw/zinc/91/99/92/966919992.db2.gz JKZZJIRVPOLRLP-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(-c2ccc(C[NH+](C)C)cc2)[nH+]c1N ZINC001204620742 967102389 /nfs/dbraw/zinc/10/23/89/967102389.db2.gz OZDNBWHQADYDKR-UHFFFAOYSA-N 2 2 241.338 2.701 20 0 BFADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])sc1C ZINC001204933073 967238744 /nfs/dbraw/zinc/23/87/44/967238744.db2.gz QMNLJLFNPRTIOM-GFCCVEGCSA-N 2 2 238.400 2.678 20 0 BFADLP c1cn2ccc(Nc3c[nH+]c4ccccn34)cc2[nH+]1 ZINC001204958777 967256531 /nfs/dbraw/zinc/25/65/31/967256531.db2.gz BMSWLQAWHSNRIB-UHFFFAOYSA-N 2 2 249.277 2.726 20 0 BFADLP [NH3+][C@H]1CCC[N@H+](Cc2csc(Cl)c2)CC1 ZINC001205110055 967356023 /nfs/dbraw/zinc/35/60/23/967356023.db2.gz NRVRNYCGYNHPTR-JTQLQIEISA-N 2 2 244.791 2.715 20 0 BFADLP [NH3+][C@H]1CCC[N@@H+](Cc2csc(Cl)c2)CC1 ZINC001205110055 967356026 /nfs/dbraw/zinc/35/60/26/967356026.db2.gz NRVRNYCGYNHPTR-JTQLQIEISA-N 2 2 244.791 2.715 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCCC[C@H]1c1ccccc1 ZINC001205171447 967410493 /nfs/dbraw/zinc/41/04/93/967410493.db2.gz QZJYLIVHTQGEPI-HNNXBMFYSA-N 2 2 232.371 2.823 20 0 BFADLP CC[NH2+]CC[N@H+]1CCCC[C@H]1c1ccccc1 ZINC001205171447 967410496 /nfs/dbraw/zinc/41/04/96/967410496.db2.gz QZJYLIVHTQGEPI-HNNXBMFYSA-N 2 2 232.371 2.823 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cccc3sccc32)C[C@H]1[NH3+] ZINC001206070875 968039313 /nfs/dbraw/zinc/03/93/13/968039313.db2.gz VSVFOVJXRVVCBX-ZWNOBZJWSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cccc3sccc32)C[C@H]1[NH3+] ZINC001206070875 968039325 /nfs/dbraw/zinc/03/93/25/968039325.db2.gz VSVFOVJXRVVCBX-ZWNOBZJWSA-N 2 2 246.379 2.680 20 0 BFADLP Cc1cccc2c1C[N@H+](CC[C@@H]1CCCC[NH2+]1)C2 ZINC001206081149 968046790 /nfs/dbraw/zinc/04/67/90/968046790.db2.gz KBYGZVUQONABLX-HNNXBMFYSA-N 2 2 244.382 2.843 20 0 BFADLP Cc1cccc2c1C[N@@H+](CC[C@@H]1CCCC[NH2+]1)C2 ZINC001206081149 968046795 /nfs/dbraw/zinc/04/67/95/968046795.db2.gz KBYGZVUQONABLX-HNNXBMFYSA-N 2 2 244.382 2.843 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)n1C ZINC001206794088 968477980 /nfs/dbraw/zinc/47/79/80/968477980.db2.gz IZYPQDOUOOCQER-KGLIPLIRSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)n1C ZINC001206794088 968477985 /nfs/dbraw/zinc/47/79/85/968477985.db2.gz IZYPQDOUOOCQER-KGLIPLIRSA-N 2 2 247.386 2.741 20 0 BFADLP CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000820735753 968481244 /nfs/dbraw/zinc/48/12/44/968481244.db2.gz VBAAEGTUFFNIJP-OLZOCXBDSA-N 2 2 235.375 2.688 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ncccc1C ZINC001207858650 968904902 /nfs/dbraw/zinc/90/49/02/968904902.db2.gz YIVYHXMBAQPFLA-AWEZNQCLSA-N 2 2 249.402 2.600 20 0 BFADLP [NH3+]CCCCCCC[N@@H+]1CCCC(F)(F)C1 ZINC000405043763 968950975 /nfs/dbraw/zinc/95/09/75/968950975.db2.gz YBGIJXPRLFRIIM-UHFFFAOYSA-N 2 2 234.334 2.627 20 0 BFADLP [NH3+]CCCCCCC[N@H+]1CCCC(F)(F)C1 ZINC000405043763 968950989 /nfs/dbraw/zinc/95/09/89/968950989.db2.gz YBGIJXPRLFRIIM-UHFFFAOYSA-N 2 2 234.334 2.627 20 0 BFADLP CC/C=C\CCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001208136035 969040723 /nfs/dbraw/zinc/04/07/23/969040723.db2.gz OYUQSMMENUWCTE-ABCZVMIZSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C\CCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001208136035 969040734 /nfs/dbraw/zinc/04/07/34/969040734.db2.gz OYUQSMMENUWCTE-ABCZVMIZSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C\CCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001208136035 969040745 /nfs/dbraw/zinc/04/07/45/969040745.db2.gz OYUQSMMENUWCTE-ABCZVMIZSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C\CCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001208136035 969040756 /nfs/dbraw/zinc/04/07/56/969040756.db2.gz OYUQSMMENUWCTE-ABCZVMIZSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C\CCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208138667 969049144 /nfs/dbraw/zinc/04/91/44/969049144.db2.gz QUJMPERNHRATMB-ZYDHHDLOSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208138667 969049153 /nfs/dbraw/zinc/04/91/53/969049153.db2.gz QUJMPERNHRATMB-ZYDHHDLOSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001208138667 969049159 /nfs/dbraw/zinc/04/91/59/969049159.db2.gz QUJMPERNHRATMB-ZYDHHDLOSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001208138667 969049164 /nfs/dbraw/zinc/04/91/64/969049164.db2.gz QUJMPERNHRATMB-ZYDHHDLOSA-N 2 2 236.403 2.759 20 0 BFADLP C[NH+](C)CC1(C[N@@H+]2CCC[C@@H](F)C2)CCCC1 ZINC001208192636 969122462 /nfs/dbraw/zinc/12/24/62/969122462.db2.gz WLRCDCUHFOFKDY-CYBMUJFWSA-N 2 2 242.382 2.542 20 0 BFADLP C[NH+](C)CC1(C[N@H+]2CCC[C@@H](F)C2)CCCC1 ZINC001208192636 969122470 /nfs/dbraw/zinc/12/24/70/969122470.db2.gz WLRCDCUHFOFKDY-CYBMUJFWSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1C[C@@H]1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209418673 969483204 /nfs/dbraw/zinc/48/32/04/969483204.db2.gz RTAQHGRQNXQRJU-QWHCGFSZSA-N 2 2 246.354 2.581 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209418670 969484318 /nfs/dbraw/zinc/48/43/18/969484318.db2.gz RTAQHGRQNXQRJU-CHWSQXEVSA-N 2 2 246.354 2.581 20 0 BFADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)cn2)CC1 ZINC001169231349 969507895 /nfs/dbraw/zinc/50/78/95/969507895.db2.gz ZXRDTLRZEHUDLK-ZDUSSCGKSA-N 2 2 247.386 2.525 20 0 BFADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)cn2)CC1 ZINC001169231348 969511019 /nfs/dbraw/zinc/51/10/19/969511019.db2.gz ZXRDTLRZEHUDLK-CYBMUJFWSA-N 2 2 247.386 2.525 20 0 BFADLP CC[NH+]1CCC([NH+]2CC(c3ccccc3)C2)CC1 ZINC001169264121 969520120 /nfs/dbraw/zinc/52/01/20/969520120.db2.gz GAISLOVFFFSJBI-UHFFFAOYSA-N 2 2 244.382 2.570 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001169249348 969538551 /nfs/dbraw/zinc/53/85/51/969538551.db2.gz HIRFPXMJHCEPCK-UONOGXRCSA-N 2 2 236.403 2.593 20 0 BFADLP CC[NH+]1CCC([N@H+]2CC[C@@H]3CCC[C@@H]3C2)CC1 ZINC001169249348 969538566 /nfs/dbraw/zinc/53/85/66/969538566.db2.gz HIRFPXMJHCEPCK-UONOGXRCSA-N 2 2 236.403 2.593 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001169249347 969540530 /nfs/dbraw/zinc/54/05/30/969540530.db2.gz HIRFPXMJHCEPCK-KGLIPLIRSA-N 2 2 236.403 2.593 20 0 BFADLP CC[NH+]1CCC([N@H+]2CC[C@H]3CCC[C@H]3C2)CC1 ZINC001169249347 969540532 /nfs/dbraw/zinc/54/05/32/969540532.db2.gz HIRFPXMJHCEPCK-KGLIPLIRSA-N 2 2 236.403 2.593 20 0 BFADLP CC[N@H+](Cc1c[nH+]ccc1N)C1CCCCC1 ZINC001209729012 969584466 /nfs/dbraw/zinc/58/44/66/969584466.db2.gz ZESUMPQUHFKTRQ-UHFFFAOYSA-N 2 2 233.359 2.649 20 0 BFADLP CC[N@@H+](Cc1c[nH+]ccc1N)C1CCCCC1 ZINC001209729012 969584472 /nfs/dbraw/zinc/58/44/72/969584472.db2.gz ZESUMPQUHFKTRQ-UHFFFAOYSA-N 2 2 233.359 2.649 20 0 BFADLP CC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCCCC1 ZINC001254833436 969796074 /nfs/dbraw/zinc/79/60/74/969796074.db2.gz PNFRUVPDSDRLOV-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)c1ccccc1 ZINC001254836137 969799785 /nfs/dbraw/zinc/79/97/85/969799785.db2.gz JWHAMVFKYHLTGY-CZUORRHYSA-N 2 2 244.382 2.822 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254841538 969800654 /nfs/dbraw/zinc/80/06/54/969800654.db2.gz YAXZRODSSBSAJN-QEJZJMRPSA-N 2 2 236.403 2.639 20 0 BFADLP CCCC1([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCC1 ZINC001254845749 969802958 /nfs/dbraw/zinc/80/29/58/969802958.db2.gz RIWMGDFIIFSSKX-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1[nH+]cn(C2CCC(C)(C)CC2)c1CC[NH3+] ZINC001255297155 970057764 /nfs/dbraw/zinc/05/77/64/970057764.db2.gz BSFLKHMUHPRXTA-UHFFFAOYSA-N 2 2 235.375 2.834 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001255319281 970091551 /nfs/dbraw/zinc/09/15/51/970091551.db2.gz HIXBNNCQQYKIGJ-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001255319281 970091560 /nfs/dbraw/zinc/09/15/60/970091560.db2.gz HIXBNNCQQYKIGJ-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP C[NH2+]Cc1ccc(Nc2[nH+]cc(O)cc2C)cc1 ZINC001211127756 970156654 /nfs/dbraw/zinc/15/66/54/970156654.db2.gz XMPKKKHODRKTOJ-UHFFFAOYSA-N 2 2 243.310 2.559 20 0 BFADLP CCc1cc(Nc2c[nH+]c(C)cc2C)cc[nH+]1 ZINC001213510381 970333555 /nfs/dbraw/zinc/33/35/55/970333555.db2.gz AHLWIFJOVZWEET-UHFFFAOYSA-N 2 2 227.311 2.821 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001170118626 970339222 /nfs/dbraw/zinc/33/92/22/970339222.db2.gz SZGZHCSICKPUSE-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001170118626 970339232 /nfs/dbraw/zinc/33/92/32/970339232.db2.gz SZGZHCSICKPUSE-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1c[nH+]cc(Nc2c[nH+]ccc2N(C)C)c1C ZINC001213522908 970348773 /nfs/dbraw/zinc/34/87/73/970348773.db2.gz JILHZBOHJMQHRQ-UHFFFAOYSA-N 2 2 242.326 2.903 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001170123540 970363571 /nfs/dbraw/zinc/36/35/71/970363571.db2.gz CPNBYDQKZULYIM-WCQYABFASA-N 2 2 229.327 2.613 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H](C)CC(F)(F)F ZINC001255660666 970444321 /nfs/dbraw/zinc/44/43/21/970444321.db2.gz KCITWJIRORFAQS-JTQLQIEISA-N 2 2 249.280 2.546 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H](C)CC(F)(F)F ZINC001255660666 970444329 /nfs/dbraw/zinc/44/43/29/970444329.db2.gz KCITWJIRORFAQS-JTQLQIEISA-N 2 2 249.280 2.546 20 0 BFADLP Cc1ccc(C[C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC001255773468 970478159 /nfs/dbraw/zinc/47/81/59/970478159.db2.gz YINWUYSEHBCUMZ-HNNXBMFYSA-N 2 2 246.398 2.611 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@H](C)c1ccccn1 ZINC001255940807 970569518 /nfs/dbraw/zinc/56/95/18/970569518.db2.gz GVSAZHSVMUUOHX-ZIAGYGMSSA-N 2 2 249.402 2.853 20 0 BFADLP C[C@@H]1CCCCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256077637 970650758 /nfs/dbraw/zinc/65/07/58/970650758.db2.gz QJBSKPNQNSFAJJ-CYBMUJFWSA-N 2 2 236.403 2.878 20 0 BFADLP C[C@@H]1CCCCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256077637 970650765 /nfs/dbraw/zinc/65/07/65/970650765.db2.gz QJBSKPNQNSFAJJ-CYBMUJFWSA-N 2 2 236.403 2.878 20 0 BFADLP CC[C@H]1CCCC[C@@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000401320955 970682925 /nfs/dbraw/zinc/68/29/25/970682925.db2.gz ACVGFNCMXRIUMO-UONOGXRCSA-N 2 2 235.375 2.689 20 0 BFADLP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ncccc1C ZINC001256195318 970689645 /nfs/dbraw/zinc/68/96/45/970689645.db2.gz LPTUETBWKMKYPG-AWEZNQCLSA-N 2 2 247.386 2.525 20 0 BFADLP C[C@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256202575 970702629 /nfs/dbraw/zinc/70/26/29/970702629.db2.gz HFHRIDPVPYQGGZ-ZDUSSCGKSA-N 2 2 244.382 2.700 20 0 BFADLP C[C@H]1c2ccccc2CC[N@H+]1C1CC[NH+](C)CC1 ZINC001256202575 970702637 /nfs/dbraw/zinc/70/26/37/970702637.db2.gz HFHRIDPVPYQGGZ-ZDUSSCGKSA-N 2 2 244.382 2.700 20 0 BFADLP C[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001256208025 970709146 /nfs/dbraw/zinc/70/91/46/970709146.db2.gz UWIRVOYMQSSUQP-MRXNPFEDSA-N 2 2 244.382 2.918 20 0 BFADLP C[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC001256208025 970709157 /nfs/dbraw/zinc/70/91/57/970709157.db2.gz UWIRVOYMQSSUQP-MRXNPFEDSA-N 2 2 244.382 2.918 20 0 BFADLP C[NH+]1CCC([N@@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001256209233 970712270 /nfs/dbraw/zinc/71/22/70/970712270.db2.gz UJLLFRXHXOLEQT-OAHLLOKOSA-N 2 2 230.355 2.528 20 0 BFADLP C[NH+]1CCC([N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001256209233 970712285 /nfs/dbraw/zinc/71/22/85/970712285.db2.gz UJLLFRXHXOLEQT-OAHLLOKOSA-N 2 2 230.355 2.528 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655403 973071770 /nfs/dbraw/zinc/07/17/70/973071770.db2.gz LEIQIQIPLAXHOL-ZQDZILKHSA-N 2 2 238.419 2.870 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655403 973071782 /nfs/dbraw/zinc/07/17/82/973071782.db2.gz LEIQIQIPLAXHOL-ZQDZILKHSA-N 2 2 238.419 2.870 20 0 BFADLP Cc1cc(NC[C@H]2CCCC[NH2+]2)ccc1[NH+](C)C ZINC001171334844 973868426 /nfs/dbraw/zinc/86/84/26/973868426.db2.gz KEEYCUYAYFUVEI-CQSZACIVSA-N 2 2 247.386 2.615 20 0 BFADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001172367028 974646424 /nfs/dbraw/zinc/64/64/24/974646424.db2.gz FDRPDGZFPFVLEL-TUVASFSCSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC001172367028 974646428 /nfs/dbraw/zinc/64/64/28/974646428.db2.gz FDRPDGZFPFVLEL-TUVASFSCSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C[C@H]1C ZINC001172371160 974651696 /nfs/dbraw/zinc/65/16/96/974651696.db2.gz XIMMJSLPFLFJRD-MCIONIFRSA-N 2 2 248.370 2.875 20 0 BFADLP Cc1coc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC001331553965 974761207 /nfs/dbraw/zinc/76/12/07/974761207.db2.gz QZZGMRHWBVCACP-OLZOCXBDSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC001331553965 974761212 /nfs/dbraw/zinc/76/12/12/974761212.db2.gz QZZGMRHWBVCACP-OLZOCXBDSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC001331553965 974761215 /nfs/dbraw/zinc/76/12/15/974761215.db2.gz QZZGMRHWBVCACP-OLZOCXBDSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC001331553965 974761220 /nfs/dbraw/zinc/76/12/20/974761220.db2.gz QZZGMRHWBVCACP-OLZOCXBDSA-N 2 2 236.359 2.503 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001173271831 975147826 /nfs/dbraw/zinc/14/78/26/975147826.db2.gz IIYUIEULRXWASW-CFVMTHIKSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001173271831 975147829 /nfs/dbraw/zinc/14/78/29/975147829.db2.gz IIYUIEULRXWASW-CFVMTHIKSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001173273627 975151935 /nfs/dbraw/zinc/15/19/35/975151935.db2.gz OIZVDMAUYWSFDO-MJBXVCDLSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001173273627 975151945 /nfs/dbraw/zinc/15/19/45/975151945.db2.gz OIZVDMAUYWSFDO-MJBXVCDLSA-N 2 2 236.403 2.782 20 0 BFADLP CCSC[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC001173292687 975168294 /nfs/dbraw/zinc/16/82/94/975168294.db2.gz PQHBRBSEKIOMAV-CYBMUJFWSA-N 2 2 244.448 2.594 20 0 BFADLP CC[C@@H]1CC[C@@H]([N@@H+]2CCn3c(C)[nH+]cc3C2)C1 ZINC001173279141 975235778 /nfs/dbraw/zinc/23/57/78/975235778.db2.gz GYTGNEHLGQWHKJ-CHWSQXEVSA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@@H]1CC[C@@H]([N@H+]2CCn3c(C)[nH+]cc3C2)C1 ZINC001173279141 975235784 /nfs/dbraw/zinc/23/57/84/975235784.db2.gz GYTGNEHLGQWHKJ-CHWSQXEVSA-N 2 2 233.359 2.586 20 0 BFADLP Cc1cc[nH+]c(C)c1OC1CC[NH+](C2CC2)CC1 ZINC001227263083 975338679 /nfs/dbraw/zinc/33/86/79/975338679.db2.gz BWQMBWWDJJLFIN-UHFFFAOYSA-N 2 2 246.354 2.704 20 0 BFADLP CCOc1cc(Nc2cc[nH+]cc2C)cc(C)[nH+]1 ZINC001174536847 976820336 /nfs/dbraw/zinc/82/03/36/976820336.db2.gz XGPCYWCWRUNHRR-UHFFFAOYSA-N 2 2 243.310 2.658 20 0 BFADLP CCc1ccc(C)[nH+]c1Nc1cc[nH+]c(C)c1 ZINC001174653380 976937556 /nfs/dbraw/zinc/93/75/56/976937556.db2.gz RHTIAVSHRQOGDM-UHFFFAOYSA-N 2 2 227.311 2.821 20 0 BFADLP Cc1cc(Nc2c(C)cc[nH+]c2C)cc[nH+]1 ZINC001174654232 976943777 /nfs/dbraw/zinc/94/37/77/976943777.db2.gz XLEJWRONHAFQOM-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP CSc1cc(Nc2cc(C)[nH+]c(C)c2)cc[nH+]1 ZINC001176052325 977900228 /nfs/dbraw/zinc/90/02/28/977900228.db2.gz PAJWSSNCAVEKGO-UHFFFAOYSA-N 2 2 245.351 2.981 20 0 BFADLP CC1(C)CCC[C@H](C[NH2+]CCn2cc[nH+]c2)C1 ZINC001177081839 978276245 /nfs/dbraw/zinc/27/62/45/978276245.db2.gz SBHLIQLEIGVKCE-ZDUSSCGKSA-N 2 2 235.375 2.689 20 0 BFADLP C[NH2+][C@@]12CC[C@@](Nc3cccc[nH+]3)(C1)CCC2 ZINC001277752625 978421494 /nfs/dbraw/zinc/42/14/94/978421494.db2.gz KFEYPPBSFHHMJT-UONOGXRCSA-N 2 2 231.343 2.558 20 0 BFADLP COc1cccc([C@H]2CCCC[N@@H+]2C[C@H](C)[NH3+])c1 ZINC001235725161 979132990 /nfs/dbraw/zinc/13/29/90/979132990.db2.gz IAZYNDOUNMVZIV-SWLSCSKDSA-N 2 2 248.370 2.569 20 0 BFADLP COc1cccc([C@H]2CCCC[N@H+]2C[C@H](C)[NH3+])c1 ZINC001235725161 979132996 /nfs/dbraw/zinc/13/29/96/979132996.db2.gz IAZYNDOUNMVZIV-SWLSCSKDSA-N 2 2 248.370 2.569 20 0 BFADLP CCCCc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235726219 979135488 /nfs/dbraw/zinc/13/54/88/979135488.db2.gz UTMJTABCKBPTJT-INIZCTEOSA-N 2 2 246.398 2.952 20 0 BFADLP CCCCc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235726219 979135500 /nfs/dbraw/zinc/13/55/00/979135500.db2.gz UTMJTABCKBPTJT-INIZCTEOSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1c(Cl)cccc1C[N@@H+](CC[NH3+])C(C)C ZINC001235947300 979218255 /nfs/dbraw/zinc/21/82/55/979218255.db2.gz JBJGATCJXNBWPX-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1c(Cl)cccc1C[N@H+](CC[NH3+])C(C)C ZINC001235947300 979218269 /nfs/dbraw/zinc/21/82/69/979218269.db2.gz JBJGATCJXNBWPX-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP CC[C@@H]([NH3+])C[N@H+](CC)Cc1ccc(Cl)cc1 ZINC001235961377 979234067 /nfs/dbraw/zinc/23/40/67/979234067.db2.gz BPQBISRTTRDECG-CYBMUJFWSA-N 2 2 240.778 2.899 20 0 BFADLP CC[C@@H]([NH3+])C[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC001235961377 979234081 /nfs/dbraw/zinc/23/40/81/979234081.db2.gz BPQBISRTTRDECG-CYBMUJFWSA-N 2 2 240.778 2.899 20 0 BFADLP CC[N@H+](Cc1cc(C)cs1)[C@H]1CCC[NH2+]C1 ZINC001236005668 979293584 /nfs/dbraw/zinc/29/35/84/979293584.db2.gz LOHPSQABMIYWAH-LBPRGKRZSA-N 2 2 238.400 2.630 20 0 BFADLP CC[N@@H+](Cc1cc(C)cs1)[C@H]1CCC[NH2+]C1 ZINC001236005668 979293587 /nfs/dbraw/zinc/29/35/87/979293587.db2.gz LOHPSQABMIYWAH-LBPRGKRZSA-N 2 2 238.400 2.630 20 0 BFADLP CCCCc1ccc(C[N@@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236022704 979317972 /nfs/dbraw/zinc/31/79/72/979317972.db2.gz ASMIJJISGZITHM-HZPDHXFCSA-N 2 2 244.382 2.562 20 0 BFADLP CCCCc1ccc(C[N@H+]2C[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001236022704 979317982 /nfs/dbraw/zinc/31/79/82/979317982.db2.gz ASMIJJISGZITHM-HZPDHXFCSA-N 2 2 244.382 2.562 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236049192 979343389 /nfs/dbraw/zinc/34/33/89/979343389.db2.gz PGYGMTBKBREWGN-BBRMVZONSA-N 2 2 246.398 2.808 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236049192 979343405 /nfs/dbraw/zinc/34/34/05/979343405.db2.gz PGYGMTBKBREWGN-BBRMVZONSA-N 2 2 246.398 2.808 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccc(C)c(Cl)c1C ZINC001236143467 979410511 /nfs/dbraw/zinc/41/05/11/979410511.db2.gz GLIZRLYRXGIMHX-UHFFFAOYSA-N 2 2 240.778 2.737 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccc(C)c(Cl)c1C ZINC001236143467 979410523 /nfs/dbraw/zinc/41/05/23/979410523.db2.gz GLIZRLYRXGIMHX-UHFFFAOYSA-N 2 2 240.778 2.737 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1c(C)sc2ccccc21 ZINC001236143095 979410935 /nfs/dbraw/zinc/41/09/35/979410935.db2.gz FEBHPZCOOLBTEH-UHFFFAOYSA-N 2 2 248.395 2.990 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1c(C)sc2ccccc21 ZINC001236143095 979410948 /nfs/dbraw/zinc/41/09/48/979410948.db2.gz FEBHPZCOOLBTEH-UHFFFAOYSA-N 2 2 248.395 2.990 20 0 BFADLP C[NH2+]CC[N@@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236189865 979443274 /nfs/dbraw/zinc/44/32/74/979443274.db2.gz QDRKMIPACJSIRI-HNNXBMFYSA-N 2 2 243.354 2.524 20 0 BFADLP C[NH2+]CC[N@H+]1CCC[C@H]1c1c[nH]c2ccccc21 ZINC001236189865 979443278 /nfs/dbraw/zinc/44/32/78/979443278.db2.gz QDRKMIPACJSIRI-HNNXBMFYSA-N 2 2 243.354 2.524 20 0 BFADLP Cc1ccc(C)c(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236200562 979446124 /nfs/dbraw/zinc/44/61/24/979446124.db2.gz HZAOLTHBILTOQK-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(C)c(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236200562 979446132 /nfs/dbraw/zinc/44/61/32/979446132.db2.gz HZAOLTHBILTOQK-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(Nc2cc[nH+]c3c2CCC3)c(C)[nH+]1 ZINC001203370898 979482326 /nfs/dbraw/zinc/48/23/26/979482326.db2.gz ZXOFEFODMKVRJV-UHFFFAOYSA-N 2 2 239.322 2.748 20 0 BFADLP CC(C)([NH3+])c1ccc(-c2ccc(N)[nH+]c2)cc1 ZINC001236314839 979524060 /nfs/dbraw/zinc/52/40/60/979524060.db2.gz BOXNTLMGAWMTRR-UHFFFAOYSA-N 2 2 227.311 2.525 20 0 BFADLP CCCc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236868445 979772907 /nfs/dbraw/zinc/77/29/07/979772907.db2.gz CNMMMCNIWDTYGQ-HNNXBMFYSA-N 2 2 234.387 2.808 20 0 BFADLP CCCc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)cc1 ZINC001236868445 979772921 /nfs/dbraw/zinc/77/29/21/979772921.db2.gz CNMMMCNIWDTYGQ-HNNXBMFYSA-N 2 2 234.387 2.808 20 0 BFADLP c1cn2cc(-c3cccc4c[nH+]cn43)ccc2[nH+]1 ZINC001240218800 981171654 /nfs/dbraw/zinc/17/16/54/981171654.db2.gz ZXWLSWUTEBSYNH-UHFFFAOYSA-N 2 2 234.262 2.649 20 0 BFADLP c1cn2c(cccc2-c2ccc3c(c2)CC[NH2+]C3)[nH+]1 ZINC001240455735 981393022 /nfs/dbraw/zinc/39/30/22/981393022.db2.gz GBTHHUXMDRENJR-UHFFFAOYSA-N 2 2 249.317 2.647 20 0 BFADLP Fc1cccc([C@@H]2CC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001350358170 981939156 /nfs/dbraw/zinc/93/91/56/981939156.db2.gz KEJIEBDWQUPPFB-WFASDCNBSA-N 2 2 248.345 2.572 20 0 BFADLP Fc1cccc([C@@H]2CC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001350358170 981939162 /nfs/dbraw/zinc/93/91/62/981939162.db2.gz KEJIEBDWQUPPFB-WFASDCNBSA-N 2 2 248.345 2.572 20 0 BFADLP CC(C)([NH3+])c1cccc(-c2cc[nH+]c(N)c2)c1 ZINC001241170416 982319451 /nfs/dbraw/zinc/31/94/51/982319451.db2.gz MQSRMGJITWJLNN-UHFFFAOYSA-N 2 2 227.311 2.525 20 0 BFADLP C[N@H+]1CC=C(c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001241320255 982481440 /nfs/dbraw/zinc/48/14/40/982481440.db2.gz YZSVPAGFDATUBN-UHFFFAOYSA-N 2 2 239.322 2.591 20 0 BFADLP C[N@@H+]1CC=C(c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC001241320255 982481446 /nfs/dbraw/zinc/48/14/46/982481446.db2.gz YZSVPAGFDATUBN-UHFFFAOYSA-N 2 2 239.322 2.591 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])s1 ZINC001205804289 982564062 /nfs/dbraw/zinc/56/40/62/982564062.db2.gz MNRVGLFQSJSTIH-JQWIXIFHSA-N 2 2 238.400 2.616 20 0 BFADLP C[N@H+](C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001203314926 982670218 /nfs/dbraw/zinc/67/02/18/982670218.db2.gz PUXHMVXFDLRZPC-UHFFFAOYSA-N 2 2 244.382 2.745 20 0 BFADLP C[N@@H+](C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC001203314926 982670225 /nfs/dbraw/zinc/67/02/25/982670225.db2.gz PUXHMVXFDLRZPC-UHFFFAOYSA-N 2 2 244.382 2.745 20 0 BFADLP CC(C)[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001203315082 982673142 /nfs/dbraw/zinc/67/31/42/982673142.db2.gz LFPKBCHCSUALLT-UHFFFAOYSA-N 2 2 246.398 2.991 20 0 BFADLP CC(C)[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001203315082 982673148 /nfs/dbraw/zinc/67/31/48/982673148.db2.gz LFPKBCHCSUALLT-UHFFFAOYSA-N 2 2 246.398 2.991 20 0 BFADLP CCc1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]c1 ZINC001354119639 983162037 /nfs/dbraw/zinc/16/20/37/983162037.db2.gz JHFDANHRJYMYPH-AAEUAGOBSA-N 2 2 233.359 2.539 20 0 BFADLP CCc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]c1 ZINC001354119639 983162041 /nfs/dbraw/zinc/16/20/41/983162041.db2.gz JHFDANHRJYMYPH-AAEUAGOBSA-N 2 2 233.359 2.539 20 0 BFADLP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCCCC3)C[C@@H]21 ZINC001201401630 983201559 /nfs/dbraw/zinc/20/15/59/983201559.db2.gz NUKKAUHVOZSHRG-GJZGRUSLSA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@H]2C[NH+](CC3CCCCC3)C[C@@H]21 ZINC001201401630 983201567 /nfs/dbraw/zinc/20/15/67/983201567.db2.gz NUKKAUHVOZSHRG-GJZGRUSLSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@H+](CC3CCCCC3)C[C@@H]21 ZINC001201401630 983201577 /nfs/dbraw/zinc/20/15/77/983201577.db2.gz NUKKAUHVOZSHRG-GJZGRUSLSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCCCC3)C[C@@H]21 ZINC001201401630 983201583 /nfs/dbraw/zinc/20/15/83/983201583.db2.gz NUKKAUHVOZSHRG-GJZGRUSLSA-N 2 2 236.403 2.593 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)C[C@@H]1CC=CCC1 ZINC001201428007 983230515 /nfs/dbraw/zinc/23/05/15/983230515.db2.gz PFVABQWILCTDIM-CQSZACIVSA-N 2 2 233.359 2.561 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@@H]1CC=CCC1 ZINC001201428007 983230521 /nfs/dbraw/zinc/23/05/21/983230521.db2.gz PFVABQWILCTDIM-CQSZACIVSA-N 2 2 233.359 2.561 20 0 BFADLP Cc1[nH+]ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC001242027017 983239168 /nfs/dbraw/zinc/23/91/68/983239168.db2.gz WVAXZXWTQCMRRM-OLZOCXBDSA-N 2 2 214.312 2.606 20 0 BFADLP CC(C)CC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201629947 983359760 /nfs/dbraw/zinc/35/97/60/983359760.db2.gz FMIQAYXEVOLRSM-UHFFFAOYSA-N 2 2 226.408 2.837 20 0 BFADLP CC(C)CC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201629947 983359766 /nfs/dbraw/zinc/35/97/66/983359766.db2.gz FMIQAYXEVOLRSM-UHFFFAOYSA-N 2 2 226.408 2.837 20 0 BFADLP Cc1ccccc1C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC001200837764 983393988 /nfs/dbraw/zinc/39/39/88/983393988.db2.gz GHXIBTQRTMFNCK-AWEZNQCLSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1ccccc1C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC001200837764 983393996 /nfs/dbraw/zinc/39/39/96/983393996.db2.gz GHXIBTQRTMFNCK-AWEZNQCLSA-N 2 2 232.371 2.569 20 0 BFADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccco3)C2)C1 ZINC001275235445 984525910 /nfs/dbraw/zinc/52/59/10/984525910.db2.gz WVXAMBYPXDYMBT-HNNXBMFYSA-N 2 2 248.370 2.587 20 0 BFADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccco3)C2)C1 ZINC001275235445 984525894 /nfs/dbraw/zinc/52/58/94/984525894.db2.gz WVXAMBYPXDYMBT-HNNXBMFYSA-N 2 2 248.370 2.587 20 0 BFADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccco3)C2)C1 ZINC001275235445 984525902 /nfs/dbraw/zinc/52/59/02/984525902.db2.gz WVXAMBYPXDYMBT-HNNXBMFYSA-N 2 2 248.370 2.587 20 0 BFADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccco3)C2)C1 ZINC001275235445 984525919 /nfs/dbraw/zinc/52/59/19/984525919.db2.gz WVXAMBYPXDYMBT-HNNXBMFYSA-N 2 2 248.370 2.587 20 0 BFADLP CC[NH+](CC)Cc1ccccc1-c1c[nH+]cn1C ZINC001243334734 984827380 /nfs/dbraw/zinc/82/73/80/984827380.db2.gz DYRSUXPCIYQGPI-UHFFFAOYSA-N 2 2 243.354 2.929 20 0 BFADLP CCC[C@@H](CC)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001257261068 984861101 /nfs/dbraw/zinc/86/11/01/984861101.db2.gz FTOCCXIHMSQWGZ-CYBMUJFWSA-N 2 2 226.408 2.981 20 0 BFADLP CCC[C@@H](CC)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001257261068 984861103 /nfs/dbraw/zinc/86/11/03/984861103.db2.gz FTOCCXIHMSQWGZ-CYBMUJFWSA-N 2 2 226.408 2.981 20 0 BFADLP CCC[C@@H](C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001257326228 984896044 /nfs/dbraw/zinc/89/60/44/984896044.db2.gz UHSOCLMUUMIFPR-NEPJUHHUSA-N 2 2 221.348 2.711 20 0 BFADLP CC(C)([NH3+])c1ccccc1-c1ccc[nH+]c1N ZINC001243477167 985040480 /nfs/dbraw/zinc/04/04/80/985040480.db2.gz KRUSUWNJYURTQA-UHFFFAOYSA-N 2 2 227.311 2.525 20 0 BFADLP CCCC1CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001258528008 985965006 /nfs/dbraw/zinc/96/50/06/985965006.db2.gz BUXDDIYSRFHZCO-UHFFFAOYSA-N 2 2 235.375 2.916 20 0 BFADLP CCC[C@@H](C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001460966167 985970243 /nfs/dbraw/zinc/97/02/43/985970243.db2.gz RBIRSYLXZJZMAH-GFCCVEGCSA-N 2 2 235.375 2.788 20 0 BFADLP CC[C@H]1CCC[C@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC001461666845 986102773 /nfs/dbraw/zinc/10/27/73/986102773.db2.gz IAJURDWBFWGMKW-KKUMJFAQSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]1CCC[C@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC001461666845 986102811 /nfs/dbraw/zinc/10/28/11/986102811.db2.gz IAJURDWBFWGMKW-KKUMJFAQSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H](C)C[C@H](CC)n1cc[nH+]c1CC[NH3+] ZINC001258781218 986184790 /nfs/dbraw/zinc/18/47/90/986184790.db2.gz VPBSRFCYVZNIMG-NEPJUHHUSA-N 2 2 223.364 2.772 20 0 BFADLP CC(C)[N@H+](CC1CCC1)C1CC[NH+](C)CC1 ZINC001202792988 986310138 /nfs/dbraw/zinc/31/01/38/986310138.db2.gz QFULJGGHWLGWOR-UHFFFAOYSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[N@@H+](CC1CCC1)C1CC[NH+](C)CC1 ZINC001202792988 986310145 /nfs/dbraw/zinc/31/01/45/986310145.db2.gz QFULJGGHWLGWOR-UHFFFAOYSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CC=CCC2)C1 ZINC001462503855 986407746 /nfs/dbraw/zinc/40/77/46/986407746.db2.gz NBCUTXMAVKTAQD-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]CC[C@H]2CC=CCC2)C1 ZINC001462503855 986407753 /nfs/dbraw/zinc/40/77/53/986407753.db2.gz NBCUTXMAVKTAQD-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP CNc1cc(-c2cccc([C@@H](C)[NH3+])c2)cc[nH+]1 ZINC001244975174 986563413 /nfs/dbraw/zinc/56/34/13/986563413.db2.gz CUWGMUOBUQRXPY-SNVBAGLBSA-N 2 2 227.311 2.810 20 0 BFADLP CNc1cc(-c2ccccc2C(C)(C)[NH3+])cc[nH+]1 ZINC001244976661 986563526 /nfs/dbraw/zinc/56/35/26/986563526.db2.gz NNLCLVVBAFSRCJ-UHFFFAOYSA-N 2 2 241.338 2.984 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC4(CC4)CC3)C[C@@H]21 ZINC001254449850 986640742 /nfs/dbraw/zinc/64/07/42/986640742.db2.gz XKRASPLHLNQFGY-HIFRSBDPSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC4(CC4)CC3)C[C@@H]21 ZINC001254449850 986640751 /nfs/dbraw/zinc/64/07/51/986640751.db2.gz XKRASPLHLNQFGY-HIFRSBDPSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC4(CC4)CC3)C[C@@H]21 ZINC001254449850 986640757 /nfs/dbraw/zinc/64/07/57/986640757.db2.gz XKRASPLHLNQFGY-HIFRSBDPSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC4(CC4)CC3)C[C@@H]21 ZINC001254449850 986640763 /nfs/dbraw/zinc/64/07/63/986640763.db2.gz XKRASPLHLNQFGY-HIFRSBDPSA-N 2 2 248.414 2.735 20 0 BFADLP Cc1cc(-c2ccc3c(c2)[C@H]([NH3+])CC3)c[nH+]c1N ZINC001245541732 986930940 /nfs/dbraw/zinc/93/09/40/986930940.db2.gz XMZMJYNAWNQPEP-CQSZACIVSA-N 2 2 239.322 2.585 20 0 BFADLP Cc1cc(-c2ccc3c[nH+]cn3c2)cn2cc[nH+]c12 ZINC001245897344 987125141 /nfs/dbraw/zinc/12/51/41/987125141.db2.gz ZHGYNDIFYVMYFO-UHFFFAOYSA-N 2 2 248.289 2.957 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000695683944 987334826 /nfs/dbraw/zinc/33/48/26/987334826.db2.gz QXJQRYLDEZBPBM-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000695683944 987334836 /nfs/dbraw/zinc/33/48/36/987334836.db2.gz QXJQRYLDEZBPBM-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP [NH3+]C1CC([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000696957472 987343520 /nfs/dbraw/zinc/34/35/20/987343520.db2.gz LVERDRXVGSWONW-UHFFFAOYSA-N 2 2 245.153 2.573 20 0 BFADLP CCCCC[C@@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246094357 987405069 /nfs/dbraw/zinc/40/50/69/987405069.db2.gz FBWZQIYYLLUUBR-XQQFMLRXSA-N 2 2 230.371 2.635 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246109167 987441382 /nfs/dbraw/zinc/44/13/82/987441382.db2.gz KMXFIFRXZOLYAA-FQUUOJAGSA-N 2 2 244.398 2.737 20 0 BFADLP CCC[C@@H](CC)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246167840 987533106 /nfs/dbraw/zinc/53/31/06/987533106.db2.gz FBRNFXGKJQBNHG-OAHLLOKOSA-N 2 2 234.387 2.945 20 0 BFADLP C[C@H](CC1CC1)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246170978 987533325 /nfs/dbraw/zinc/53/33/25/987533325.db2.gz PBVHHQNGDHCKAW-CYBMUJFWSA-N 2 2 232.371 2.554 20 0 BFADLP CC1CCC([NH2+]CC[NH2+]Cc2ccccc2)CC1 ZINC001246171985 987536140 /nfs/dbraw/zinc/53/61/40/987536140.db2.gz VHYSKNLSXKOXDC-UHFFFAOYSA-N 2 2 246.398 2.945 20 0 BFADLP c1cn(CCC[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC001116485992 987600769 /nfs/dbraw/zinc/60/07/69/987600769.db2.gz YKYCCWARIDZOBS-LSDHHAIUSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC001116485992 987600771 /nfs/dbraw/zinc/60/07/71/987600771.db2.gz YKYCCWARIDZOBS-LSDHHAIUSA-N 2 2 247.386 2.785 20 0 BFADLP CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001246219589 987616038 /nfs/dbraw/zinc/61/60/38/987616038.db2.gz CFJJHEJKEYNDCY-UONOGXRCSA-N 2 2 226.408 2.935 20 0 BFADLP C=Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246238993 987638320 /nfs/dbraw/zinc/63/83/20/987638320.db2.gz XBMCRIMYXBBYMT-IUODEOHRSA-N 2 2 230.355 2.560 20 0 BFADLP CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCC1 ZINC001474075695 987639023 /nfs/dbraw/zinc/63/90/23/987639023.db2.gz XCHSIVWJXZJACI-UHFFFAOYSA-N 2 2 247.367 2.966 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246298885 987693214 /nfs/dbraw/zinc/69/32/14/987693214.db2.gz DBSYDHOBTCRHMZ-NEPJUHHUSA-N 2 2 248.345 2.545 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001474641841 987789755 /nfs/dbraw/zinc/78/97/55/987789755.db2.gz HYAONBBWUZGGSW-INIZCTEOSA-N 2 2 246.398 2.611 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001474641841 987789762 /nfs/dbraw/zinc/78/97/62/987789762.db2.gz HYAONBBWUZGGSW-INIZCTEOSA-N 2 2 246.398 2.611 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246436941 987797977 /nfs/dbraw/zinc/79/79/77/987797977.db2.gz BTRGOSHRTSZNAX-ZIAGYGMSSA-N 2 2 246.398 2.960 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCCC1 ZINC001474745961 987815603 /nfs/dbraw/zinc/81/56/03/987815603.db2.gz YXDJPEJBBPNZEE-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCCC1 ZINC001474745961 987815609 /nfs/dbraw/zinc/81/56/09/987815609.db2.gz YXDJPEJBBPNZEE-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246461533 987819108 /nfs/dbraw/zinc/81/91/08/987819108.db2.gz LHFLYCGOGPHLIQ-NWANDNLSSA-N 2 2 232.371 2.868 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1ccc(C)cc1 ZINC001246465095 987821792 /nfs/dbraw/zinc/82/17/92/987821792.db2.gz ZOSABSULVVLJSZ-AEGPPILISA-N 2 2 232.371 2.786 20 0 BFADLP CC(C)[PH+](CC[NH2+][C@H]1CCC[NH2+]C1)C(C)C ZINC001246473447 987832118 /nfs/dbraw/zinc/83/21/18/987832118.db2.gz ZCNRBPGPIFKETK-ZDUSSCGKSA-N 3 2 244.363 2.627 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+][C@H](C)C2)c1C ZINC001246476781 987835622 /nfs/dbraw/zinc/83/56/22/987835622.db2.gz VOCCFLUFAGCKDN-BNOWGMLFSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)CCC2 ZINC001246498906 987854016 /nfs/dbraw/zinc/85/40/16/987854016.db2.gz KQJIDBATTRVFRP-XNRPHZJLSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])c2ccccc2)C1 ZINC001246506794 987858836 /nfs/dbraw/zinc/85/88/36/987858836.db2.gz KCQRLZXZDSHISG-NWANDNLSSA-N 2 2 232.371 2.855 20 0 BFADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cc(F)ccc1F ZINC001118121221 988021621 /nfs/dbraw/zinc/02/16/21/988021621.db2.gz CHBQAKNUHPNWQZ-NXEZZACHSA-N 2 2 242.313 2.613 20 0 BFADLP C[C@H]1C[NH2+]CCC[N@@H+]1[C@@H]1CCCC(C)(C)C1 ZINC001246568828 988040061 /nfs/dbraw/zinc/04/00/61/988040061.db2.gz BFHRCRJERLAVSJ-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[NH2+]CCC[N@H+]1[C@@H]1CCCC(C)(C)C1 ZINC001246568828 988040078 /nfs/dbraw/zinc/04/00/78/988040078.db2.gz BFHRCRJERLAVSJ-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246588800 988160578 /nfs/dbraw/zinc/16/05/78/988160578.db2.gz XYAYFBPQRXTJDZ-RNJOBUHISA-N 2 2 230.371 2.572 20 0 BFADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246588427 988160532 /nfs/dbraw/zinc/16/05/32/988160532.db2.gz VYVJVGBFZKLQFZ-QWHCGFSZSA-N 2 2 244.398 2.818 20 0 BFADLP CC(C)CC(CC(C)C)[N@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246588427 988160542 /nfs/dbraw/zinc/16/05/42/988160542.db2.gz VYVJVGBFZKLQFZ-QWHCGFSZSA-N 2 2 244.398 2.818 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246588800 988160565 /nfs/dbraw/zinc/16/05/65/988160565.db2.gz XYAYFBPQRXTJDZ-RNJOBUHISA-N 2 2 230.371 2.572 20 0 BFADLP C[C@@H]1C[C@@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC(C)(C)C1 ZINC001246655498 988384196 /nfs/dbraw/zinc/38/41/96/988384196.db2.gz LXWOKXYYJCIRLB-QVHKTLOISA-N 2 2 236.403 2.624 20 0 BFADLP C[C@@H]1C[C@@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC(C)(C)C1 ZINC001246655498 988384211 /nfs/dbraw/zinc/38/42/11/988384211.db2.gz LXWOKXYYJCIRLB-QVHKTLOISA-N 2 2 236.403 2.624 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667440 988412901 /nfs/dbraw/zinc/41/29/01/988412901.db2.gz ZEIUJCIXBBOJJR-LXTVHRRPSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667440 988412905 /nfs/dbraw/zinc/41/29/05/988412905.db2.gz ZEIUJCIXBBOJJR-LXTVHRRPSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@H]2CCCC[NH2+]C2)cc1C ZINC001246905751 988679336 /nfs/dbraw/zinc/67/93/36/988679336.db2.gz BFXMFXWMACVKED-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@H]2CCCC[NH2+]C2)cc1C ZINC001246905751 988679342 /nfs/dbraw/zinc/67/93/42/988679342.db2.gz BFXMFXWMACVKED-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@@H+]1CC[C@@H](CNc2ccc(CC)c[nH+]2)C1 ZINC001120806310 989893181 /nfs/dbraw/zinc/89/31/81/989893181.db2.gz YNJRDXUQKCCAQF-AWEZNQCLSA-N 2 2 247.386 2.788 20 0 BFADLP CCC[N@H+]1CC[C@@H](CNc2ccc(CC)c[nH+]2)C1 ZINC001120806310 989893182 /nfs/dbraw/zinc/89/31/82/989893182.db2.gz YNJRDXUQKCCAQF-AWEZNQCLSA-N 2 2 247.386 2.788 20 0 BFADLP CCc1ccc(N2CCC[C@H]([NH+](C)C)CC2)[nH+]c1 ZINC001120926250 989968534 /nfs/dbraw/zinc/96/85/34/989968534.db2.gz BICACSCWWTVUKW-AWEZNQCLSA-N 2 2 247.386 2.565 20 0 BFADLP Cc1c[nH+]c(N[C@H]2CC[N@@H+](C3CCC3)C2)cc1C ZINC001161177292 990850977 /nfs/dbraw/zinc/85/09/77/990850977.db2.gz LFIKIMBPOFSEFK-ZDUSSCGKSA-N 2 2 245.370 2.737 20 0 BFADLP Cc1c[nH+]c(N[C@H]2CC[N@H+](C3CCC3)C2)cc1C ZINC001161177292 990850980 /nfs/dbraw/zinc/85/09/80/990850980.db2.gz LFIKIMBPOFSEFK-ZDUSSCGKSA-N 2 2 245.370 2.737 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C/C=C\c1ccccc1 ZINC001308292282 990958462 /nfs/dbraw/zinc/95/84/62/990958462.db2.gz GKVDJWMFHMHJBA-ANOSYLROSA-N 2 2 244.382 2.774 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C/C=C\c1ccccc1 ZINC001308292282 990958470 /nfs/dbraw/zinc/95/84/70/990958470.db2.gz GKVDJWMFHMHJBA-ANOSYLROSA-N 2 2 244.382 2.774 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001258066598 990961668 /nfs/dbraw/zinc/96/16/68/990961668.db2.gz PISHWYDKDCDGNK-OLZOCXBDSA-N 2 2 226.408 2.598 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001258152039 991032540 /nfs/dbraw/zinc/03/25/40/991032540.db2.gz MXMWTYBQFNIMSN-YDHLFZDLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC001258152039 991032545 /nfs/dbraw/zinc/03/25/45/991032545.db2.gz MXMWTYBQFNIMSN-YDHLFZDLSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1ccco1 ZINC001258171657 991070604 /nfs/dbraw/zinc/07/06/04/991070604.db2.gz CUCVHRWAKPZXLO-CYBMUJFWSA-N 2 2 238.375 2.532 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccco1 ZINC001258171657 991070614 /nfs/dbraw/zinc/07/06/14/991070614.db2.gz CUCVHRWAKPZXLO-CYBMUJFWSA-N 2 2 238.375 2.532 20 0 BFADLP CCCCc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206729283 991086521 /nfs/dbraw/zinc/08/65/21/991086521.db2.gz AEHSYYPYCBSJPQ-UHFFFAOYSA-N 2 2 246.398 2.810 20 0 BFADLP [NH3+]CCc1[nH+]ccn1C1CCCCCCC1 ZINC001258232740 991165913 /nfs/dbraw/zinc/16/59/13/991165913.db2.gz DEHMUFPXPZXKJN-UHFFFAOYSA-N 2 2 221.348 2.670 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC001308970669 991243177 /nfs/dbraw/zinc/24/31/77/991243177.db2.gz MWFYPTUKSRKCLY-SOUVJXGZSA-N 2 2 240.435 2.987 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCC2)CC1 ZINC001560549398 991499790 /nfs/dbraw/zinc/49/97/90/991499790.db2.gz CJGVSYGETNFLDL-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CCC2)CC1 ZINC001560549398 991499794 /nfs/dbraw/zinc/49/97/94/991499794.db2.gz CJGVSYGETNFLDL-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC001258598731 991499919 /nfs/dbraw/zinc/49/99/19/991499919.db2.gz KZHCVJLJPQWWNZ-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC001258598731 991499922 /nfs/dbraw/zinc/49/99/22/991499922.db2.gz KZHCVJLJPQWWNZ-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001258599489 991502732 /nfs/dbraw/zinc/50/27/32/991502732.db2.gz BVSOOVFITDBLMZ-LBPRGKRZSA-N 2 2 234.343 2.629 20 0 BFADLP C[C@H]1C[C@@H](n2cc[nH+]c2CC[NH3+])CC(C)(C)C1 ZINC001258686820 991618206 /nfs/dbraw/zinc/61/82/06/991618206.db2.gz KLQCBDITJQJCEG-NWDGAFQWSA-N 2 2 235.375 2.772 20 0 BFADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC001258813930 991824259 /nfs/dbraw/zinc/82/42/59/991824259.db2.gz MGHIBFWRYILUOZ-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC001258813930 991824265 /nfs/dbraw/zinc/82/42/65/991824265.db2.gz MGHIBFWRYILUOZ-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc([NH2+]C(C)C)ccc1N1CC[NH+](C)CC1 ZINC001320306613 992163846 /nfs/dbraw/zinc/16/38/46/992163846.db2.gz XPMOTDYJDAHYMC-UHFFFAOYSA-N 2 2 247.386 2.567 20 0 BFADLP CC1(C)C[N@H+](Cc2cccc3ccoc32)C[C@@H]1[NH3+] ZINC001576457960 993311271 /nfs/dbraw/zinc/31/12/71/993311271.db2.gz RAQFXKMYCGETTJ-ZDUSSCGKSA-N 2 2 244.338 2.602 20 0 BFADLP CC1(C)C[N@@H+](Cc2cccc3ccoc32)C[C@@H]1[NH3+] ZINC001576457960 993311277 /nfs/dbraw/zinc/31/12/77/993311277.db2.gz RAQFXKMYCGETTJ-ZDUSSCGKSA-N 2 2 244.338 2.602 20 0 BFADLP CC1(C)CC[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC000701264588 993880334 /nfs/dbraw/zinc/88/03/34/993880334.db2.gz INCOXAGHZHQDIX-HNNXBMFYSA-N 2 2 246.398 2.945 20 0 BFADLP CC(C)CCC[NH2+]CC[NH+]1CCC(C)CC1 ZINC000053343333 136209819 /nfs/dbraw/zinc/20/98/19/136209819.db2.gz DCAMMOOLODRWAK-UHFFFAOYSA-N 2 2 226.408 2.744 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000053345017 136209834 /nfs/dbraw/zinc/20/98/34/136209834.db2.gz CPSFSDCODAOPFJ-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000053345017 136209835 /nfs/dbraw/zinc/20/98/35/136209835.db2.gz CPSFSDCODAOPFJ-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000310027461 168316084 /nfs/dbraw/zinc/31/60/84/168316084.db2.gz QALRSKAWBOORCD-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000310027461 168316085 /nfs/dbraw/zinc/31/60/85/168316085.db2.gz QALRSKAWBOORCD-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000415009729 398149485 /nfs/dbraw/zinc/14/94/85/398149485.db2.gz OGOFFCZXNAZABI-YUMQZZPRSA-N 2 2 247.169 2.819 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422941896 398159320 /nfs/dbraw/zinc/15/93/20/398159320.db2.gz VYMSABXLXXOGJM-KCXAZCMYSA-N 2 2 244.382 2.712 20 0 BFADLP CC[N@H+](CC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000042409463 398171909 /nfs/dbraw/zinc/17/19/09/398171909.db2.gz MXLAPCGKEXCEIZ-UHFFFAOYSA-N 2 2 234.387 2.897 20 0 BFADLP CC[N@@H+](CC[NH2+]C(C)(C)C)Cc1ccccc1 ZINC000042409463 398171912 /nfs/dbraw/zinc/17/19/12/398171912.db2.gz MXLAPCGKEXCEIZ-UHFFFAOYSA-N 2 2 234.387 2.897 20 0 BFADLP CCC([NH3+])(CC)C[NH2+]Cc1cccc(F)c1F ZINC000560944317 322993707 /nfs/dbraw/zinc/99/37/07/322993707.db2.gz YVSRCHKGFZZWMK-UHFFFAOYSA-N 2 2 242.313 2.572 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000649379883 398189937 /nfs/dbraw/zinc/18/99/37/398189937.db2.gz VSUSCZXXTUTPLN-OAHLLOKOSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000649379883 398189940 /nfs/dbraw/zinc/18/99/40/398189940.db2.gz VSUSCZXXTUTPLN-OAHLLOKOSA-N 2 2 236.403 2.949 20 0 BFADLP C[C@H](C[NH2+]CCCn1cc[nH+]c1)C(C)(C)C ZINC000162805992 538924956 /nfs/dbraw/zinc/92/49/56/538924956.db2.gz HUYMBERRFZFWBF-GFCCVEGCSA-N 2 2 223.364 2.545 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386651446 398214911 /nfs/dbraw/zinc/21/49/11/398214911.db2.gz QKRLCQDGBXVJPD-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386651446 398214914 /nfs/dbraw/zinc/21/49/14/398214914.db2.gz QKRLCQDGBXVJPD-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@@H]1C ZINC000414110072 398217112 /nfs/dbraw/zinc/21/71/12/398217112.db2.gz LMKOZTXXHYRDLG-OBORUHMCSA-N 2 2 236.403 2.636 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@@H]1C ZINC000414110072 398217115 /nfs/dbraw/zinc/21/71/15/398217115.db2.gz LMKOZTXXHYRDLG-OBORUHMCSA-N 2 2 236.403 2.636 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000336895146 398218033 /nfs/dbraw/zinc/21/80/33/398218033.db2.gz MPGIDGVBCDQVHU-CZUORRHYSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)cc1 ZINC000336895146 398218035 /nfs/dbraw/zinc/21/80/35/398218035.db2.gz MPGIDGVBCDQVHU-CZUORRHYSA-N 2 2 246.398 2.994 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000264400528 187331718 /nfs/dbraw/zinc/33/17/18/187331718.db2.gz VTDQBJPRGZKYNW-JWAFFJSPSA-N 2 2 232.371 2.630 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCC1 ZINC000449195692 398223691 /nfs/dbraw/zinc/22/36/91/398223691.db2.gz RHPXIMYTCZLWIC-CQDKDKBSSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCC1 ZINC000449195692 398223696 /nfs/dbraw/zinc/22/36/96/398223696.db2.gz RHPXIMYTCZLWIC-CQDKDKBSSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000449195691 398224215 /nfs/dbraw/zinc/22/42/15/398224215.db2.gz RHPXIMYTCZLWIC-BYCMXARLSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000449195691 398224216 /nfs/dbraw/zinc/22/42/16/398224216.db2.gz RHPXIMYTCZLWIC-BYCMXARLSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000449195694 398224348 /nfs/dbraw/zinc/22/43/48/398224348.db2.gz RHPXIMYTCZLWIC-UGFHNGPFSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCC1 ZINC000449195694 398224349 /nfs/dbraw/zinc/22/43/49/398224349.db2.gz RHPXIMYTCZLWIC-UGFHNGPFSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC000219258750 178226758 /nfs/dbraw/zinc/22/67/58/178226758.db2.gz QISWFNCXMUBZID-YPMHNXCESA-N 2 2 236.359 2.641 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC000219258750 178226761 /nfs/dbraw/zinc/22/67/61/178226761.db2.gz QISWFNCXMUBZID-YPMHNXCESA-N 2 2 236.359 2.641 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000043326781 178230507 /nfs/dbraw/zinc/23/05/07/178230507.db2.gz YYQNKUHMDCDPLR-ZYHUDNBSSA-N 2 2 238.400 2.768 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)oc1C ZINC000337400455 178230955 /nfs/dbraw/zinc/23/09/55/178230955.db2.gz PPABSZPXMJEPJO-NWDGAFQWSA-N 2 2 238.375 2.887 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC000219258941 178251222 /nfs/dbraw/zinc/25/12/22/178251222.db2.gz QISWFNCXMUBZID-WCQYABFASA-N 2 2 236.359 2.641 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c(C)o1 ZINC000219258941 178251225 /nfs/dbraw/zinc/25/12/25/178251225.db2.gz QISWFNCXMUBZID-WCQYABFASA-N 2 2 236.359 2.641 20 0 BFADLP CCC(CC)C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000125143933 168362270 /nfs/dbraw/zinc/36/22/70/168362270.db2.gz XJVPVITVQHQQDG-INIZCTEOSA-N 2 2 246.398 2.899 20 0 BFADLP CCC(CC)C[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000035258947 168362880 /nfs/dbraw/zinc/36/28/80/168362880.db2.gz FOPVIHCZOVROAS-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000094080451 178293318 /nfs/dbraw/zinc/29/33/18/178293318.db2.gz ZCMJYHBOOBBGGN-AAEUAGOBSA-N 2 2 248.370 2.553 20 0 BFADLP CCC[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718542 259312615 /nfs/dbraw/zinc/31/26/15/259312615.db2.gz UJCLYPPEAVRXNM-ZIAGYGMSSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000187718542 259312617 /nfs/dbraw/zinc/31/26/17/259312617.db2.gz UJCLYPPEAVRXNM-ZIAGYGMSSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CC2CCC1CC2 ZINC000381523725 398260697 /nfs/dbraw/zinc/26/06/97/398260697.db2.gz NJJXSGXXBJYUDB-XSCHDIRWSA-N 2 2 247.386 2.688 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000334559798 136231456 /nfs/dbraw/zinc/23/14/56/136231456.db2.gz DILLTKSYNBOASO-UHFFFAOYSA-N 2 2 247.386 2.619 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCCC2(CCCC2)C1 ZINC000334559798 136231457 /nfs/dbraw/zinc/23/14/57/136231457.db2.gz DILLTKSYNBOASO-UHFFFAOYSA-N 2 2 247.386 2.619 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH+]1CCCCC1)C(C)C ZINC000037319581 538962270 /nfs/dbraw/zinc/96/22/70/538962270.db2.gz LWQAAJJSLFEHMT-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1scc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1C ZINC000400812617 398280490 /nfs/dbraw/zinc/28/04/90/398280490.db2.gz YWPDGURTIYUOPE-GXFFZTMASA-N 2 2 238.400 2.595 20 0 BFADLP Cc1scc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1C ZINC000400812616 398280712 /nfs/dbraw/zinc/28/07/12/398280712.db2.gz YWPDGURTIYUOPE-GWCFXTLKSA-N 2 2 238.400 2.595 20 0 BFADLP CCC(CC)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020201398 168388740 /nfs/dbraw/zinc/38/87/40/168388740.db2.gz RRHLMWWQEVDXAJ-CYBMUJFWSA-N 2 2 214.397 2.741 20 0 BFADLP CCC(CC)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028514 168388765 /nfs/dbraw/zinc/38/87/65/168388765.db2.gz YCHHMPMPUOLVNP-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000309641720 342771922 /nfs/dbraw/zinc/77/19/22/342771922.db2.gz KWMYRDUBDPYJOZ-ZIAGYGMSSA-N 2 2 222.376 2.559 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000309641720 342771923 /nfs/dbraw/zinc/77/19/23/342771923.db2.gz KWMYRDUBDPYJOZ-ZIAGYGMSSA-N 2 2 222.376 2.559 20 0 BFADLP CCC(CC)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037154050 168392336 /nfs/dbraw/zinc/39/23/36/168392336.db2.gz CTYKSDAYDDBWQF-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000040672992 538972105 /nfs/dbraw/zinc/97/21/05/538972105.db2.gz ZPQGHFIEKQXNCW-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000040672992 538972106 /nfs/dbraw/zinc/97/21/06/538972106.db2.gz ZPQGHFIEKQXNCW-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000379732275 538979851 /nfs/dbraw/zinc/97/98/51/538979851.db2.gz XZCMDVHNDVXFCM-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000379732275 538979852 /nfs/dbraw/zinc/97/98/52/538979852.db2.gz XZCMDVHNDVXFCM-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000381538152 539003101 /nfs/dbraw/zinc/00/31/01/539003101.db2.gz GPDDFAUHXGHIFI-CYBMUJFWSA-N 2 2 228.424 2.990 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000381538152 539003102 /nfs/dbraw/zinc/00/31/02/539003102.db2.gz GPDDFAUHXGHIFI-CYBMUJFWSA-N 2 2 228.424 2.990 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000381524663 539003117 /nfs/dbraw/zinc/00/31/17/539003117.db2.gz WDDWZKFYNPDICK-ZIAGYGMSSA-N 2 2 226.408 2.600 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000381524663 539003118 /nfs/dbraw/zinc/00/31/18/539003118.db2.gz WDDWZKFYNPDICK-ZIAGYGMSSA-N 2 2 226.408 2.600 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000381219116 538996629 /nfs/dbraw/zinc/99/66/29/538996629.db2.gz IMESXJFKYZJJIH-OLZOCXBDSA-N 2 2 226.408 2.600 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000381219116 538996631 /nfs/dbraw/zinc/99/66/31/538996631.db2.gz IMESXJFKYZJJIH-OLZOCXBDSA-N 2 2 226.408 2.600 20 0 BFADLP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccoc1 ZINC000351354908 136245106 /nfs/dbraw/zinc/24/51/06/136245106.db2.gz XQDMWWLKEDBDLH-UHFFFAOYSA-N 2 2 236.359 2.587 20 0 BFADLP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccoc1 ZINC000351354908 136245107 /nfs/dbraw/zinc/24/51/07/136245107.db2.gz XQDMWWLKEDBDLH-UHFFFAOYSA-N 2 2 236.359 2.587 20 0 BFADLP Cc1ccc(C[NH2+]CCC[NH+](C)C)c(Cl)c1 ZINC000234218352 342918789 /nfs/dbraw/zinc/91/87/89/342918789.db2.gz TZFYCLIGUVKRDW-UHFFFAOYSA-N 2 2 240.778 2.690 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313256553 259331884 /nfs/dbraw/zinc/33/18/84/259331884.db2.gz YTYSXHUMIWWOHH-QWHCGFSZSA-N 2 2 237.391 2.767 20 0 BFADLP CCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000053343391 346887433 /nfs/dbraw/zinc/88/74/33/346887433.db2.gz ZUHQBFSYPDGDGT-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000053343391 346887436 /nfs/dbraw/zinc/88/74/36/346887436.db2.gz ZUHQBFSYPDGDGT-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000313259868 259332026 /nfs/dbraw/zinc/33/20/26/259332026.db2.gz FYNFZKPSVFPFFQ-KGLIPLIRSA-N 2 2 247.386 2.521 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313261841 259332067 /nfs/dbraw/zinc/33/20/67/259332067.db2.gz JSSXGVGWBHVSTI-GXTWGEPZSA-N 2 2 247.386 2.545 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)c1ccccc1 ZINC000020125963 342970705 /nfs/dbraw/zinc/97/07/05/342970705.db2.gz NMONRSNRJQRAJF-ZDUSSCGKSA-N 2 2 234.387 2.720 20 0 BFADLP CC[C@@H](C)C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186747 342975365 /nfs/dbraw/zinc/97/53/65/342975365.db2.gz CEFAANPJUJHUMA-GFCCVEGCSA-N 2 2 245.370 2.980 20 0 BFADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccco2)CC1 ZINC000020189142 342975619 /nfs/dbraw/zinc/97/56/19/342975619.db2.gz PAJJVYBSQKYTLA-GFCCVEGCSA-N 2 2 236.359 2.803 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC000019959584 342964792 /nfs/dbraw/zinc/96/47/92/342964792.db2.gz AXIBXDIDPLRSCR-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C)c1 ZINC000019959584 342964793 /nfs/dbraw/zinc/96/47/93/342964793.db2.gz AXIBXDIDPLRSCR-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1sccc1C ZINC000019959755 342964913 /nfs/dbraw/zinc/96/49/13/342964913.db2.gz NJKKGJSAYIVGCA-GFCCVEGCSA-N 2 2 238.400 2.630 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1sccc1C ZINC000019959755 342964915 /nfs/dbraw/zinc/96/49/15/342964915.db2.gz NJKKGJSAYIVGCA-GFCCVEGCSA-N 2 2 238.400 2.630 20 0 BFADLP CC[C@H]([NH2+]CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000022217458 343044345 /nfs/dbraw/zinc/04/43/45/343044345.db2.gz YVPHSGWEVVXRHE-ZDUSSCGKSA-N 2 2 240.778 2.942 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000400490680 529650985 /nfs/dbraw/zinc/65/09/85/529650985.db2.gz ZBTRBRIAFULPIU-SRVKXCTJSA-N 2 2 238.400 2.929 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cs1 ZINC000168832585 343210219 /nfs/dbraw/zinc/21/02/19/343210219.db2.gz LVIYZIYQZLNJON-SCZZXKLOSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cs1 ZINC000168832585 343210220 /nfs/dbraw/zinc/21/02/20/343210220.db2.gz LVIYZIYQZLNJON-SCZZXKLOSA-N 2 2 244.791 2.713 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000226791081 343264735 /nfs/dbraw/zinc/26/47/35/343264735.db2.gz PTMFJYJBPZIBPI-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000226791081 343264737 /nfs/dbraw/zinc/26/47/37/343264737.db2.gz PTMFJYJBPZIBPI-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCCC[C@H]1C ZINC000069945341 343294348 /nfs/dbraw/zinc/29/43/48/343294348.db2.gz OAHDCJHHNGOXAN-CHWSQXEVSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCCC[C@H]1C ZINC000069945341 343294350 /nfs/dbraw/zinc/29/43/50/343294350.db2.gz OAHDCJHHNGOXAN-CHWSQXEVSA-N 2 2 212.381 2.624 20 0 BFADLP Clc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000335642336 136309001 /nfs/dbraw/zinc/30/90/01/136309001.db2.gz HSCBUOZWDSBRLV-VIFPVBQESA-N 2 2 244.791 2.633 20 0 BFADLP Cc1c[nH+]ccc1CCn1c[nH+]c2c1CCCC2 ZINC000335660470 136314749 /nfs/dbraw/zinc/31/47/49/136314749.db2.gz ALNKWVAACQGULL-UHFFFAOYSA-N 2 2 241.338 2.708 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CC=CCC1 ZINC000349033474 136320471 /nfs/dbraw/zinc/32/04/71/136320471.db2.gz MXAAVRSTNFZTJY-PMPSAXMXSA-N 2 2 248.414 2.901 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CC=CCC1 ZINC000349033474 136320472 /nfs/dbraw/zinc/32/04/72/136320472.db2.gz MXAAVRSTNFZTJY-PMPSAXMXSA-N 2 2 248.414 2.901 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166691612 136363682 /nfs/dbraw/zinc/36/36/82/136363682.db2.gz CTIXKGXJTBCZPI-VHSXEESVSA-N 2 2 240.313 2.647 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000309169408 343483441 /nfs/dbraw/zinc/48/34/41/343483441.db2.gz KRDSHRWTIMXLOL-AVGNSLFASA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000309169408 343483443 /nfs/dbraw/zinc/48/34/43/343483443.db2.gz KRDSHRWTIMXLOL-AVGNSLFASA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000379975314 365772176 /nfs/dbraw/zinc/77/21/76/365772176.db2.gz DBXNYVZWIMNXKS-FRRDWIJNSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1ccccc1C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070975831 343579679 /nfs/dbraw/zinc/57/96/79/343579679.db2.gz DBNDHGFVARXBKJ-MRXNPFEDSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1ccccc1C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000070975831 343579682 /nfs/dbraw/zinc/57/96/82/343579682.db2.gz DBNDHGFVARXBKJ-MRXNPFEDSA-N 2 2 246.398 2.957 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000054765323 343661735 /nfs/dbraw/zinc/66/17/35/343661735.db2.gz FECWVIOAPLLMGW-CYBMUJFWSA-N 2 2 215.300 2.651 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](C)C1 ZINC000340283583 187346946 /nfs/dbraw/zinc/34/69/46/187346946.db2.gz LSQYLYYAVRJMBP-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@H](C)C1 ZINC000340283583 187346948 /nfs/dbraw/zinc/34/69/48/187346948.db2.gz LSQYLYYAVRJMBP-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@H](C)C1 ZINC000340283583 187346951 /nfs/dbraw/zinc/34/69/51/187346951.db2.gz LSQYLYYAVRJMBP-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@H](C)C1 ZINC000340283583 187346952 /nfs/dbraw/zinc/34/69/52/187346952.db2.gz LSQYLYYAVRJMBP-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H](C[N@@H+]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000625435850 343733786 /nfs/dbraw/zinc/73/37/86/343733786.db2.gz YCUWTEHCVCFZFM-GFCCVEGCSA-N 2 2 247.386 2.984 20 0 BFADLP C[C@H](C[N@H+]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000625435850 343733788 /nfs/dbraw/zinc/73/37/88/343733788.db2.gz YCUWTEHCVCFZFM-GFCCVEGCSA-N 2 2 247.386 2.984 20 0 BFADLP CC1CCC(C[N@@H+]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000625436868 343734284 /nfs/dbraw/zinc/73/42/84/343734284.db2.gz LOAPNGPVGUPSSH-UHFFFAOYSA-N 2 2 233.359 2.594 20 0 BFADLP CC1CCC(C[N@H+]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000625436868 343734285 /nfs/dbraw/zinc/73/42/85/343734285.db2.gz LOAPNGPVGUPSSH-UHFFFAOYSA-N 2 2 233.359 2.594 20 0 BFADLP CCC(C)(C)CC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434453 343735188 /nfs/dbraw/zinc/73/51/88/343735188.db2.gz UZFUBVJVNMEGRF-UHFFFAOYSA-N 2 2 221.348 2.594 20 0 BFADLP CCC(C)(C)CC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434453 343735190 /nfs/dbraw/zinc/73/51/90/343735190.db2.gz UZFUBVJVNMEGRF-UHFFFAOYSA-N 2 2 221.348 2.594 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348089690 537830351 /nfs/dbraw/zinc/83/03/51/537830351.db2.gz UIZRFZXRTZYIEQ-BPLDGKMQSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348089690 537830359 /nfs/dbraw/zinc/83/03/59/537830359.db2.gz UIZRFZXRTZYIEQ-BPLDGKMQSA-N 2 2 236.403 2.639 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348090600 537830970 /nfs/dbraw/zinc/83/09/70/537830970.db2.gz WOZGPPUYUWRFID-GJZGRUSLSA-N 2 2 236.403 2.641 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000127231340 344056546 /nfs/dbraw/zinc/05/65/46/344056546.db2.gz PBRPCSIIEUQBGL-TXTHVTMNSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000127231340 344056549 /nfs/dbraw/zinc/05/65/49/344056549.db2.gz PBRPCSIIEUQBGL-TXTHVTMNSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000127231574 344056687 /nfs/dbraw/zinc/05/66/87/344056687.db2.gz PBRPCSIIEUQBGL-OMDKTOEGSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000127231574 344056688 /nfs/dbraw/zinc/05/66/88/344056688.db2.gz PBRPCSIIEUQBGL-OMDKTOEGSA-N 2 2 248.345 2.523 20 0 BFADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000050227775 187357205 /nfs/dbraw/zinc/35/72/05/187357205.db2.gz RRKDGVKNYAWWAM-CQSZACIVSA-N 2 2 232.371 2.517 20 0 BFADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000050227775 187357207 /nfs/dbraw/zinc/35/72/07/187357207.db2.gz RRKDGVKNYAWWAM-CQSZACIVSA-N 2 2 232.371 2.517 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[NH+](C)C ZINC000348109920 537840519 /nfs/dbraw/zinc/84/05/19/537840519.db2.gz UXMQAUDPUBQPBH-RBSFLKMASA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCCC(C)C ZINC000309988650 344490495 /nfs/dbraw/zinc/49/04/95/344490495.db2.gz ZLUBGQZWEQAOPY-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCCC(C)C ZINC000309988650 344490498 /nfs/dbraw/zinc/49/04/98/344490498.db2.gz ZLUBGQZWEQAOPY-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H](C)c1ccccc1 ZINC000624100901 344538992 /nfs/dbraw/zinc/53/89/92/344538992.db2.gz UUQGKUUQITUMAM-SQWLQELKSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H](C)c1ccccc1 ZINC000624100901 344538996 /nfs/dbraw/zinc/53/89/96/344538996.db2.gz UUQGKUUQITUMAM-SQWLQELKSA-N 2 2 246.398 2.862 20 0 BFADLP CC[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)C ZINC000152794979 344694939 /nfs/dbraw/zinc/69/49/39/344694939.db2.gz QFTCFEPKNKGFEA-CQSZACIVSA-N 2 2 249.402 2.786 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154527074 345040502 /nfs/dbraw/zinc/04/05/02/345040502.db2.gz NHZCTJIUWIKCEJ-CJNGLKHVSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154527074 345040503 /nfs/dbraw/zinc/04/05/03/345040503.db2.gz NHZCTJIUWIKCEJ-CJNGLKHVSA-N 2 2 244.382 2.666 20 0 BFADLP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993390 345189710 /nfs/dbraw/zinc/18/97/10/345189710.db2.gz SRQBGCAMTKBMPE-JLVJUDLZSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993390 345189711 /nfs/dbraw/zinc/18/97/11/345189711.db2.gz SRQBGCAMTKBMPE-JLVJUDLZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991532 345177714 /nfs/dbraw/zinc/17/77/14/345177714.db2.gz IDHDPMCQENETRY-XIKARTHZSA-N 2 2 248.345 2.571 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991532 345177716 /nfs/dbraw/zinc/17/77/16/345177716.db2.gz IDHDPMCQENETRY-XIKARTHZSA-N 2 2 248.345 2.571 20 0 BFADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991531 345177729 /nfs/dbraw/zinc/17/77/29/345177729.db2.gz IDHDPMCQENETRY-BZUNDVKYSA-N 2 2 248.345 2.571 20 0 BFADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634991531 345177732 /nfs/dbraw/zinc/17/77/32/345177732.db2.gz IDHDPMCQENETRY-BZUNDVKYSA-N 2 2 248.345 2.571 20 0 BFADLP c1cc([C@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)cs1 ZINC000634991947 345179263 /nfs/dbraw/zinc/17/92/63/345179263.db2.gz XNXWLZAYHYGHQB-HRDQMINSSA-N 2 2 248.395 2.637 20 0 BFADLP c1cc([C@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)cs1 ZINC000634991947 345179266 /nfs/dbraw/zinc/17/92/66/345179266.db2.gz XNXWLZAYHYGHQB-HRDQMINSSA-N 2 2 248.395 2.637 20 0 BFADLP CC[C@@H](C)[C@H](C)[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992253 345180010 /nfs/dbraw/zinc/18/00/10/345180010.db2.gz JIMBCXUFGCLTEV-ATAKMUTHSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H](C)[C@H](C)[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992253 345180013 /nfs/dbraw/zinc/18/00/13/345180013.db2.gz JIMBCXUFGCLTEV-ATAKMUTHSA-N 2 2 236.403 2.637 20 0 BFADLP C([N@@H+]1CC[C@@H](C2CCCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996518 345188082 /nfs/dbraw/zinc/18/80/82/345188082.db2.gz MGWXCVANQKNNFP-OGVSOVDVSA-N 2 2 248.414 2.641 20 0 BFADLP C([N@H+]1CC[C@@H](C2CCCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996518 345188084 /nfs/dbraw/zinc/18/80/84/345188084.db2.gz MGWXCVANQKNNFP-OGVSOVDVSA-N 2 2 248.414 2.641 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)s1 ZINC000154508901 178841630 /nfs/dbraw/zinc/84/16/30/178841630.db2.gz XFOKBJZDBKJOPS-NEPJUHHUSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)s1 ZINC000154508901 178841632 /nfs/dbraw/zinc/84/16/32/178841632.db2.gz XFOKBJZDBKJOPS-NEPJUHHUSA-N 2 2 238.400 2.801 20 0 BFADLP C[N@H+](Cc1cc2ccccc2o1)[C@@H](C[NH3+])C1CC1 ZINC000159705094 345489485 /nfs/dbraw/zinc/48/94/85/345489485.db2.gz KZSDEYXNKWSDSR-AWEZNQCLSA-N 2 2 244.338 2.602 20 0 BFADLP C[N@@H+](Cc1cc2ccccc2o1)[C@@H](C[NH3+])C1CC1 ZINC000159705094 345489489 /nfs/dbraw/zinc/48/94/89/345489489.db2.gz KZSDEYXNKWSDSR-AWEZNQCLSA-N 2 2 244.338 2.602 20 0 BFADLP CC(C)[NH+](CCC[NH2+]Cc1ccco1)C(C)C ZINC000173571526 187305573 /nfs/dbraw/zinc/30/55/73/187305573.db2.gz AZXIILLUCSFAEA-UHFFFAOYSA-N 2 2 238.375 2.878 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C1CCC1 ZINC000090847351 345577671 /nfs/dbraw/zinc/57/76/71/345577671.db2.gz NRDOTFWQOSTXPS-GFCCVEGCSA-N 2 2 218.344 2.711 20 0 BFADLP Cn1c[nH+]cc1C[N@H+](Cc1cccs1)C1CC1 ZINC000177249190 187306898 /nfs/dbraw/zinc/30/68/98/187306898.db2.gz CBHORMOGABWWAF-UHFFFAOYSA-N 2 2 247.367 2.646 20 0 BFADLP Cn1c[nH+]cc1C[N@@H+](Cc1cccs1)C1CC1 ZINC000177249190 187306900 /nfs/dbraw/zinc/30/69/00/187306900.db2.gz CBHORMOGABWWAF-UHFFFAOYSA-N 2 2 247.367 2.646 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cccnc1 ZINC000090846953 345576589 /nfs/dbraw/zinc/57/65/89/345576589.db2.gz SKHYQDGOWNEVHH-CYBMUJFWSA-N 2 2 241.338 2.678 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000070562779 345775886 /nfs/dbraw/zinc/77/58/86/345775886.db2.gz JPXGYGKQLIGVKS-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000070562779 345775888 /nfs/dbraw/zinc/77/58/88/345775888.db2.gz JPXGYGKQLIGVKS-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+](CCOc1cc[nH+]cc1)Cc1ccccc1 ZINC000418955031 192092190 /nfs/dbraw/zinc/09/21/90/192092190.db2.gz PCWALGAYLYIPLT-UHFFFAOYSA-N 2 2 242.322 2.592 20 0 BFADLP C[N@@H+](CCOc1cc[nH+]cc1)Cc1ccccc1 ZINC000418955031 192092192 /nfs/dbraw/zinc/09/21/92/192092192.db2.gz PCWALGAYLYIPLT-UHFFFAOYSA-N 2 2 242.322 2.592 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@H]2C[C@H]2C)c[nH+]1 ZINC000309806502 187311127 /nfs/dbraw/zinc/31/11/27/187311127.db2.gz SGPKVTBEAYJBPV-BXUZGUMPSA-N 2 2 218.344 2.568 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000531704788 323111935 /nfs/dbraw/zinc/11/19/35/323111935.db2.gz MLBGVTINZRHTCE-QPSCCSFWSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000531704788 323111936 /nfs/dbraw/zinc/11/19/36/323111936.db2.gz MLBGVTINZRHTCE-QPSCCSFWSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000302514309 187317551 /nfs/dbraw/zinc/31/75/51/187317551.db2.gz CQFYTAQPPGYCTJ-CJNGLKHVSA-N 2 2 246.398 2.898 20 0 BFADLP CC(C)(C)CC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311670 349945821 /nfs/dbraw/zinc/94/58/21/349945821.db2.gz KRMFBTQBKFERHG-HNNXBMFYSA-N 2 2 246.398 2.981 20 0 BFADLP CC(C)(C)CC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311670 349945826 /nfs/dbraw/zinc/94/58/26/349945826.db2.gz KRMFBTQBKFERHG-HNNXBMFYSA-N 2 2 246.398 2.981 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000020126901 259388502 /nfs/dbraw/zinc/38/85/02/259388502.db2.gz XSADAISPBBKTDB-CQSZACIVSA-N 2 2 232.371 2.741 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@H](C)C1 ZINC000336379478 187367468 /nfs/dbraw/zinc/36/74/68/187367468.db2.gz LRMFDXCLOKMGAH-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@H](C)C1 ZINC000336379478 187367470 /nfs/dbraw/zinc/36/74/70/187367470.db2.gz LRMFDXCLOKMGAH-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@H](C)C1 ZINC000336379478 187367472 /nfs/dbraw/zinc/36/74/72/187367472.db2.gz LRMFDXCLOKMGAH-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@H](C)C1 ZINC000336379478 187367474 /nfs/dbraw/zinc/36/74/74/187367474.db2.gz LRMFDXCLOKMGAH-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP Cc1cccc(C[N@H+](C)CCn2cc[nH+]c2)c1C ZINC000298196633 179066659 /nfs/dbraw/zinc/06/66/59/179066659.db2.gz BYKSJSHMZUTRKH-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP Cc1cccc(C[N@@H+](C)CCn2cc[nH+]c2)c1C ZINC000298196633 179066662 /nfs/dbraw/zinc/06/66/62/179066662.db2.gz BYKSJSHMZUTRKH-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP C[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1F ZINC000679224805 488321099 /nfs/dbraw/zinc/32/10/99/488321099.db2.gz PBZREFVSSJKKCX-MGPQQGTHSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1F ZINC000679224805 488321103 /nfs/dbraw/zinc/32/11/03/488321103.db2.gz PBZREFVSSJKKCX-MGPQQGTHSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1F ZINC000679224805 488321107 /nfs/dbraw/zinc/32/11/07/488321107.db2.gz PBZREFVSSJKKCX-MGPQQGTHSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1F ZINC000679224805 488321110 /nfs/dbraw/zinc/32/11/10/488321110.db2.gz PBZREFVSSJKKCX-MGPQQGTHSA-N 2 2 242.382 2.541 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)C1(C)CC1)[NH+](C)C ZINC000037468517 346694842 /nfs/dbraw/zinc/69/48/42/346694842.db2.gz JCOBPZKACOUHAK-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH2+]C1(C2CC2)CC1 ZINC000582043856 347125420 /nfs/dbraw/zinc/12/54/20/347125420.db2.gz NEDYREIXUSFBCN-CQSZACIVSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH2+]C1(C2CC2)CC1 ZINC000582043856 347125426 /nfs/dbraw/zinc/12/54/26/347125426.db2.gz NEDYREIXUSFBCN-CQSZACIVSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1C ZINC000155657642 179182557 /nfs/dbraw/zinc/18/25/57/179182557.db2.gz UMSFNGYZLRZCFJ-CQSZACIVSA-N 2 2 243.354 2.851 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000310039330 347222838 /nfs/dbraw/zinc/22/28/38/347222838.db2.gz WXRQXTYKGDRCKW-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000037249335 179195101 /nfs/dbraw/zinc/19/51/01/179195101.db2.gz VUOQCHLXAUPGDG-AWEZNQCLSA-N 2 2 243.354 2.932 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC000393631197 347268407 /nfs/dbraw/zinc/26/84/07/347268407.db2.gz OCMFXTLTEPYEHD-FRRDWIJNSA-N 2 2 214.397 2.741 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+]CC[NH+](C)C ZINC000020083695 347406290 /nfs/dbraw/zinc/40/62/90/347406290.db2.gz XJALMNLCHXVJPE-UHFFFAOYSA-N 2 2 214.397 2.598 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000319493408 259396120 /nfs/dbraw/zinc/39/61/20/259396120.db2.gz HWDJMGBHDUOIQA-ZENOOKHLSA-N 2 2 246.398 2.898 20 0 BFADLP Cc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000178433630 179269022 /nfs/dbraw/zinc/26/90/22/179269022.db2.gz QSTBFNZIIUVZRC-UHFFFAOYSA-N 2 2 243.354 2.714 20 0 BFADLP Cc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000178433630 179269024 /nfs/dbraw/zinc/26/90/24/179269024.db2.gz QSTBFNZIIUVZRC-UHFFFAOYSA-N 2 2 243.354 2.714 20 0 BFADLP C[C@@H]([NH2+][C@H](CC[NH3+])C(F)F)C1CCCCC1 ZINC000414983086 323152385 /nfs/dbraw/zinc/15/23/85/323152385.db2.gz BLJINVVOTKIPLW-MWLCHTKSSA-N 2 2 234.334 2.527 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868394 347708267 /nfs/dbraw/zinc/70/82/67/347708267.db2.gz ZEFDNOFTTYKKFM-CYBMUJFWSA-N 2 2 221.348 2.566 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591868394 347708269 /nfs/dbraw/zinc/70/82/69/347708269.db2.gz ZEFDNOFTTYKKFM-CYBMUJFWSA-N 2 2 221.348 2.566 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037157765 179323170 /nfs/dbraw/zinc/32/31/70/179323170.db2.gz IVWHSBZSKNKXCU-ZIAGYGMSSA-N 2 2 243.354 2.931 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154601607 179337127 /nfs/dbraw/zinc/33/71/27/179337127.db2.gz SGWCFTBQLUFOKR-UONOGXRCSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154601607 179337130 /nfs/dbraw/zinc/33/71/30/179337130.db2.gz SGWCFTBQLUFOKR-UONOGXRCSA-N 2 2 232.371 2.740 20 0 BFADLP CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000082594618 347997654 /nfs/dbraw/zinc/99/76/54/347997654.db2.gz VNAHMBZKTKQWAR-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000082594618 347997656 /nfs/dbraw/zinc/99/76/56/347997656.db2.gz VNAHMBZKTKQWAR-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP C[C@H]1CC([NH2+]CC(C)(C)[NH+](C)C)C[C@H](C)C1 ZINC000082829489 348820668 /nfs/dbraw/zinc/82/06/68/348820668.db2.gz VTMYWPLXHRBBMB-VXGBXAGGSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000070600274 350027145 /nfs/dbraw/zinc/02/71/45/350027145.db2.gz YWAZGUGDRCGURX-DTWKUNHWSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)s1 ZINC000070600274 350027150 /nfs/dbraw/zinc/02/71/50/350027150.db2.gz YWAZGUGDRCGURX-DTWKUNHWSA-N 2 2 244.791 2.713 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H](C)CC1CC1)[NH+](C)C ZINC000131875030 191017303 /nfs/dbraw/zinc/01/73/03/191017303.db2.gz UEINIBAUSMZYGE-OCCSQVGLSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C)CC1CC1)[NH+](C)C ZINC000131874850 191017352 /nfs/dbraw/zinc/01/73/52/191017352.db2.gz UEINIBAUSMZYGE-GXTWGEPZSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C1CCCC1 ZINC000020186603 180103078 /nfs/dbraw/zinc/10/30/78/180103078.db2.gz QKIVQAMZCMJYRI-UHFFFAOYSA-N 2 2 243.354 2.877 20 0 BFADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]CC(C)C ZINC000048436721 180104136 /nfs/dbraw/zinc/10/41/36/180104136.db2.gz QPDPRICPMLCIJT-UHFFFAOYSA-N 2 2 245.370 2.980 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@@H]1C)[NH+](C)C ZINC000083390065 350193583 /nfs/dbraw/zinc/19/35/83/350193583.db2.gz KARCXWHETZNROE-BFHYXJOUSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](CC(C)C)C(C)C ZINC000042593452 191066390 /nfs/dbraw/zinc/06/63/90/191066390.db2.gz CEHPEWRKDKEHIG-ZDUSSCGKSA-N 2 2 214.397 2.726 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](CC(C)C)C(C)C ZINC000042593452 191066392 /nfs/dbraw/zinc/06/63/92/191066392.db2.gz CEHPEWRKDKEHIG-ZDUSSCGKSA-N 2 2 214.397 2.726 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000252089818 538071067 /nfs/dbraw/zinc/07/10/67/538071067.db2.gz DKUGIEDRGLBLCM-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000252089818 538071071 /nfs/dbraw/zinc/07/10/71/538071071.db2.gz DKUGIEDRGLBLCM-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cscn1 ZINC000127824400 191086156 /nfs/dbraw/zinc/08/61/56/191086156.db2.gz DWVMUTVPOYFIGU-LLVKDONJSA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cscn1 ZINC000127824400 191086159 /nfs/dbraw/zinc/08/61/59/191086159.db2.gz DWVMUTVPOYFIGU-LLVKDONJSA-N 2 2 241.404 2.524 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427873591 191098307 /nfs/dbraw/zinc/09/83/07/191098307.db2.gz OHQXJSCUNJMRGD-CHWSQXEVSA-N 2 2 235.375 2.756 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000427877800 191098946 /nfs/dbraw/zinc/09/89/46/191098946.db2.gz OZYDFYBNEIHQSN-RQJABVFESA-N 2 2 247.386 2.612 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427890636 191099312 /nfs/dbraw/zinc/09/93/12/191099312.db2.gz JMDLOWYMGGKMGD-IHRRRGAJSA-N 2 2 247.386 2.612 20 0 BFADLP C[C@@H](CC1CC1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000132357007 191101718 /nfs/dbraw/zinc/10/17/18/191101718.db2.gz KLDJABFMENNPOR-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CCC(CC)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000133375528 191106203 /nfs/dbraw/zinc/10/62/03/191106203.db2.gz MINVBARZARHUBH-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP CCC(CC)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000133375528 191106205 /nfs/dbraw/zinc/10/62/05/191106205.db2.gz MINVBARZARHUBH-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccoc1 ZINC000577482246 365964182 /nfs/dbraw/zinc/96/41/82/365964182.db2.gz VEUUMHYPFVCNDW-SMDDNHRTSA-N 2 2 230.311 2.630 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000070558527 350537986 /nfs/dbraw/zinc/53/79/86/350537986.db2.gz BZBYKPUMCXVPGX-UONOGXRCSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH+](C)[C@H](C[NH2+]CC(C)(C)C)Cc1ccccc1 ZINC000237004305 351267198 /nfs/dbraw/zinc/26/71/98/351267198.db2.gz IXWPQLFGIDGEGR-HNNXBMFYSA-N 2 2 248.414 2.795 20 0 BFADLP CC(C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000258235155 535169569 /nfs/dbraw/zinc/16/95/69/535169569.db2.gz LPJDFOFNXWKNEB-CYBMUJFWSA-N 2 2 247.386 2.807 20 0 BFADLP CC(C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000258235155 535169573 /nfs/dbraw/zinc/16/95/73/535169573.db2.gz LPJDFOFNXWKNEB-CYBMUJFWSA-N 2 2 247.386 2.807 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000284325548 351995503 /nfs/dbraw/zinc/99/55/03/351995503.db2.gz MANRYAJXUJROFP-CYBMUJFWSA-N 2 2 243.354 2.655 20 0 BFADLP CC[NH+]1CCC([NH2+][C@H](C)c2cc(C)ccn2)CC1 ZINC000285534887 352049058 /nfs/dbraw/zinc/04/90/58/352049058.db2.gz FRKPSIBKDMTRLK-CYBMUJFWSA-N 2 2 247.386 2.525 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H]1CCC12CCC2)[NH+](C)C ZINC000337385838 187670878 /nfs/dbraw/zinc/67/08/78/187670878.db2.gz HQFQMPVFOXWBGM-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(CC[NH2+]C[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000638576296 352406703 /nfs/dbraw/zinc/40/67/03/352406703.db2.gz XHRREMGNWZZNGL-CQSZACIVSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccc(CC[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000638576296 352406708 /nfs/dbraw/zinc/40/67/08/352406708.db2.gz XHRREMGNWZZNGL-CQSZACIVSA-N 2 2 246.398 2.610 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000453193374 352465460 /nfs/dbraw/zinc/46/54/60/352465460.db2.gz MFAPRMZFXDRDED-QKGCVVFFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000453193374 352465466 /nfs/dbraw/zinc/46/54/66/352465466.db2.gz MFAPRMZFXDRDED-QKGCVVFFSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000342629901 535183310 /nfs/dbraw/zinc/18/33/10/535183310.db2.gz CIZQGXFHFSVLBT-CQSZACIVSA-N 2 2 243.354 2.955 20 0 BFADLP CC(C)[C@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000342629901 535183315 /nfs/dbraw/zinc/18/33/15/535183315.db2.gz CIZQGXFHFSVLBT-CQSZACIVSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000334217392 352817892 /nfs/dbraw/zinc/81/78/92/352817892.db2.gz WPOZNPMZRMKYQH-ONGXEEELSA-N 2 2 247.367 2.679 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000334217392 352817894 /nfs/dbraw/zinc/81/78/94/352817894.db2.gz WPOZNPMZRMKYQH-ONGXEEELSA-N 2 2 247.367 2.679 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000164514159 353066312 /nfs/dbraw/zinc/06/63/12/353066312.db2.gz LVEGSBFYOPVBHG-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000164514159 353066313 /nfs/dbraw/zinc/06/63/13/353066313.db2.gz LVEGSBFYOPVBHG-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP c1ccc(NCCC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)[nH+]c1 ZINC000638873497 353043891 /nfs/dbraw/zinc/04/38/91/353043891.db2.gz IHASPQMJNCICPS-BTTYYORXSA-N 2 2 245.370 2.519 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000300740983 188000698 /nfs/dbraw/zinc/00/06/98/188000698.db2.gz AWXLEDHOIBGPTH-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CCCn1cc[nH+]c1 ZINC000300984475 188001857 /nfs/dbraw/zinc/00/18/57/188001857.db2.gz USPFEOZWYZVZQW-ZDUSSCGKSA-N 2 2 223.364 2.545 20 0 BFADLP CC[NH+](CC)CCC[NH2+]Cc1ccc(Cl)o1 ZINC000037487031 358474528 /nfs/dbraw/zinc/47/45/28/358474528.db2.gz BRPVACOXGUMQCK-UHFFFAOYSA-N 2 2 244.766 2.755 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000290064104 188036092 /nfs/dbraw/zinc/03/60/92/188036092.db2.gz HOEZUNCMMXPSRL-GFCCVEGCSA-N 2 2 229.327 2.613 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000300967176 188043369 /nfs/dbraw/zinc/04/33/69/188043369.db2.gz RROYJHXXGYKFSF-CHWSQXEVSA-N 2 2 223.364 2.543 20 0 BFADLP CC(C)=CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000192337492 188004840 /nfs/dbraw/zinc/00/48/40/188004840.db2.gz PWGMGDSVTKNBPS-HZPDHXFCSA-N 2 2 244.382 2.988 20 0 BFADLP CC(C)=CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000192337492 188004841 /nfs/dbraw/zinc/00/48/41/188004841.db2.gz PWGMGDSVTKNBPS-HZPDHXFCSA-N 2 2 244.382 2.988 20 0 BFADLP CCCc1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000346098381 188050920 /nfs/dbraw/zinc/05/09/20/188050920.db2.gz QMWGZIDKVUYQTB-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CCCc1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000346098381 188050921 /nfs/dbraw/zinc/05/09/21/188050921.db2.gz QMWGZIDKVUYQTB-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@H](C)C1 ZINC000336379480 188056300 /nfs/dbraw/zinc/05/63/00/188056300.db2.gz LRMFDXCLOKMGAH-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@H](C)C1 ZINC000336379480 188056302 /nfs/dbraw/zinc/05/63/02/188056302.db2.gz LRMFDXCLOKMGAH-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@H](C)C1 ZINC000336379480 188056304 /nfs/dbraw/zinc/05/63/04/188056304.db2.gz LRMFDXCLOKMGAH-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@H](C)C1 ZINC000336379480 188056306 /nfs/dbraw/zinc/05/63/06/188056306.db2.gz LRMFDXCLOKMGAH-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)C[C@@H](C[NH2+]C1CCCCC1)[NH+](C)C ZINC000020201700 188232554 /nfs/dbraw/zinc/23/25/54/188232554.db2.gz VYTUNAWBXLAFIX-AWEZNQCLSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506303 188282369 /nfs/dbraw/zinc/28/23/69/188282369.db2.gz POJCFVRYPJFFNI-AWEZNQCLSA-N 2 2 243.354 2.932 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC12CCC2 ZINC000337410450 188362436 /nfs/dbraw/zinc/36/24/36/188362436.db2.gz VTEKEXSHWOAQTR-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CC[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000133136437 353399080 /nfs/dbraw/zinc/39/90/80/353399080.db2.gz SHKYDUFXIURSFZ-KGLIPLIRSA-N 2 2 232.371 2.855 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(C)(C)C1 ZINC000336777996 353509066 /nfs/dbraw/zinc/50/90/66/353509066.db2.gz KBPBUXPBFPEPOT-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(C)(C)C1 ZINC000336777996 353509068 /nfs/dbraw/zinc/50/90/68/353509068.db2.gz KBPBUXPBFPEPOT-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC1(C)C ZINC000336780151 353567332 /nfs/dbraw/zinc/56/73/32/353567332.db2.gz QOSCBBHDGKERAH-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC1(C)C ZINC000336780151 353567335 /nfs/dbraw/zinc/56/73/35/353567335.db2.gz QOSCBBHDGKERAH-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000336780150 353567486 /nfs/dbraw/zinc/56/74/86/353567486.db2.gz QOSCBBHDGKERAH-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000336780150 353567488 /nfs/dbraw/zinc/56/74/88/353567488.db2.gz QOSCBBHDGKERAH-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+](CCCn1cc[nH+]c1)CC(C)C ZINC000343314875 353634092 /nfs/dbraw/zinc/63/40/92/353634092.db2.gz OYPKEFXCSYAOAJ-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CCC[N@@H+](CCCn1cc[nH+]c1)CC(C)C ZINC000343314875 353634095 /nfs/dbraw/zinc/63/40/95/353634095.db2.gz OYPKEFXCSYAOAJ-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CCC1(CC)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000343321705 353683138 /nfs/dbraw/zinc/68/31/38/353683138.db2.gz OLLNMEMFXMUFFZ-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CCC1(CC)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000343321705 353683143 /nfs/dbraw/zinc/68/31/43/353683143.db2.gz OLLNMEMFXMUFFZ-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CC(C)(C)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343322691 353692409 /nfs/dbraw/zinc/69/24/09/353692409.db2.gz RXYGYMVUIWYQSU-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)(C)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343322691 353692411 /nfs/dbraw/zinc/69/24/11/353692411.db2.gz RXYGYMVUIWYQSU-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000232770812 353760764 /nfs/dbraw/zinc/76/07/64/353760764.db2.gz GFSRVVSAQZMCMA-OAHLLOKOSA-N 2 2 232.371 2.652 20 0 BFADLP CC1(C)C[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344148648 354154630 /nfs/dbraw/zinc/15/46/30/354154630.db2.gz DLIUWKPFZHOTLQ-GFCCVEGCSA-N 2 2 247.367 2.822 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000344323673 354246783 /nfs/dbraw/zinc/24/67/83/354246783.db2.gz JFINMVZVCOHHPJ-CBBWQLFWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000344323673 354246784 /nfs/dbraw/zinc/24/67/84/354246784.db2.gz JFINMVZVCOHHPJ-CBBWQLFWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1C ZINC000344328121 354225004 /nfs/dbraw/zinc/22/50/04/354225004.db2.gz QHRXKDKXZVHLNP-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1C ZINC000344328121 354225007 /nfs/dbraw/zinc/22/50/07/354225007.db2.gz QHRXKDKXZVHLNP-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344329476 354225677 /nfs/dbraw/zinc/22/56/77/354225677.db2.gz SEWCOGZXGZPRDI-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344329476 354225678 /nfs/dbraw/zinc/22/56/78/354225678.db2.gz SEWCOGZXGZPRDI-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP CCCC[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000379437052 358486691 /nfs/dbraw/zinc/48/66/91/358486691.db2.gz HYGFGYZNUWPUHM-CQSZACIVSA-N 2 2 224.392 2.807 20 0 BFADLP CCCC[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000379437052 358486693 /nfs/dbraw/zinc/48/66/93/358486693.db2.gz HYGFGYZNUWPUHM-CQSZACIVSA-N 2 2 224.392 2.807 20 0 BFADLP C[C@@H](C[NH2+]CC1CCCCC1)Cn1cc[nH+]c1 ZINC000178895246 366177719 /nfs/dbraw/zinc/17/77/19/366177719.db2.gz OIJHZZWAMHWEMD-ZDUSSCGKSA-N 2 2 235.375 2.689 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000334685308 354431644 /nfs/dbraw/zinc/43/16/44/354431644.db2.gz LMYYQXAGCFPUST-QWRGUYRKSA-N 2 2 245.326 2.519 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000334685308 354431648 /nfs/dbraw/zinc/43/16/48/354431648.db2.gz LMYYQXAGCFPUST-QWRGUYRKSA-N 2 2 245.326 2.519 20 0 BFADLP Cc1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)o1 ZINC000334721772 354521769 /nfs/dbraw/zinc/52/17/69/354521769.db2.gz YLVRUEQMFCQARE-UHFFFAOYSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)o1 ZINC000334721772 354521772 /nfs/dbraw/zinc/52/17/72/354521772.db2.gz YLVRUEQMFCQARE-UHFFFAOYSA-N 2 2 245.326 2.691 20 0 BFADLP CC(C)([NH2+]CC[NH+]1CCCCC1)c1ccccc1 ZINC000345887779 354797863 /nfs/dbraw/zinc/79/78/63/354797863.db2.gz RQSSJPZVXJSOIT-UHFFFAOYSA-N 2 2 246.398 2.997 20 0 BFADLP CCCCC[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000346312284 354893229 /nfs/dbraw/zinc/89/32/29/354893229.db2.gz OXVJVQAOVAVOHY-AWEZNQCLSA-N 2 2 235.375 2.928 20 0 BFADLP CCCCC[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000346312284 354893232 /nfs/dbraw/zinc/89/32/32/354893232.db2.gz OXVJVQAOVAVOHY-AWEZNQCLSA-N 2 2 235.375 2.928 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000346325937 354897420 /nfs/dbraw/zinc/89/74/20/354897420.db2.gz NDIDTOZFWBKDLX-HNNXBMFYSA-N 2 2 249.402 2.950 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](CC(C)C)C1 ZINC000346325937 354897422 /nfs/dbraw/zinc/89/74/22/354897422.db2.gz NDIDTOZFWBKDLX-HNNXBMFYSA-N 2 2 249.402 2.950 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000335174441 354941619 /nfs/dbraw/zinc/94/16/19/354941619.db2.gz SBWHVJCRZLFRPQ-SMDDNHRTSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000335200390 355034033 /nfs/dbraw/zinc/03/40/33/355034033.db2.gz YSUGWDNTGLJTAH-OCCSQVGLSA-N 2 2 241.338 2.549 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC23CCC(CC2)C3)C[N@@H+]1C1CC1 ZINC000346803052 355108963 /nfs/dbraw/zinc/10/89/63/355108963.db2.gz JIFLWJKSQZGZFE-PGOFDVKTSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC23CCC(CC2)C3)C[N@H+]1C1CC1 ZINC000346803052 355108967 /nfs/dbraw/zinc/10/89/67/355108967.db2.gz JIFLWJKSQZGZFE-PGOFDVKTSA-N 2 2 248.414 2.782 20 0 BFADLP COc1ccccc1[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000346848888 355137981 /nfs/dbraw/zinc/13/79/81/355137981.db2.gz OQMWEFIUEIVALH-ZDUSSCGKSA-N 2 2 248.370 2.569 20 0 BFADLP COc1ccccc1[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000346848888 355137985 /nfs/dbraw/zinc/13/79/85/355137985.db2.gz OQMWEFIUEIVALH-ZDUSSCGKSA-N 2 2 248.370 2.569 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414128651 191437162 /nfs/dbraw/zinc/43/71/62/191437162.db2.gz UFXDJYLGMADLAE-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414128651 191437165 /nfs/dbraw/zinc/43/71/65/191437165.db2.gz UFXDJYLGMADLAE-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000336711127 358496166 /nfs/dbraw/zinc/49/61/66/358496166.db2.gz PJALEGRTVLYUGA-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000336711127 358496167 /nfs/dbraw/zinc/49/61/67/358496167.db2.gz PJALEGRTVLYUGA-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C3CCCC3)C2)[nH]1 ZINC000335824336 355545859 /nfs/dbraw/zinc/54/58/59/355545859.db2.gz QABPBMDVWAFTLB-LLVKDONJSA-N 2 2 219.332 2.532 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+](C3CCCC3)C2)[nH]1 ZINC000335824336 355545860 /nfs/dbraw/zinc/54/58/60/355545860.db2.gz QABPBMDVWAFTLB-LLVKDONJSA-N 2 2 219.332 2.532 20 0 BFADLP C[C@@H]1CC[N@H+](CC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000335817292 355507717 /nfs/dbraw/zinc/50/77/17/355507717.db2.gz REVLCLMCINODIZ-TZMCWYRMSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000335817292 355507720 /nfs/dbraw/zinc/50/77/20/355507720.db2.gz REVLCLMCINODIZ-TZMCWYRMSA-N 2 2 233.359 2.566 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H](C3CC3)C2)[nH+]1 ZINC000335846665 355590038 /nfs/dbraw/zinc/59/00/38/355590038.db2.gz QNDBMUKZVYBVJT-CYBMUJFWSA-N 2 2 241.338 2.566 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CC[C@@H](C3CC3)C2)[nH+]1 ZINC000335846665 355590041 /nfs/dbraw/zinc/59/00/41/355590041.db2.gz QNDBMUKZVYBVJT-CYBMUJFWSA-N 2 2 241.338 2.566 20 0 BFADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639302249 355647054 /nfs/dbraw/zinc/64/70/54/355647054.db2.gz KVBQISOEVVZTGI-XFIYOXNOSA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639302249 355647055 /nfs/dbraw/zinc/64/70/55/355647055.db2.gz KVBQISOEVVZTGI-XFIYOXNOSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000336009754 134050200 /nfs/dbraw/zinc/05/02/00/134050200.db2.gz BNYAYXUIXRSGIE-OLZOCXBDSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000336009754 134050201 /nfs/dbraw/zinc/05/02/01/134050201.db2.gz BNYAYXUIXRSGIE-OLZOCXBDSA-N 2 2 233.359 2.525 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166877228 355860707 /nfs/dbraw/zinc/86/07/07/355860707.db2.gz XMDFKVWXRPPNOA-KBPBESRZSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166877228 355860712 /nfs/dbraw/zinc/86/07/12/355860712.db2.gz XMDFKVWXRPPNOA-KBPBESRZSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)[C@H](C)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000167452198 356006861 /nfs/dbraw/zinc/00/68/61/356006861.db2.gz SIPVJKHPNJMLNM-MJBXVCDLSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)[C@H](C)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000167452198 356006864 /nfs/dbraw/zinc/00/68/64/356006864.db2.gz SIPVJKHPNJMLNM-MJBXVCDLSA-N 2 2 226.408 2.883 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3CC34CC4)n2c1 ZINC000418097010 191968629 /nfs/dbraw/zinc/96/86/29/191968629.db2.gz NGSHRZVRFVEZIS-LBPRGKRZSA-N 2 2 241.338 2.532 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000192391202 356183506 /nfs/dbraw/zinc/18/35/06/356183506.db2.gz LYGSLPKUHSCTQQ-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000192391202 356183509 /nfs/dbraw/zinc/18/35/09/356183509.db2.gz LYGSLPKUHSCTQQ-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CCc1ccccc1C[N@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420318499 192194962 /nfs/dbraw/zinc/19/49/62/192194962.db2.gz ODMIRDLIRKCNCA-INIZCTEOSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccccc1C[N@@H+](C1CC1)[C@H]1CC[NH2+]C1 ZINC000420318499 192194965 /nfs/dbraw/zinc/19/49/65/192194965.db2.gz ODMIRDLIRKCNCA-INIZCTEOSA-N 2 2 244.382 2.575 20 0 BFADLP CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@H](C)[NH3+] ZINC000420297819 192204847 /nfs/dbraw/zinc/20/48/47/192204847.db2.gz GGQQPWWGLLSYGR-STQMWFEESA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CC[C@@H]1CCCC[N@H+]1C[C@H](C)[NH3+] ZINC000420297819 192204849 /nfs/dbraw/zinc/20/48/49/192204849.db2.gz GGQQPWWGLLSYGR-STQMWFEESA-N 2 2 212.381 2.624 20 0 BFADLP C[C@@]1(F)C[NH2+]CC[N@@H+](CCCC2CCCC2)C1 ZINC000420329989 192214451 /nfs/dbraw/zinc/21/44/51/192214451.db2.gz KRXPAQVVEKNMNN-CQSZACIVSA-N 2 2 242.382 2.590 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349553 192216999 /nfs/dbraw/zinc/21/69/99/192216999.db2.gz DDHNMYJAEQUZBM-BPNCWPANSA-N 2 2 236.334 2.698 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420349553 192217001 /nfs/dbraw/zinc/21/70/01/192217001.db2.gz DDHNMYJAEQUZBM-BPNCWPANSA-N 2 2 236.334 2.698 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)cc1C ZINC000420357826 192218650 /nfs/dbraw/zinc/21/86/50/192218650.db2.gz DTGJYKRAKMWVEQ-IVMMDQJWSA-N 2 2 246.398 2.780 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000395647106 356364273 /nfs/dbraw/zinc/36/42/73/356364273.db2.gz ICOKTHAAXREJRQ-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000395647106 356364274 /nfs/dbraw/zinc/36/42/74/356364274.db2.gz ICOKTHAAXREJRQ-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000395647108 356364388 /nfs/dbraw/zinc/36/43/88/356364388.db2.gz ICOKTHAAXREJRQ-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000395647108 356364392 /nfs/dbraw/zinc/36/43/92/356364392.db2.gz ICOKTHAAXREJRQ-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1 ZINC000420367218 192225175 /nfs/dbraw/zinc/22/51/75/192225175.db2.gz MUVLAACELALRKA-HEHGZKQESA-N 2 2 246.398 2.725 20 0 BFADLP Cc1c2ccccc2oc1[C@@H]([NH2+]CC[NH3+])C(C)C ZINC000420405471 192238866 /nfs/dbraw/zinc/23/88/66/192238866.db2.gz MYFFQPOENHCSTP-AWEZNQCLSA-N 2 2 246.354 2.987 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(F)cc1F ZINC000420412090 192239724 /nfs/dbraw/zinc/23/97/24/192239724.db2.gz SBLKKZKKPOFPAQ-TVQRCGJNSA-N 2 2 242.313 2.743 20 0 BFADLP C[NH2+]CCC[NH2+][C@H](C)c1c(F)cccc1Cl ZINC000420419249 192240476 /nfs/dbraw/zinc/24/04/76/192240476.db2.gz XKOZODNGYWYSBG-SECBINFHSA-N 2 2 244.741 2.739 20 0 BFADLP C[NH2+]CCC[NH2+][C@@H](C)c1c(F)cccc1Cl ZINC000420419251 192240923 /nfs/dbraw/zinc/24/09/23/192240923.db2.gz XKOZODNGYWYSBG-VIFPVBQESA-N 2 2 244.741 2.739 20 0 BFADLP C[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783209 202034735 /nfs/dbraw/zinc/03/47/35/202034735.db2.gz NITUYKHUTFWAJT-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783209 202034738 /nfs/dbraw/zinc/03/47/38/202034738.db2.gz NITUYKHUTFWAJT-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449783207 202035013 /nfs/dbraw/zinc/03/50/13/202035013.db2.gz NITUYKHUTFWAJT-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449783207 202035015 /nfs/dbraw/zinc/03/50/15/202035015.db2.gz NITUYKHUTFWAJT-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC2(C1)CCCCC2 ZINC000421324945 192317751 /nfs/dbraw/zinc/31/77/51/192317751.db2.gz IYQCJCAGWDKYQA-ZDUSSCGKSA-N 2 2 247.386 2.974 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000342690524 535326670 /nfs/dbraw/zinc/32/66/70/535326670.db2.gz RVPADTYFLBVASY-CABCVRRESA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000342690524 535326674 /nfs/dbraw/zinc/32/66/74/535326674.db2.gz RVPADTYFLBVASY-CABCVRRESA-N 2 2 238.419 2.983 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@H](F)C2)c[nH+]1 ZINC000582234270 356637155 /nfs/dbraw/zinc/63/71/55/356637155.db2.gz ZLGNSKPQJNXPMO-UONOGXRCSA-N 2 2 236.334 2.803 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000450467478 202175917 /nfs/dbraw/zinc/17/59/17/202175917.db2.gz LCWRTGIEDJZMJI-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)[C@@H]1C ZINC000450467478 202175920 /nfs/dbraw/zinc/17/59/20/202175920.db2.gz LCWRTGIEDJZMJI-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000450467478 202175922 /nfs/dbraw/zinc/17/59/22/202175922.db2.gz LCWRTGIEDJZMJI-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000450467478 202175926 /nfs/dbraw/zinc/17/59/26/202175926.db2.gz LCWRTGIEDJZMJI-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC[C@@H]1CC[N@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450484039 202180476 /nfs/dbraw/zinc/18/04/76/202180476.db2.gz KBGHIMLBWQTHJH-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@@H]1CC[N@@H+](C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450484039 202180479 /nfs/dbraw/zinc/18/04/79/202180479.db2.gz KBGHIMLBWQTHJH-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@@H]1CC[NH+](C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450484039 202180482 /nfs/dbraw/zinc/18/04/82/202180482.db2.gz KBGHIMLBWQTHJH-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@@H]1CC[NH+](C[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450484039 202180485 /nfs/dbraw/zinc/18/04/85/202180485.db2.gz KBGHIMLBWQTHJH-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP [NH3+]CC[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000423186425 192615787 /nfs/dbraw/zinc/61/57/87/192615787.db2.gz OCIDBDHBFPAIEH-AWEZNQCLSA-N 2 2 236.334 2.605 20 0 BFADLP CCC1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000020126751 356998736 /nfs/dbraw/zinc/99/87/36/356998736.db2.gz ODBFPTYFWVTJES-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000389574144 356993596 /nfs/dbraw/zinc/99/35/96/356993596.db2.gz WUTUGZOTCFJBQK-NRXISQOPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000389574144 356993598 /nfs/dbraw/zinc/99/35/98/356993598.db2.gz WUTUGZOTCFJBQK-NRXISQOPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362914208 356950754 /nfs/dbraw/zinc/95/07/54/356950754.db2.gz RXHAJXALGJUTFP-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362914208 356950757 /nfs/dbraw/zinc/95/07/57/356950757.db2.gz RXHAJXALGJUTFP-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154558271 538766968 /nfs/dbraw/zinc/76/69/68/538766968.db2.gz HTYINFHPMDWUPG-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154558271 538766976 /nfs/dbraw/zinc/76/69/76/538766976.db2.gz HTYINFHPMDWUPG-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154558478 538767065 /nfs/dbraw/zinc/76/70/65/538767065.db2.gz HTYINFHPMDWUPG-RRFJBIMHSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154558478 538767074 /nfs/dbraw/zinc/76/70/74/538767074.db2.gz HTYINFHPMDWUPG-RRFJBIMHSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(F)c1 ZINC000020293323 357004332 /nfs/dbraw/zinc/00/43/32/357004332.db2.gz CEIXLUPCXSSQSL-CQSZACIVSA-N 2 2 238.350 2.631 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(F)c1 ZINC000020293323 357004338 /nfs/dbraw/zinc/00/43/38/357004338.db2.gz CEIXLUPCXSSQSL-CQSZACIVSA-N 2 2 238.350 2.631 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000423244671 192649249 /nfs/dbraw/zinc/64/92/49/192649249.db2.gz LRUWBKCRYUVLLO-NSHDSACASA-N 2 2 238.400 2.669 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)o1 ZINC000423271809 192665214 /nfs/dbraw/zinc/66/52/14/192665214.db2.gz YFBNTVZSBCAQKT-VXGBXAGGSA-N 2 2 238.375 2.866 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CCCCn1cc[nH+]c1 ZINC000393896014 357306043 /nfs/dbraw/zinc/30/60/43/357306043.db2.gz WYOKGALCTVQTDS-CQSZACIVSA-N 2 2 237.391 2.935 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ncccc1CC ZINC000423296740 192686019 /nfs/dbraw/zinc/68/60/19/192686019.db2.gz HPOQKXYCHNTBIT-JSGCOSHPSA-N 2 2 249.402 2.812 20 0 BFADLP CC[C@]1(C(C)C)C[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000582497662 357327439 /nfs/dbraw/zinc/32/74/39/357327439.db2.gz AICRWVKHQIPQKM-ZIAGYGMSSA-N 2 2 235.375 2.643 20 0 BFADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)C(C)C ZINC000582855866 357421690 /nfs/dbraw/zinc/42/16/90/357421690.db2.gz FLSMKWLPPRIJGN-UHFFFAOYSA-N 2 2 231.343 2.955 20 0 BFADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)C(C)C ZINC000582855866 357421695 /nfs/dbraw/zinc/42/16/95/357421695.db2.gz FLSMKWLPPRIJGN-UHFFFAOYSA-N 2 2 231.343 2.955 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC12CCCC2)[N@H+](C)C1CC1 ZINC000189113940 357615613 /nfs/dbraw/zinc/61/56/13/357615613.db2.gz DRGGZMHQQAZERE-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC12CCCC2)[N@@H+](C)C1CC1 ZINC000189113940 357615615 /nfs/dbraw/zinc/61/56/15/357615615.db2.gz DRGGZMHQQAZERE-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP CCCc1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1C ZINC000233390592 357719152 /nfs/dbraw/zinc/71/91/52/357719152.db2.gz ZJXDGKSZRBSPQF-ZDUSSCGKSA-N 2 2 235.375 2.710 20 0 BFADLP CCCc1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1C ZINC000233390592 357719155 /nfs/dbraw/zinc/71/91/55/357719155.db2.gz ZJXDGKSZRBSPQF-ZDUSSCGKSA-N 2 2 235.375 2.710 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000167330301 535368497 /nfs/dbraw/zinc/36/84/97/535368497.db2.gz ZNCDLXPLVWSUCW-QWHCGFSZSA-N 2 2 212.381 2.661 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000235416600 357868405 /nfs/dbraw/zinc/86/84/05/357868405.db2.gz SPWLHHVUNSNYOL-NWANDNLSSA-N 2 2 248.414 2.805 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000235416600 357868408 /nfs/dbraw/zinc/86/84/08/357868408.db2.gz SPWLHHVUNSNYOL-NWANDNLSSA-N 2 2 248.414 2.805 20 0 BFADLP CC[C@](C)([NH2+]Cc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000639929124 357903383 /nfs/dbraw/zinc/90/33/83/357903383.db2.gz REWVQXLROSNPLZ-AWEZNQCLSA-N 2 2 247.317 2.964 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000583806561 357954952 /nfs/dbraw/zinc/95/49/52/357954952.db2.gz YKYUNFGFNZOLPW-KMUNFCNLSA-N 2 2 248.345 2.543 20 0 BFADLP CC1(C)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180201798 366395235 /nfs/dbraw/zinc/39/52/35/366395235.db2.gz OUKKHOFSBWLXRB-UHFFFAOYSA-N 2 2 229.327 2.566 20 0 BFADLP CC1(C)CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180201798 366395245 /nfs/dbraw/zinc/39/52/45/366395245.db2.gz OUKKHOFSBWLXRB-UHFFFAOYSA-N 2 2 229.327 2.566 20 0 BFADLP CCC1CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044683929 358550977 /nfs/dbraw/zinc/55/09/77/358550977.db2.gz FCOJUZAUCFCZEI-RUXDESIVSA-N 2 2 236.403 2.782 20 0 BFADLP CCC1CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044683929 358550980 /nfs/dbraw/zinc/55/09/80/358550980.db2.gz FCOJUZAUCFCZEI-RUXDESIVSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000044686605 358552195 /nfs/dbraw/zinc/55/21/95/358552195.db2.gz RIYNHTRELFOTOR-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000044686605 358552197 /nfs/dbraw/zinc/55/21/97/358552197.db2.gz RIYNHTRELFOTOR-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)C1CCC(C)CC1 ZINC000042488237 358524600 /nfs/dbraw/zinc/52/46/00/358524600.db2.gz CLDYQOSRHXKIDO-ROKHWSDSSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C1CCC(C)CC1 ZINC000042488237 358524602 /nfs/dbraw/zinc/52/46/02/358524602.db2.gz CLDYQOSRHXKIDO-ROKHWSDSSA-N 2 2 226.408 2.870 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000049328124 358682601 /nfs/dbraw/zinc/68/26/01/358682601.db2.gz AKMPGZLKQOQMJB-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000132869191 358737641 /nfs/dbraw/zinc/73/76/41/358737641.db2.gz LXEFFKVYZMBCEE-GOEBONIOSA-N 2 2 248.414 2.793 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000132855718 358737927 /nfs/dbraw/zinc/73/79/27/358737927.db2.gz ZENOPBHRWKTXKD-SCRDCRAPSA-N 2 2 224.392 2.636 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000132855718 358737930 /nfs/dbraw/zinc/73/79/30/358737930.db2.gz ZENOPBHRWKTXKD-SCRDCRAPSA-N 2 2 224.392 2.636 20 0 BFADLP CCCC[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000050889909 358738748 /nfs/dbraw/zinc/73/87/48/358738748.db2.gz PRHMRNKLMROSKI-OCCSQVGLSA-N 2 2 220.360 2.855 20 0 BFADLP CC(C)CCC[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000053343781 358825153 /nfs/dbraw/zinc/82/51/53/358825153.db2.gz XUEVFRZSTNMMRF-AWEZNQCLSA-N 2 2 226.408 2.744 20 0 BFADLP CC(C)CCC[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000053343781 358825157 /nfs/dbraw/zinc/82/51/57/358825157.db2.gz XUEVFRZSTNMMRF-AWEZNQCLSA-N 2 2 226.408 2.744 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000054077444 358851054 /nfs/dbraw/zinc/85/10/54/358851054.db2.gz UXIDDBYSYIZRQQ-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000054077444 358851058 /nfs/dbraw/zinc/85/10/58/358851058.db2.gz UXIDDBYSYIZRQQ-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CCCC1 ZINC000054081248 358851306 /nfs/dbraw/zinc/85/13/06/358851306.db2.gz SDDLPFLPLHERFE-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000054110480 358853247 /nfs/dbraw/zinc/85/32/47/358853247.db2.gz RGLZPYCYRBQDCQ-OAHLLOKOSA-N 2 2 234.387 2.925 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000054110480 358853251 /nfs/dbraw/zinc/85/32/51/358853251.db2.gz RGLZPYCYRBQDCQ-OAHLLOKOSA-N 2 2 234.387 2.925 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](CC(C)C)c1ccccn1 ZINC000423308982 192696608 /nfs/dbraw/zinc/69/66/08/192696608.db2.gz KMRDDQIXVBFLIS-OAHLLOKOSA-N 2 2 249.402 2.758 20 0 BFADLP Cc1ccc2cc[nH+]c(NCC[NH+](C)C)c2c1 ZINC000578317963 366503686 /nfs/dbraw/zinc/50/36/86/366503686.db2.gz HRZNZGLVQFYDJO-UHFFFAOYSA-N 2 2 229.327 2.517 20 0 BFADLP CC(C)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000071198590 359073834 /nfs/dbraw/zinc/07/38/34/359073834.db2.gz IAHFWEHCXZTXHP-DZGCQCFKSA-N 2 2 232.371 2.820 20 0 BFADLP CC(C)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000071198590 359073839 /nfs/dbraw/zinc/07/38/39/359073839.db2.gz IAHFWEHCXZTXHP-DZGCQCFKSA-N 2 2 232.371 2.820 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC=CCC1 ZINC000246435530 359084012 /nfs/dbraw/zinc/08/40/12/359084012.db2.gz NDOKFGQPYYBDLF-OAGGEKHMSA-N 2 2 248.414 2.901 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1CC=CCC1 ZINC000246435530 359084019 /nfs/dbraw/zinc/08/40/19/359084019.db2.gz NDOKFGQPYYBDLF-OAGGEKHMSA-N 2 2 248.414 2.901 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CC=CCC1 ZINC000246435530 359084023 /nfs/dbraw/zinc/08/40/23/359084023.db2.gz NDOKFGQPYYBDLF-OAGGEKHMSA-N 2 2 248.414 2.901 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC=CCC1 ZINC000246435530 359084027 /nfs/dbraw/zinc/08/40/27/359084027.db2.gz NDOKFGQPYYBDLF-OAGGEKHMSA-N 2 2 248.414 2.901 20 0 BFADLP Cl/C=C/C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835826 359226018 /nfs/dbraw/zinc/22/60/18/359226018.db2.gz QRCNEHHQSMTDCM-BPJJOFIESA-N 2 2 242.794 2.547 20 0 BFADLP Cl/C=C/C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835826 359226020 /nfs/dbraw/zinc/22/60/20/359226020.db2.gz QRCNEHHQSMTDCM-BPJJOFIESA-N 2 2 242.794 2.547 20 0 BFADLP CCCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247697224 359241685 /nfs/dbraw/zinc/24/16/85/359241685.db2.gz UBSROFVAKHINHS-STQMWFEESA-N 2 2 221.348 2.566 20 0 BFADLP CCCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247697224 359241689 /nfs/dbraw/zinc/24/16/89/359241689.db2.gz UBSROFVAKHINHS-STQMWFEESA-N 2 2 221.348 2.566 20 0 BFADLP Cc1ccc2cc([C@@H](C)[NH2+][C@@H](C)C[NH3+])oc2c1 ZINC000423397812 192741333 /nfs/dbraw/zinc/74/13/33/192741333.db2.gz ONEDRIINGBPOOV-WDEREUQCSA-N 2 2 232.327 2.739 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2sccc21 ZINC000423393031 192764983 /nfs/dbraw/zinc/76/49/83/192764983.db2.gz YBHMZYPCHODYSX-PWSUYJOCSA-N 2 2 238.400 2.713 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CCCCn1cc[nH+]c1 ZINC000393896013 359686694 /nfs/dbraw/zinc/68/66/94/359686694.db2.gz WYOKGALCTVQTDS-AWEZNQCLSA-N 2 2 237.391 2.935 20 0 BFADLP C[C@]1(F)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000451113350 202353211 /nfs/dbraw/zinc/35/32/11/202353211.db2.gz JMYXSNVGWKFDFE-AWEZNQCLSA-N 2 2 242.382 2.686 20 0 BFADLP C[C@]1(F)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000451113350 202353214 /nfs/dbraw/zinc/35/32/14/202353214.db2.gz JMYXSNVGWKFDFE-AWEZNQCLSA-N 2 2 242.382 2.686 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H](C)CCC(C)C)n1C ZINC000578884397 366667120 /nfs/dbraw/zinc/66/71/20/366667120.db2.gz MEOMNMGIDLOMHD-LLVKDONJSA-N 2 2 223.364 2.643 20 0 BFADLP C([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCCC1 ZINC000089560090 360026612 /nfs/dbraw/zinc/02/66/12/360026612.db2.gz BXKGUDUTBQNDCG-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP C([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCCCC1 ZINC000089560090 360026615 /nfs/dbraw/zinc/02/66/15/360026615.db2.gz BXKGUDUTBQNDCG-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP C1=CC[C@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000092046551 360148871 /nfs/dbraw/zinc/14/88/71/360148871.db2.gz OVZLDWUUJIYESA-HOTGVXAUSA-N 2 2 248.414 2.903 20 0 BFADLP C1=CC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000092046551 360148876 /nfs/dbraw/zinc/14/88/76/360148876.db2.gz OVZLDWUUJIYESA-HOTGVXAUSA-N 2 2 248.414 2.903 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097928283 360382244 /nfs/dbraw/zinc/38/22/44/360382244.db2.gz YBWAEYMSUGRGJI-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097927574 360382397 /nfs/dbraw/zinc/38/23/97/360382397.db2.gz BADWLNBHNLABGL-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]([NH2+]CCC[NH+](C)C)c1cc(C)ccn1 ZINC000631560463 360976695 /nfs/dbraw/zinc/97/66/95/360976695.db2.gz CIRBUVROCDSFHN-CQSZACIVSA-N 2 2 249.402 2.773 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000629389323 361036707 /nfs/dbraw/zinc/03/67/07/361036707.db2.gz WOSUPZSNIMKLBX-NMONBKHDSA-N 2 2 248.345 2.569 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(C)s1 ZINC000629395466 361042852 /nfs/dbraw/zinc/04/28/52/361042852.db2.gz CZNKMXJEDVJGSD-NOZJJQNGSA-N 2 2 238.400 2.595 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629394159 361043724 /nfs/dbraw/zinc/04/37/24/361043724.db2.gz FWFKZPZPADKECQ-KBPBESRZSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c(C)c1 ZINC000629395667 361044928 /nfs/dbraw/zinc/04/49/28/361044928.db2.gz POXYHHTVKDTMFC-CABCVRRESA-N 2 2 246.398 2.842 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000629391093 361046086 /nfs/dbraw/zinc/04/60/86/361046086.db2.gz UXKWUULKEHCKGI-VHSXEESVSA-N 2 2 244.791 2.632 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c(C)c1 ZINC000629397314 361047735 /nfs/dbraw/zinc/04/77/35/361047735.db2.gz ZDZJIYISRWYVAO-HIFRSBDPSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000629406256 361053431 /nfs/dbraw/zinc/05/34/31/361053431.db2.gz LNUSCZGLEWRPTH-GXFFZTMASA-N 2 2 246.379 2.741 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C[NH2+]1 ZINC000629414432 361060817 /nfs/dbraw/zinc/06/08/17/361060817.db2.gz OPPAPWVYFPTIKE-SWLSCSKDSA-N 2 2 244.382 2.794 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1cccc2F ZINC000629526586 361128469 /nfs/dbraw/zinc/12/84/69/361128469.db2.gz ZMFRSHZRLBZWQZ-SOUVJXGZSA-N 2 2 248.345 2.543 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000629527360 361129641 /nfs/dbraw/zinc/12/96/41/361129641.db2.gz STVJAOPELMYLSS-ARFHVFGLSA-N 2 2 244.382 2.868 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000629527624 361133673 /nfs/dbraw/zinc/13/36/73/361133673.db2.gz ALKMBYAIERKRJN-DANNLKNASA-N 2 2 244.382 2.965 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccccc1C ZINC000629523593 361121243 /nfs/dbraw/zinc/12/12/43/361121243.db2.gz ICDJLZSVRXJXCS-VHDGCEQUSA-N 2 2 232.371 2.786 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC000629524876 361125768 /nfs/dbraw/zinc/12/57/68/361125768.db2.gz VONTWMHOTOQYIQ-AEGPPILISA-N 2 2 232.371 2.786 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000309727316 491155139 /nfs/dbraw/zinc/15/51/39/491155139.db2.gz DLHGJUVQTJDEMA-ZIAGYGMSSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000309727316 491155140 /nfs/dbraw/zinc/15/51/40/491155140.db2.gz DLHGJUVQTJDEMA-ZIAGYGMSSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000309727313 491155186 /nfs/dbraw/zinc/15/51/86/491155186.db2.gz DLHGJUVQTJDEMA-KGLIPLIRSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000309727313 491155187 /nfs/dbraw/zinc/15/51/87/491155187.db2.gz DLHGJUVQTJDEMA-KGLIPLIRSA-N 2 2 224.392 2.805 20 0 BFADLP CC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000181139030 366789183 /nfs/dbraw/zinc/78/91/83/366789183.db2.gz ZGEUUHJKNFDWQN-RWMBFGLXSA-N 2 2 221.348 2.565 20 0 BFADLP CC[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000181139030 366789188 /nfs/dbraw/zinc/78/91/88/366789188.db2.gz ZGEUUHJKNFDWQN-RWMBFGLXSA-N 2 2 221.348 2.565 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543967 361413425 /nfs/dbraw/zinc/41/34/25/361413425.db2.gz HGBOWOVFCZDHEC-DDHJSBNISA-N 2 2 244.382 2.883 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(C)c1 ZINC000629544837 361424589 /nfs/dbraw/zinc/42/45/89/361424589.db2.gz JUGAYWOYSFOFON-AEGPPILISA-N 2 2 232.371 2.786 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000629545546 361426954 /nfs/dbraw/zinc/42/69/54/361426954.db2.gz MAGJKMARDICRLZ-CFVMTHIKSA-N 2 2 232.371 2.868 20 0 BFADLP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccn1 ZINC000629547233 361430604 /nfs/dbraw/zinc/43/06/04/361430604.db2.gz IAHXNPSAIJHZBF-GUTXKFCHSA-N 2 2 247.386 2.509 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1C ZINC000629549692 361441475 /nfs/dbraw/zinc/44/14/75/361441475.db2.gz YVCJGFQFNDJNLW-VNHYZAJKSA-N 2 2 232.371 2.704 20 0 BFADLP CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccnc1 ZINC000629541854 361418321 /nfs/dbraw/zinc/41/83/21/361418321.db2.gz XJUIEENTPZOCDK-VHDGCEQUSA-N 2 2 247.386 2.509 20 0 BFADLP CCC(CC)(CC)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000381593687 361496942 /nfs/dbraw/zinc/49/69/42/361496942.db2.gz KPKAPMVOEZQAMH-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CCC(CC)(CC)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000381593687 361496948 /nfs/dbraw/zinc/49/69/48/361496948.db2.gz KPKAPMVOEZQAMH-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CCc1oc2ccccc2c1C[N@H+](CC)CC[NH3+] ZINC000629655217 361560575 /nfs/dbraw/zinc/56/05/75/361560575.db2.gz ULBKDOQNDRJROJ-UHFFFAOYSA-N 2 2 246.354 2.776 20 0 BFADLP CCc1oc2ccccc2c1C[N@@H+](CC)CC[NH3+] ZINC000629655217 361560577 /nfs/dbraw/zinc/56/05/77/361560577.db2.gz ULBKDOQNDRJROJ-UHFFFAOYSA-N 2 2 246.354 2.776 20 0 BFADLP C[NH2+]c1ccc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)cc1 ZINC000629656772 361561308 /nfs/dbraw/zinc/56/13/08/361561308.db2.gz QNJYATRZEYCNHW-FZMZJTMJSA-N 2 2 233.359 2.671 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C[NH2+]1 ZINC000629660253 361564295 /nfs/dbraw/zinc/56/42/95/361564295.db2.gz QSTDXXINPMRPOD-LRDDRELGSA-N 2 2 244.382 2.794 20 0 BFADLP CC(C)[C@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000152663106 201206053 /nfs/dbraw/zinc/20/60/53/201206053.db2.gz VJFOUIMWKIRXDL-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000163791629 361578388 /nfs/dbraw/zinc/57/83/88/361578388.db2.gz AISRTQPZFOJZPV-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000163791629 361578393 /nfs/dbraw/zinc/57/83/93/361578393.db2.gz AISRTQPZFOJZPV-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3CC[C@@H](C)C3)c[nH+]c12 ZINC000436403740 201325075 /nfs/dbraw/zinc/32/50/75/201325075.db2.gz BNHXTWQFQNNIJR-DGCLKSJQSA-N 2 2 243.354 2.921 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H]3CC[C@@H](C)C3)c[nH+]c12 ZINC000436403742 201325425 /nfs/dbraw/zinc/32/54/25/201325425.db2.gz BNHXTWQFQNNIJR-YPMHNXCESA-N 2 2 243.354 2.921 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000155955676 201375634 /nfs/dbraw/zinc/37/56/34/201375634.db2.gz NEDHMJBUQOIWRX-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000155955676 201375637 /nfs/dbraw/zinc/37/56/37/201375637.db2.gz NEDHMJBUQOIWRX-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348076441 541303317 /nfs/dbraw/zinc/30/33/17/541303317.db2.gz CZOOJWCQRWYEDA-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C[NH2+]CC[N@@H+]2CCCC(C)(C)C2)CCC1 ZINC000444009383 541309354 /nfs/dbraw/zinc/30/93/54/541309354.db2.gz NIANBAUYFZOOQI-UHFFFAOYSA-N 2 2 238.419 2.888 20 0 BFADLP CC1(C[NH2+]CC[N@H+]2CCCC(C)(C)C2)CCC1 ZINC000444009383 541309356 /nfs/dbraw/zinc/30/93/56/541309356.db2.gz NIANBAUYFZOOQI-UHFFFAOYSA-N 2 2 238.419 2.888 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182057800 366863344 /nfs/dbraw/zinc/86/33/44/366863344.db2.gz KRXOZOCMMPBZOP-OAHLLOKOSA-N 2 2 248.414 2.795 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@H](C)Cc1ccccc1 ZINC000182057800 366863349 /nfs/dbraw/zinc/86/33/49/366863349.db2.gz KRXOZOCMMPBZOP-OAHLLOKOSA-N 2 2 248.414 2.795 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000398998771 364668038 /nfs/dbraw/zinc/66/80/38/364668038.db2.gz ASESSAVOVDYDDZ-YUELXQCFSA-N 2 2 232.371 2.868 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C[NH2+]1 ZINC000399048776 364750535 /nfs/dbraw/zinc/75/05/35/364750535.db2.gz UJLAUUAWVCILCF-GXFFZTMASA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C[NH2+]1 ZINC000399048782 364751189 /nfs/dbraw/zinc/75/11/89/364751189.db2.gz UJLAUUAWVCILCF-ZWNOBZJWSA-N 2 2 238.762 2.570 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C1CCCC1 ZINC000574413526 365057643 /nfs/dbraw/zinc/05/76/43/365057643.db2.gz JHJVOQZYEMQAHM-AWEZNQCLSA-N 2 2 235.375 2.787 20 0 BFADLP [NH3+]CCCc1[nH]c2cc(Cl)c(Cl)cc2[nH+]1 ZINC000062152845 181387251 /nfs/dbraw/zinc/38/72/51/181387251.db2.gz LMYICKFKVCDAFX-UHFFFAOYSA-N 2 2 244.125 2.761 20 0 BFADLP C[C@H](CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C)CC(C)(C)C ZINC000443008405 193010122 /nfs/dbraw/zinc/01/01/22/193010122.db2.gz FVKOAXMIWFZIQQ-MCIONIFRSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@H](CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)CC(C)(C)C ZINC000443008405 193010124 /nfs/dbraw/zinc/01/01/24/193010124.db2.gz FVKOAXMIWFZIQQ-MCIONIFRSA-N 2 2 240.435 2.989 20 0 BFADLP CC(C)[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182788111 366942023 /nfs/dbraw/zinc/94/20/23/366942023.db2.gz OVJGSNOQQCCSFV-AWEZNQCLSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182788111 366942029 /nfs/dbraw/zinc/94/20/29/366942029.db2.gz OVJGSNOQQCCSFV-AWEZNQCLSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182805364 366943556 /nfs/dbraw/zinc/94/35/56/366943556.db2.gz SJELSOHICBKKCV-AWEZNQCLSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182805364 366943558 /nfs/dbraw/zinc/94/35/58/366943558.db2.gz SJELSOHICBKKCV-AWEZNQCLSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000580803335 367169693 /nfs/dbraw/zinc/16/96/93/367169693.db2.gz GWPSUMDESYNDEU-FRRDWIJNSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000580803335 367169699 /nfs/dbraw/zinc/16/96/99/367169699.db2.gz GWPSUMDESYNDEU-FRRDWIJNSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CC1(C)CC1 ZINC000381039238 367341090 /nfs/dbraw/zinc/34/10/90/367341090.db2.gz BVTIXPFLDMJMDQ-BETUJISGSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CC1(C)CC1 ZINC000381039238 367341097 /nfs/dbraw/zinc/34/10/97/367341097.db2.gz BVTIXPFLDMJMDQ-BETUJISGSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@@H]1CC[C@H]([NH2+]CC[NH+](C)C)C[C@H]1C ZINC000381121118 367352777 /nfs/dbraw/zinc/35/27/77/367352777.db2.gz IOJYOTPNCTVFTO-RDBSUJKOSA-N 2 2 226.408 2.598 20 0 BFADLP CCC1([NH2+]CCCn2cc[nH+]c2)CCCC1 ZINC000382578496 367544141 /nfs/dbraw/zinc/54/41/41/367544141.db2.gz WPVLFYXDKUQLOX-UHFFFAOYSA-N 2 2 221.348 2.586 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[NH2+]1 ZINC000399130576 367597886 /nfs/dbraw/zinc/59/78/86/367597886.db2.gz WVUMYKOZXMXMFE-WQVCFCJDSA-N 2 2 244.382 2.868 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC000399152704 367691593 /nfs/dbraw/zinc/69/15/93/367691593.db2.gz BYQPPEGBYOBGSF-GYSYKLTISA-N 2 2 236.334 2.617 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000385117841 367795955 /nfs/dbraw/zinc/79/59/55/367795955.db2.gz JUNXPHLNTFNPEL-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000385117841 367795958 /nfs/dbraw/zinc/79/59/58/367795958.db2.gz JUNXPHLNTFNPEL-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)[C@@H]1C ZINC000386217694 367932468 /nfs/dbraw/zinc/93/24/68/367932468.db2.gz HXDZPYBSUZZYEU-AVRGHOLYSA-N 2 2 244.382 2.508 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000386578951 367997388 /nfs/dbraw/zinc/99/73/88/367997388.db2.gz NZWHILJHAJKWBN-DZGCQCFKSA-N 2 2 232.371 2.615 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccs1 ZINC000399257076 368049746 /nfs/dbraw/zinc/04/97/46/368049746.db2.gz NUVKOHIXCOHXSN-MXWKQRLJSA-N 2 2 224.373 2.539 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000386883385 368031563 /nfs/dbraw/zinc/03/15/63/368031563.db2.gz MNMYASPAEWUXKG-IIAWOOMASA-N 2 2 246.398 2.753 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000386883385 368031567 /nfs/dbraw/zinc/03/15/67/368031567.db2.gz MNMYASPAEWUXKG-IIAWOOMASA-N 2 2 246.398 2.753 20 0 BFADLP Cc1scc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1C ZINC000399815801 368604725 /nfs/dbraw/zinc/60/47/25/368604725.db2.gz PTOFQQWVGVQUQI-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP Cc1scc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1C ZINC000399815801 368604733 /nfs/dbraw/zinc/60/47/33/368604733.db2.gz PTOFQQWVGVQUQI-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP Cc1scc(C[NH2+]CCCn2cc[nH+]c2)c1C ZINC000399898337 368910174 /nfs/dbraw/zinc/91/01/74/368910174.db2.gz YYQHIICLBVGMKE-UHFFFAOYSA-N 2 2 249.383 2.741 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+](C)CCC1CCCCC1 ZINC000459319297 203255706 /nfs/dbraw/zinc/25/57/06/203255706.db2.gz DDHOYPBYRWNODP-UHFFFAOYSA-N 2 2 249.402 2.865 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+](C)CCC1CCCCC1 ZINC000459319297 203255710 /nfs/dbraw/zinc/25/57/10/203255710.db2.gz DDHOYPBYRWNODP-UHFFFAOYSA-N 2 2 249.402 2.865 20 0 BFADLP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459339839 203262476 /nfs/dbraw/zinc/26/24/76/203262476.db2.gz ASTNMYLGAYDKLE-ZFWWWQNUSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459339839 203262480 /nfs/dbraw/zinc/26/24/80/203262480.db2.gz ASTNMYLGAYDKLE-ZFWWWQNUSA-N 2 2 249.402 2.863 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459483263 203288761 /nfs/dbraw/zinc/28/87/61/203288761.db2.gz YUDKUKXHVBUKEU-MOKVOYLWSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459483263 203288764 /nfs/dbraw/zinc/28/87/64/203288764.db2.gz YUDKUKXHVBUKEU-MOKVOYLWSA-N 2 2 238.419 2.885 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000459507869 203292412 /nfs/dbraw/zinc/29/24/12/203292412.db2.gz JOJOGQGDXDICNI-ZDUSSCGKSA-N 2 2 249.402 2.721 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000459507869 203292414 /nfs/dbraw/zinc/29/24/14/203292414.db2.gz JOJOGQGDXDICNI-ZDUSSCGKSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661600 203332835 /nfs/dbraw/zinc/33/28/35/203332835.db2.gz MQPFKERZKYPCQC-GFCCVEGCSA-N 2 2 235.375 2.521 20 0 BFADLP CC[C@@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000568296264 326343141 /nfs/dbraw/zinc/34/31/41/326343141.db2.gz DEIGKNNWQJFYDA-OLZOCXBDSA-N 2 2 235.375 2.644 20 0 BFADLP Cc1ccc(CCC[NH2+]CC2CC(C)C2)c[nH+]1 ZINC000621738299 370495100 /nfs/dbraw/zinc/49/51/00/370495100.db2.gz BRKPQNYEHBNQLY-UHFFFAOYSA-N 2 2 232.371 2.958 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154592347 371131149 /nfs/dbraw/zinc/13/11/49/371131149.db2.gz YJRBMEVUHUGYDJ-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154592347 371131153 /nfs/dbraw/zinc/13/11/53/371131153.db2.gz YJRBMEVUHUGYDJ-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP CC[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000623887893 371140144 /nfs/dbraw/zinc/14/01/44/371140144.db2.gz QLEVKPJHAJPSOQ-HOCLYGCPSA-N 2 2 248.414 2.938 20 0 BFADLP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154592232 371130881 /nfs/dbraw/zinc/13/08/81/371130881.db2.gz YJRBMEVUHUGYDJ-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccccc1C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154592232 371130887 /nfs/dbraw/zinc/13/08/87/371130887.db2.gz YJRBMEVUHUGYDJ-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP C/C=C/C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389881021 371179735 /nfs/dbraw/zinc/17/97/35/371179735.db2.gz ZFMBIPQVUHCMJE-AIROSISHSA-N 2 2 244.382 2.673 20 0 BFADLP C/C=C/C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389881021 371179741 /nfs/dbraw/zinc/17/97/41/371179741.db2.gz ZFMBIPQVUHCMJE-AIROSISHSA-N 2 2 244.382 2.673 20 0 BFADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101067 371306104 /nfs/dbraw/zinc/30/61/04/371306104.db2.gz HTYINFHPMDWUPG-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101067 371306108 /nfs/dbraw/zinc/30/61/08/371306108.db2.gz HTYINFHPMDWUPG-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000624270501 371452770 /nfs/dbraw/zinc/45/27/70/371452770.db2.gz YVDRNQMNERSSCH-KKUMJFAQSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000624270501 371452775 /nfs/dbraw/zinc/45/27/75/371452775.db2.gz YVDRNQMNERSSCH-KKUMJFAQSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000624315257 371478668 /nfs/dbraw/zinc/47/86/68/371478668.db2.gz ZNWAZCWBQVGRRI-NFAWXSAZSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000624315257 371478669 /nfs/dbraw/zinc/47/86/69/371478669.db2.gz ZNWAZCWBQVGRRI-NFAWXSAZSA-N 2 2 248.414 2.639 20 0 BFADLP CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000307618932 372132017 /nfs/dbraw/zinc/13/20/17/372132017.db2.gz VJAHYUKTNQTVPT-UKRRQHHQSA-N 2 2 232.371 2.649 20 0 BFADLP CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000307618932 372132020 /nfs/dbraw/zinc/13/20/20/372132020.db2.gz VJAHYUKTNQTVPT-UKRRQHHQSA-N 2 2 232.371 2.649 20 0 BFADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000039068402 372859708 /nfs/dbraw/zinc/85/97/08/372859708.db2.gz GSPKZDPOXBASOB-OAHLLOKOSA-N 2 2 246.398 2.907 20 0 BFADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000039068402 372859713 /nfs/dbraw/zinc/85/97/13/372859713.db2.gz GSPKZDPOXBASOB-OAHLLOKOSA-N 2 2 246.398 2.907 20 0 BFADLP CC1(C)CCC(C[NH2+][C@H](CC[NH3+])C(F)F)CC1 ZINC000414989811 205797136 /nfs/dbraw/zinc/79/71/36/205797136.db2.gz NJTFVAVHDGKEOU-LLVKDONJSA-N 2 2 248.361 2.775 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])oc1C ZINC000424378176 206039502 /nfs/dbraw/zinc/03/95/02/206039502.db2.gz SKHXCPQONOMZHU-RAIGVLPGSA-N 2 2 236.359 2.817 20 0 BFADLP Cc1ccccc1CCC[NH2+]C(C)(C)C[NH+](C)C ZINC000459542671 206132684 /nfs/dbraw/zinc/13/26/84/206132684.db2.gz BGGJXBCUVWQVPD-UHFFFAOYSA-N 2 2 248.414 2.857 20 0 BFADLP CCC[N@H+](Cc1cccc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071314665 169175854 /nfs/dbraw/zinc/17/58/54/169175854.db2.gz KRBZIANQNYEPRX-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[N@@H+](Cc1cccc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071314665 169175856 /nfs/dbraw/zinc/17/58/56/169175856.db2.gz KRBZIANQNYEPRX-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[N@H+](Cc1ccc(C)s1)[C@H]1CC[NH2+]C1 ZINC000070901693 169176095 /nfs/dbraw/zinc/17/60/95/169176095.db2.gz PZESKAZYCATFNW-LBPRGKRZSA-N 2 2 238.400 2.630 20 0 BFADLP CCC[N@@H+](Cc1ccc(C)s1)[C@H]1CC[NH2+]C1 ZINC000070901693 169176097 /nfs/dbraw/zinc/17/60/97/169176097.db2.gz PZESKAZYCATFNW-LBPRGKRZSA-N 2 2 238.400 2.630 20 0 BFADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179683778 169177537 /nfs/dbraw/zinc/17/75/37/169177537.db2.gz MUDUGBYYOSMVTN-UHFFFAOYSA-N 2 2 229.327 2.709 20 0 BFADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179683778 169177538 /nfs/dbraw/zinc/17/75/38/169177538.db2.gz MUDUGBYYOSMVTN-UHFFFAOYSA-N 2 2 229.327 2.709 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@H]2CC23CCCC3)[nH+]1 ZINC000336416221 183354079 /nfs/dbraw/zinc/35/40/79/183354079.db2.gz HKIBYBBUSWGGPB-ZDUSSCGKSA-N 2 2 241.338 2.757 20 0 BFADLP CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020084358 169286700 /nfs/dbraw/zinc/28/67/00/169286700.db2.gz ULMDSAYUMUNWQF-GFCCVEGCSA-N 2 2 229.327 2.933 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000336739675 169370306 /nfs/dbraw/zinc/37/03/06/169370306.db2.gz PIXLIEYGTYLBEM-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000336739675 169370307 /nfs/dbraw/zinc/37/03/07/169370307.db2.gz PIXLIEYGTYLBEM-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](CC)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000125485496 169379432 /nfs/dbraw/zinc/37/94/32/169379432.db2.gz DALPOWVDLJPZCZ-NWDGAFQWSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@@H](CC)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000125485496 169379433 /nfs/dbraw/zinc/37/94/33/169379433.db2.gz DALPOWVDLJPZCZ-NWDGAFQWSA-N 2 2 212.381 2.637 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C/C=C\c2ccccc2)n1C ZINC000517759938 383876821 /nfs/dbraw/zinc/87/68/21/383876821.db2.gz XCASREYGMMCXDE-TWGQIWQCSA-N 2 2 241.338 2.532 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[NH2+]C[C@H](C)C1 ZINC000401770785 383981300 /nfs/dbraw/zinc/98/13/00/383981300.db2.gz JIIVRHFKTLYVTA-MRVWCRGKSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000037141006 383945176 /nfs/dbraw/zinc/94/51/76/383945176.db2.gz NFAUUZSMYIOTEK-GFCCVEGCSA-N 2 2 248.370 2.865 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000070090159 384077072 /nfs/dbraw/zinc/07/70/72/384077072.db2.gz DDYBWKVNSCENFW-GFCCVEGCSA-N 2 2 249.383 2.994 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000070090160 384077468 /nfs/dbraw/zinc/07/74/68/384077468.db2.gz DDYBWKVNSCENFW-LBPRGKRZSA-N 2 2 249.383 2.994 20 0 BFADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)C(C)C ZINC000090847319 384078344 /nfs/dbraw/zinc/07/83/44/384078344.db2.gz KSDBKIKOPMDLLM-AWEZNQCLSA-N 2 2 220.360 2.957 20 0 BFADLP CCCC[C@H](CC)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309493728 384097018 /nfs/dbraw/zinc/09/70/18/384097018.db2.gz XVBGUTDEFMVYFE-RDBSUJKOSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[C@H](CC)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309493728 384097025 /nfs/dbraw/zinc/09/70/25/384097025.db2.gz XVBGUTDEFMVYFE-RDBSUJKOSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)c1[nH+]ccn1Cc1[nH+]ccn1C(F)F ZINC000070422934 384106708 /nfs/dbraw/zinc/10/67/08/384106708.db2.gz IMQFCYLWPVWEAH-UHFFFAOYSA-N 2 2 240.257 2.646 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000116386557 384130905 /nfs/dbraw/zinc/13/09/05/384130905.db2.gz LXPXRLOXHXYMTD-DZGCQCFKSA-N 2 2 234.387 2.547 20 0 BFADLP CC1=CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000560476943 384159815 /nfs/dbraw/zinc/15/98/15/384159815.db2.gz SXLUVEMZLUUDRF-QWHCGFSZSA-N 2 2 222.376 2.558 20 0 BFADLP CC1=CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000560476943 384159820 /nfs/dbraw/zinc/15/98/20/384159820.db2.gz SXLUVEMZLUUDRF-QWHCGFSZSA-N 2 2 222.376 2.558 20 0 BFADLP CC(C)[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041064100 384176815 /nfs/dbraw/zinc/17/68/15/384176815.db2.gz WNHSVOZUQYFXHZ-OAHLLOKOSA-N 2 2 243.354 2.870 20 0 BFADLP CC(C)CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CC1 ZINC000313263337 384178492 /nfs/dbraw/zinc/17/84/92/384178492.db2.gz LXZYFUMACFRQHU-OAHLLOKOSA-N 2 2 249.402 2.767 20 0 BFADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000041119194 384178593 /nfs/dbraw/zinc/17/85/93/384178593.db2.gz MWWPWQVQFKRJPP-CQSZACIVSA-N 2 2 247.317 2.763 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313264368 384180484 /nfs/dbraw/zinc/18/04/84/384180484.db2.gz FHAUYZVFPQVRJT-QWHCGFSZSA-N 2 2 235.375 2.521 20 0 BFADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000313265156 384182157 /nfs/dbraw/zinc/18/21/57/384182157.db2.gz GQTJWDAAOCWSSD-LBPRGKRZSA-N 2 2 235.375 2.521 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)s1 ZINC000041632302 384193693 /nfs/dbraw/zinc/19/36/93/384193693.db2.gz XSXFMKZQMMEFFI-NSHDSACASA-N 2 2 249.383 2.858 20 0 BFADLP c1cn(CCCC[NH2+][C@@H](C2CC2)C2CCC2)c[nH+]1 ZINC000516718742 384235396 /nfs/dbraw/zinc/23/53/96/384235396.db2.gz KGBHUYMOEXQEAB-OAHLLOKOSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000042255169 384210635 /nfs/dbraw/zinc/21/06/35/384210635.db2.gz MYHJERNMOPZTAK-AWEZNQCLSA-N 2 2 243.354 2.678 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCCC2(C)C)c1 ZINC000313292224 384221529 /nfs/dbraw/zinc/22/15/29/384221529.db2.gz HQCHTFGGBRUAKH-ZDUSSCGKSA-N 2 2 235.375 2.521 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCC3)C[N@@H+]1C1CC1 ZINC000449182060 384256087 /nfs/dbraw/zinc/25/60/87/384256087.db2.gz BPFXYJKDBRXQQL-VNHYZAJKSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CCC3)C[N@H+]1C1CC1 ZINC000449182060 384256091 /nfs/dbraw/zinc/25/60/91/384256091.db2.gz BPFXYJKDBRXQQL-VNHYZAJKSA-N 2 2 248.414 2.924 20 0 BFADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000549038537 384262538 /nfs/dbraw/zinc/26/25/38/384262538.db2.gz DTMRTJQXXFWZIV-LCGIIJARSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CCCC[N@H+]1C1CC1 ZINC000549038537 384262546 /nfs/dbraw/zinc/26/25/46/384262546.db2.gz DTMRTJQXXFWZIV-LCGIIJARSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000133501889 384294936 /nfs/dbraw/zinc/29/49/36/384294936.db2.gz QQRSVKRMTUVBHE-GDBMZVCRSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000133501889 384294943 /nfs/dbraw/zinc/29/49/43/384294943.db2.gz QQRSVKRMTUVBHE-GDBMZVCRSA-N 2 2 246.398 2.549 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000556418142 384373849 /nfs/dbraw/zinc/37/38/49/384373849.db2.gz QSCHJYLHISVVNS-LBPRGKRZSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000095068340 384328928 /nfs/dbraw/zinc/32/89/28/384328928.db2.gz OIKCKHOXSPKPCG-QWRGUYRKSA-N 2 2 224.373 2.541 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1(C)CC1 ZINC000448026950 384508758 /nfs/dbraw/zinc/50/87/58/384508758.db2.gz KRBYHJDFVSXHFF-OLZOCXBDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1(C)CC1 ZINC000448026950 384508768 /nfs/dbraw/zinc/50/87/68/384508768.db2.gz KRBYHJDFVSXHFF-OLZOCXBDSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449552209 384516216 /nfs/dbraw/zinc/51/62/16/384516216.db2.gz INWBZFIZFZCGGG-JSGCOSHPSA-N 2 2 243.354 2.716 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC1(C)C ZINC000309725579 384560138 /nfs/dbraw/zinc/56/01/38/384560138.db2.gz XTTYRMYYBNIACY-CYBMUJFWSA-N 2 2 218.344 2.711 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184257050 384584761 /nfs/dbraw/zinc/58/47/61/384584761.db2.gz DDDUWQMKVVFXQH-DZGCQCFKSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184257050 384584763 /nfs/dbraw/zinc/58/47/63/384584763.db2.gz DDDUWQMKVVFXQH-DZGCQCFKSA-N 2 2 247.386 2.525 20 0 BFADLP C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000162229564 384590139 /nfs/dbraw/zinc/59/01/39/384590139.db2.gz WELJJIOYXNOEOX-UHFFFAOYSA-N 2 2 249.745 2.669 20 0 BFADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC000162229564 384590146 /nfs/dbraw/zinc/59/01/46/384590146.db2.gz WELJJIOYXNOEOX-UHFFFAOYSA-N 2 2 249.745 2.669 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000309804916 384633031 /nfs/dbraw/zinc/63/30/31/384633031.db2.gz RXCXKCFHULRUKU-SCDSUCTJSA-N 2 2 218.344 2.567 20 0 BFADLP C1=CC[N@H+](CC[NH2+]CCC2CCCCC2)CC1 ZINC000355475667 384596824 /nfs/dbraw/zinc/59/68/24/384596824.db2.gz RWKJTANPZZZVTH-UHFFFAOYSA-N 2 2 236.403 2.808 20 0 BFADLP C1=CC[N@@H+](CC[NH2+]CCC2CCCCC2)CC1 ZINC000355475667 384596830 /nfs/dbraw/zinc/59/68/30/384596830.db2.gz RWKJTANPZZZVTH-UHFFFAOYSA-N 2 2 236.403 2.808 20 0 BFADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000185141563 384684217 /nfs/dbraw/zinc/68/42/17/384684217.db2.gz STHYWODEDDDUAY-CABCVRRESA-N 2 2 247.386 2.607 20 0 BFADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccnc1 ZINC000185141563 384684225 /nfs/dbraw/zinc/68/42/25/384684225.db2.gz STHYWODEDDDUAY-CABCVRRESA-N 2 2 247.386 2.607 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C(C)C)cn21 ZINC000647364690 384694430 /nfs/dbraw/zinc/69/44/30/384694430.db2.gz JCNHJOQVNZZBOP-CYBMUJFWSA-N 2 2 245.370 2.819 20 0 BFADLP Fc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647554068 384773758 /nfs/dbraw/zinc/77/37/58/384773758.db2.gz QGTFFFZWBMKSMA-AWEZNQCLSA-N 2 2 248.345 2.590 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000309962938 384751440 /nfs/dbraw/zinc/75/14/40/384751440.db2.gz MFDRIIISZSEIMA-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]([NH2+]CC1CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000185683576 384757966 /nfs/dbraw/zinc/75/79/66/384757966.db2.gz UPMJLNJJFUJYRK-IUODEOHRSA-N 2 2 232.371 2.677 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553971 384768883 /nfs/dbraw/zinc/76/88/83/384768883.db2.gz OAKDKXDKQGCAQU-HNNXBMFYSA-N 2 2 244.382 2.759 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000448057906 384880744 /nfs/dbraw/zinc/88/07/44/384880744.db2.gz GNFDIDIZAUJNPZ-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000448057906 384880755 /nfs/dbraw/zinc/88/07/55/384880755.db2.gz GNFDIDIZAUJNPZ-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CC2(CCC2)C1 ZINC000448058880 384884923 /nfs/dbraw/zinc/88/49/23/384884923.db2.gz UFYKEWQJWFFHSO-ZDUSSCGKSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000161201341 384910700 /nfs/dbraw/zinc/91/07/00/384910700.db2.gz WQULEBLMHMAJBL-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000161201341 384910701 /nfs/dbraw/zinc/91/07/01/384910701.db2.gz WQULEBLMHMAJBL-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC000161208034 384919762 /nfs/dbraw/zinc/91/97/62/384919762.db2.gz BJRSSWHINMGGAN-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC000161208034 384919768 /nfs/dbraw/zinc/91/97/68/384919768.db2.gz BJRSSWHINMGGAN-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)([NH3+])C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000258886500 384944640 /nfs/dbraw/zinc/94/46/40/384944640.db2.gz QPKMHZQIFZQFAG-UHFFFAOYSA-N 2 2 247.169 2.820 20 0 BFADLP CC(C)(C)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000258873055 384948144 /nfs/dbraw/zinc/94/81/44/384948144.db2.gz JTYAKHRDUKEYEZ-HNNXBMFYSA-N 2 2 246.398 2.826 20 0 BFADLP CC[C@@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152182837 384984038 /nfs/dbraw/zinc/98/40/38/384984038.db2.gz GFYNRSURRBQGDM-SQWLQELKSA-N 2 2 246.398 2.895 20 0 BFADLP CC[C@@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152182837 384984048 /nfs/dbraw/zinc/98/40/48/384984048.db2.gz GFYNRSURRBQGDM-SQWLQELKSA-N 2 2 246.398 2.895 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000129724160 385007570 /nfs/dbraw/zinc/00/75/70/385007570.db2.gz RZIRFKIKMWMNHI-RAIGVLPGSA-N 2 2 236.359 2.721 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000129724160 385007576 /nfs/dbraw/zinc/00/75/76/385007576.db2.gz RZIRFKIKMWMNHI-RAIGVLPGSA-N 2 2 236.359 2.721 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000177322883 384963574 /nfs/dbraw/zinc/96/35/74/384963574.db2.gz LIMGVFOJGMBSEY-KBPBESRZSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000177322883 384963577 /nfs/dbraw/zinc/96/35/77/384963577.db2.gz LIMGVFOJGMBSEY-KBPBESRZSA-N 2 2 246.398 2.895 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000086842486 385051179 /nfs/dbraw/zinc/05/11/79/385051179.db2.gz DYGUWKCSJWGSFQ-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)=CC[NH2+]CCCc1c[nH+]ccc1C ZINC000289636743 385069703 /nfs/dbraw/zinc/06/97/03/385069703.db2.gz KUHCVPAXROEDGR-UHFFFAOYSA-N 2 2 218.344 2.878 20 0 BFADLP CCS[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000165489151 385134691 /nfs/dbraw/zinc/13/46/91/385134691.db2.gz MIXKDAAGOVWLFK-NEPJUHHUSA-N 2 2 239.388 2.564 20 0 BFADLP CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000128895778 385086198 /nfs/dbraw/zinc/08/61/98/385086198.db2.gz DISIFZRBABJSLZ-HIFRSBDPSA-N 2 2 234.387 2.547 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccoc1 ZINC000087289488 385088353 /nfs/dbraw/zinc/08/83/53/385088353.db2.gz QOGHIAGBDJMBPF-LBPRGKRZSA-N 2 2 224.348 2.662 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)C1CCC1 ZINC000177736687 385091916 /nfs/dbraw/zinc/09/19/16/385091916.db2.gz RTSSSCWHZKEQDY-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C1CCC1 ZINC000177923139 385146051 /nfs/dbraw/zinc/14/60/51/385146051.db2.gz JWYBEGIIFPNYOL-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP c1coc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000176992145 385164649 /nfs/dbraw/zinc/16/46/49/385164649.db2.gz HCNDVUOBFFDGCZ-UHFFFAOYSA-N 2 2 248.370 2.776 20 0 BFADLP CC[C@@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152250608 385168855 /nfs/dbraw/zinc/16/88/55/385168855.db2.gz IWDUMHCZLWSJOU-GFCCVEGCSA-N 2 2 229.327 2.760 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CCC1 ZINC000178065544 385179472 /nfs/dbraw/zinc/17/94/72/385179472.db2.gz JJCXQUUIMMJVOA-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CCC1 ZINC000178065544 385179474 /nfs/dbraw/zinc/17/94/74/385179474.db2.gz JJCXQUUIMMJVOA-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)C2CC2)[NH+](C)C)cc1 ZINC000177267620 385211280 /nfs/dbraw/zinc/21/12/80/385211280.db2.gz XIOYUKXVXVZWJE-XJKSGUPXSA-N 2 2 246.398 2.986 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000130239338 385232015 /nfs/dbraw/zinc/23/20/15/385232015.db2.gz WTPPQJOJWMQMMB-MELADBBJSA-N 2 2 248.370 2.865 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000130239338 385232024 /nfs/dbraw/zinc/23/20/24/385232024.db2.gz WTPPQJOJWMQMMB-MELADBBJSA-N 2 2 248.370 2.865 20 0 BFADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(F)c1 ZINC000166544170 385252781 /nfs/dbraw/zinc/25/27/81/385252781.db2.gz YBDRAPXBSBJHRK-AWEZNQCLSA-N 2 2 247.317 2.763 20 0 BFADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000177232437 385203718 /nfs/dbraw/zinc/20/37/18/385203718.db2.gz KRCIBLQTZUQWCB-GFCCVEGCSA-N 2 2 247.367 2.819 20 0 BFADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000177232437 385203723 /nfs/dbraw/zinc/20/37/23/385203723.db2.gz KRCIBLQTZUQWCB-GFCCVEGCSA-N 2 2 247.367 2.819 20 0 BFADLP C[C@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C1CC1 ZINC000177238479 385204483 /nfs/dbraw/zinc/20/44/83/385204483.db2.gz MCAZHLRUVBVIBC-XJKSGUPXSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000037712387 385270180 /nfs/dbraw/zinc/27/01/80/385270180.db2.gz FTDZGDKQDBAAOW-CYBMUJFWSA-N 2 2 240.350 2.963 20 0 BFADLP CC[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CC1 ZINC000130680428 385275621 /nfs/dbraw/zinc/27/56/21/385275621.db2.gz UJGSSLJRBKCULL-AWEZNQCLSA-N 2 2 243.354 2.655 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166880018 385288564 /nfs/dbraw/zinc/28/85/64/385288564.db2.gz TXLMAQIWXBILRB-RYUDHWBXSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166880018 385288570 /nfs/dbraw/zinc/28/85/70/385288570.db2.gz TXLMAQIWXBILRB-RYUDHWBXSA-N 2 2 238.400 2.801 20 0 BFADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCC1 ZINC000177828753 385288897 /nfs/dbraw/zinc/28/88/97/385288897.db2.gz VTFONOVHVNNFGO-LBPRGKRZSA-N 2 2 243.354 2.655 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)s1 ZINC000154509015 385332242 /nfs/dbraw/zinc/33/22/42/385332242.db2.gz XFOKBJZDBKJOPS-RYUDHWBXSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)s1 ZINC000154509015 385332247 /nfs/dbraw/zinc/33/22/47/385332247.db2.gz XFOKBJZDBKJOPS-RYUDHWBXSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)s1 ZINC000154509118 385333008 /nfs/dbraw/zinc/33/30/08/385333008.db2.gz XFOKBJZDBKJOPS-VXGBXAGGSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)s1 ZINC000154509118 385333013 /nfs/dbraw/zinc/33/30/13/385333013.db2.gz XFOKBJZDBKJOPS-VXGBXAGGSA-N 2 2 238.400 2.801 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC000154619590 385340953 /nfs/dbraw/zinc/34/09/53/385340953.db2.gz RKTTXHUQXUACAJ-SMDDNHRTSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC000154619590 385340959 /nfs/dbraw/zinc/34/09/59/385340959.db2.gz RKTTXHUQXUACAJ-SMDDNHRTSA-N 2 2 236.334 2.571 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]CC[N@H+](C)CC ZINC000158800485 385368899 /nfs/dbraw/zinc/36/88/99/385368899.db2.gz OPNJWOVVPNXCJT-QWHCGFSZSA-N 2 2 214.397 2.743 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]CC[N@@H+](C)CC ZINC000158800485 385368905 /nfs/dbraw/zinc/36/89/05/385368905.db2.gz OPNJWOVVPNXCJT-QWHCGFSZSA-N 2 2 214.397 2.743 20 0 BFADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1cccc(F)c1 ZINC000179567986 385474177 /nfs/dbraw/zinc/47/41/77/385474177.db2.gz RCCVSDVROXHWMZ-UHFFFAOYSA-N 2 2 247.317 2.547 20 0 BFADLP C[N@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000179313804 385458935 /nfs/dbraw/zinc/45/89/35/385458935.db2.gz YSFSAVNUKUCWOJ-HNNXBMFYSA-N 2 2 241.338 2.502 20 0 BFADLP C[N@@H+](CCn1cc[nH+]c1)[C@H]1CCc2ccccc21 ZINC000179313804 385458939 /nfs/dbraw/zinc/45/89/39/385458939.db2.gz YSFSAVNUKUCWOJ-HNNXBMFYSA-N 2 2 241.338 2.502 20 0 BFADLP CCC[C@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000337317827 385595438 /nfs/dbraw/zinc/59/54/38/385595438.db2.gz LWHMAWCMLNBGNR-RYUDHWBXSA-N 2 2 221.348 2.778 20 0 BFADLP CCC[C@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000337317827 385595440 /nfs/dbraw/zinc/59/54/40/385595440.db2.gz LWHMAWCMLNBGNR-RYUDHWBXSA-N 2 2 221.348 2.778 20 0 BFADLP c1csc([C@H]2CCC[N@H+]2CCn2cc[nH+]c2)c1 ZINC000182110275 385636164 /nfs/dbraw/zinc/63/61/64/385636164.db2.gz HMGPMKIFJLHZQX-GFCCVEGCSA-N 2 2 247.367 2.782 20 0 BFADLP c1csc([C@H]2CCC[N@@H+]2CCn2cc[nH+]c2)c1 ZINC000182110275 385636167 /nfs/dbraw/zinc/63/61/67/385636167.db2.gz HMGPMKIFJLHZQX-GFCCVEGCSA-N 2 2 247.367 2.782 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CCC12CCC2 ZINC000337384157 385636392 /nfs/dbraw/zinc/63/63/92/385636392.db2.gz GNJUBSODTDRANP-AWEZNQCLSA-N 2 2 236.403 2.785 20 0 BFADLP CC[N@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000353449491 385635837 /nfs/dbraw/zinc/63/58/37/385635837.db2.gz MYZCLKQOCKQUSW-UHFFFAOYSA-N 2 2 218.344 2.807 20 0 BFADLP CC[N@@H+](CCCc1ccc(C)[nH+]c1)C1CC1 ZINC000353449491 385635841 /nfs/dbraw/zinc/63/58/41/385635841.db2.gz MYZCLKQOCKQUSW-UHFFFAOYSA-N 2 2 218.344 2.807 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC12CCC2 ZINC000337409908 385642533 /nfs/dbraw/zinc/64/25/33/385642533.db2.gz VMPMPIDIHMDBOS-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000337406030 385650538 /nfs/dbraw/zinc/65/05/38/385650538.db2.gz SLXDHWQABKEDHN-ILXRZTDVSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1F ZINC000019958954 385662934 /nfs/dbraw/zinc/66/29/34/385662934.db2.gz ULNCWKOJPGJZKX-SNVBAGLBSA-N 2 2 242.313 2.567 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000414533017 385689256 /nfs/dbraw/zinc/68/92/56/385689256.db2.gz AYOOUIMWUBDPHN-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000414533017 385689262 /nfs/dbraw/zinc/68/92/62/385689262.db2.gz AYOOUIMWUBDPHN-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CC(C)(C)C1 ZINC000309550510 385689330 /nfs/dbraw/zinc/68/93/30/385689330.db2.gz IBUQPVOHOCHQAN-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[C@H](C[NH2+]C1CC(C)(C)C1)[NH+](C)C ZINC000336692319 385733706 /nfs/dbraw/zinc/73/37/06/385733706.db2.gz XEZNKUJQFXKKAJ-CYBMUJFWSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CC[C@@H]1CCC[C@H]1[NH2+]CC[NH+](C)C ZINC000309673008 385786164 /nfs/dbraw/zinc/78/61/64/385786164.db2.gz KRXBNZWLGYCYJP-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CCC1CC([NH2+]C[C@H]2CCCC[N@@H+]2CC)C1 ZINC000309611770 385745928 /nfs/dbraw/zinc/74/59/28/385745928.db2.gz AJLPPONWPNZBSP-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CC([NH2+]C[C@H]2CCCC[N@H+]2CC)C1 ZINC000309611770 385745930 /nfs/dbraw/zinc/74/59/30/385745930.db2.gz AJLPPONWPNZBSP-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000186208684 385747313 /nfs/dbraw/zinc/74/73/13/385747313.db2.gz BTJSNXNXBRATON-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCC1CC1 ZINC000186208684 385747318 /nfs/dbraw/zinc/74/73/18/385747318.db2.gz BTJSNXNXBRATON-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC000336696558 385748364 /nfs/dbraw/zinc/74/83/64/385748364.db2.gz NZRDPGSRDQZBNX-RYUDHWBXSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)CCC(C)(C)C)[NH+](C)C ZINC000336696556 385748605 /nfs/dbraw/zinc/74/86/05/385748605.db2.gz NZRDPGSRDQZBNX-NWDGAFQWSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1ccccc1C1([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000647800442 385806427 /nfs/dbraw/zinc/80/64/27/385806427.db2.gz BCMYTJKVHLVXIQ-ZFWWWQNUSA-N 2 2 244.382 2.714 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CCC1 ZINC000414953013 385827993 /nfs/dbraw/zinc/82/79/93/385827993.db2.gz JESDYQQHMANZQQ-LRDDRELGSA-N 2 2 244.382 2.652 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414954437 385835930 /nfs/dbraw/zinc/83/59/30/385835930.db2.gz MWPWDIVAEOCVES-DZGCQCFKSA-N 2 2 232.371 2.534 20 0 BFADLP CCC1CC([NH2+]CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000336741062 385848427 /nfs/dbraw/zinc/84/84/27/385848427.db2.gz QPYJQCGFTIAOII-IYXRBSQSSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CC([NH2+]CC[N@H+]2CCCC[C@H]2C)C1 ZINC000336741062 385848430 /nfs/dbraw/zinc/84/84/30/385848430.db2.gz QPYJQCGFTIAOII-IYXRBSQSSA-N 2 2 224.392 2.639 20 0 BFADLP CCCc1cccc(C[NH2+]C[C@@H](C)[NH2+]CC)c1 ZINC000414962197 385892152 /nfs/dbraw/zinc/89/21/52/385892152.db2.gz SFLWKZURPPROTO-CYBMUJFWSA-N 2 2 234.387 2.727 20 0 BFADLP CCC1([NH2+]CCCc2c[nH+]ccc2C)CC1 ZINC000294804102 385898285 /nfs/dbraw/zinc/89/82/85/385898285.db2.gz NFCFVMJXDOHJKR-UHFFFAOYSA-N 2 2 218.344 2.855 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414965531 385906264 /nfs/dbraw/zinc/90/62/64/385906264.db2.gz ZRXBSFMMGQRYJZ-BLLLJJGKSA-N 2 2 244.382 2.652 20 0 BFADLP CC(C)[N@H+](CCCn1cc[nH+]c1)Cc1ccco1 ZINC000272024332 385869792 /nfs/dbraw/zinc/86/97/92/385869792.db2.gz VPRTVZQIJLIHGW-UHFFFAOYSA-N 2 2 247.342 2.777 20 0 BFADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)Cc1ccco1 ZINC000272024332 385869796 /nfs/dbraw/zinc/86/97/96/385869796.db2.gz VPRTVZQIJLIHGW-UHFFFAOYSA-N 2 2 247.342 2.777 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CCC1 ZINC000338015029 385878998 /nfs/dbraw/zinc/87/89/98/385878998.db2.gz VAXSIWUFYZJFRB-KGLIPLIRSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000335042643 385935945 /nfs/dbraw/zinc/93/59/45/385935945.db2.gz UETXJFRZGANDPF-OLZOCXBDSA-N 2 2 244.338 2.711 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000414065599 385941138 /nfs/dbraw/zinc/94/11/38/385941138.db2.gz GBPRDTCAXUBZLX-YJNKXOJESA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000414078213 385950171 /nfs/dbraw/zinc/95/01/71/385950171.db2.gz ZRQOTVNHVFRDEG-XLWJZTARSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000414078213 385950176 /nfs/dbraw/zinc/95/01/76/385950176.db2.gz ZRQOTVNHVFRDEG-XLWJZTARSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)CC[N@@H+]1C ZINC000335053666 385954212 /nfs/dbraw/zinc/95/42/12/385954212.db2.gz KCCJMUNZAARELS-SMDDNHRTSA-N 2 2 245.370 2.549 20 0 BFADLP C[C@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)CC[N@H+]1C ZINC000335053666 385954220 /nfs/dbraw/zinc/95/42/20/385954220.db2.gz KCCJMUNZAARELS-SMDDNHRTSA-N 2 2 245.370 2.549 20 0 BFADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@@H]1C[C@H]1C ZINC000414088917 385954285 /nfs/dbraw/zinc/95/42/85/385954285.db2.gz BQGZNYNMMFPTRX-DFBGVHRSSA-N 2 2 232.371 2.957 20 0 BFADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@H]1C[C@@H]1C ZINC000414088915 385954924 /nfs/dbraw/zinc/95/49/24/385954924.db2.gz BQGZNYNMMFPTRX-CQDKDKBSSA-N 2 2 232.371 2.957 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000285822610 385970351 /nfs/dbraw/zinc/97/03/51/385970351.db2.gz WLXWLJQKNXTTGH-ZDUSSCGKSA-N 2 2 249.402 2.628 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)oc1C ZINC000414123779 385971281 /nfs/dbraw/zinc/97/12/81/385971281.db2.gz JSRIJYCYDJLDRM-LLVKDONJSA-N 2 2 247.342 2.523 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000189468871 386010523 /nfs/dbraw/zinc/01/05/23/386010523.db2.gz WXXXOZNUEHPFDZ-CHWSQXEVSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000189468871 386010531 /nfs/dbraw/zinc/01/05/31/386010531.db2.gz WXXXOZNUEHPFDZ-CHWSQXEVSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000189468832 386010641 /nfs/dbraw/zinc/01/06/41/386010641.db2.gz WXXXOZNUEHPFDZ-OLZOCXBDSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000189468832 386010649 /nfs/dbraw/zinc/01/06/49/386010649.db2.gz WXXXOZNUEHPFDZ-OLZOCXBDSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](C)CC2)n1C ZINC000518797328 386029839 /nfs/dbraw/zinc/02/98/39/386029839.db2.gz RMBZAPSYSQDCBD-WCQYABFASA-N 2 2 235.375 2.787 20 0 BFADLP C[C@H]1C[C@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000345250376 386080647 /nfs/dbraw/zinc/08/06/47/386080647.db2.gz NEOSRUDMTSACKK-JSGCOSHPSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000286932507 386082784 /nfs/dbraw/zinc/08/27/84/386082784.db2.gz GIAOXMDOEUNMKT-XRGAULLZSA-N 2 2 246.398 2.718 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH+](C)C)CCC2 ZINC000286994722 386089535 /nfs/dbraw/zinc/08/95/35/386089535.db2.gz JSTPXAYNHHUPFP-OAHLLOKOSA-N 2 2 232.371 2.524 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)C1 ZINC000414984635 386094344 /nfs/dbraw/zinc/09/43/44/386094344.db2.gz DSGFNDZLYQJCDE-UTUOFQBUSA-N 2 2 248.361 2.775 20 0 BFADLP CC[C@H]([NH3+])C[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000414991606 386156060 /nfs/dbraw/zinc/15/60/60/386156060.db2.gz QPXXVZSEDOCMDU-VIFPVBQESA-N 2 2 244.741 2.614 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000414686372 386175471 /nfs/dbraw/zinc/17/54/71/386175471.db2.gz AHALCMRITCABOQ-QWHCGFSZSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000414686372 386175474 /nfs/dbraw/zinc/17/54/74/386175474.db2.gz AHALCMRITCABOQ-QWHCGFSZSA-N 2 2 226.408 2.870 20 0 BFADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346189856 386181337 /nfs/dbraw/zinc/18/13/37/386181337.db2.gz ZWNARPVCHDSKEF-UHFFFAOYSA-N 2 2 233.340 2.528 20 0 BFADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346189856 386181340 /nfs/dbraw/zinc/18/13/40/386181340.db2.gz ZWNARPVCHDSKEF-UHFFFAOYSA-N 2 2 233.340 2.528 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)CC1CC1)CCC2 ZINC000366207903 386187977 /nfs/dbraw/zinc/18/79/77/386187977.db2.gz FOVRBHQGJCXGFT-RISCZKNCSA-N 2 2 247.386 2.847 20 0 BFADLP Cc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000347090411 386245443 /nfs/dbraw/zinc/24/54/43/386245443.db2.gz GAEPLOUPGNOFAP-MRXNPFEDSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000347090411 386245446 /nfs/dbraw/zinc/24/54/46/386245446.db2.gz GAEPLOUPGNOFAP-MRXNPFEDSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000289013412 386252062 /nfs/dbraw/zinc/25/20/62/386252062.db2.gz AGIDUMYIYDQINE-KBPBESRZSA-N 2 2 232.371 2.910 20 0 BFADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc2ccccc2s1 ZINC000347230732 386290228 /nfs/dbraw/zinc/29/02/28/386290228.db2.gz XSHKVGHWTIDUCG-JTQLQIEISA-N 2 2 234.368 2.680 20 0 BFADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc2ccccc2s1 ZINC000347230732 386290234 /nfs/dbraw/zinc/29/02/34/386290234.db2.gz XSHKVGHWTIDUCG-JTQLQIEISA-N 2 2 234.368 2.680 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000276384590 386313984 /nfs/dbraw/zinc/31/39/84/386313984.db2.gz BEMODZPSMZHMLC-JKSUJKDBSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000415006347 386317385 /nfs/dbraw/zinc/31/73/85/386317385.db2.gz KJWMOBMPBCCTEN-YUMQZZPRSA-N 2 2 247.169 2.819 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000181071749 386317551 /nfs/dbraw/zinc/31/75/51/386317551.db2.gz XUGFDIVDNGSMOG-KGLIPLIRSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000181071749 386317553 /nfs/dbraw/zinc/31/75/53/386317553.db2.gz XUGFDIVDNGSMOG-KGLIPLIRSA-N 2 2 233.359 2.538 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000347173600 386269169 /nfs/dbraw/zinc/26/91/69/386269169.db2.gz PKIQNOFWUZOUCC-BWPKMQGJSA-N 2 2 248.345 2.652 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000347173600 386269174 /nfs/dbraw/zinc/26/91/74/386269174.db2.gz PKIQNOFWUZOUCC-BWPKMQGJSA-N 2 2 248.345 2.652 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000347175443 386269291 /nfs/dbraw/zinc/26/92/91/386269291.db2.gz PKIQNOFWUZOUCC-NHZBNJEXSA-N 2 2 248.345 2.652 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000347175443 386269300 /nfs/dbraw/zinc/26/93/00/386269300.db2.gz PKIQNOFWUZOUCC-NHZBNJEXSA-N 2 2 248.345 2.652 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](CC1CC1)C1CCC1 ZINC000414749603 386363139 /nfs/dbraw/zinc/36/31/39/386363139.db2.gz YKLGCTBWFWJQNB-ZDUSSCGKSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](CC1CC1)C1CCC1 ZINC000414749603 386363146 /nfs/dbraw/zinc/36/31/46/386363146.db2.gz YKLGCTBWFWJQNB-ZDUSSCGKSA-N 2 2 224.392 2.624 20 0 BFADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccco1 ZINC000276838526 386379835 /nfs/dbraw/zinc/37/98/35/386379835.db2.gz BXPCTVMEPVQRAS-UHFFFAOYSA-N 2 2 238.375 2.833 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccco1 ZINC000276838526 386379841 /nfs/dbraw/zinc/37/98/41/386379841.db2.gz BXPCTVMEPVQRAS-UHFFFAOYSA-N 2 2 238.375 2.833 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277568531 386447085 /nfs/dbraw/zinc/44/70/85/386447085.db2.gz ZLRHVKHGLOOPGG-AWEZNQCLSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000277568531 386447094 /nfs/dbraw/zinc/44/70/94/386447094.db2.gz ZLRHVKHGLOOPGG-AWEZNQCLSA-N 2 2 245.370 2.819 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000527355077 386414845 /nfs/dbraw/zinc/41/48/45/386414845.db2.gz QINAVQZUNGEDHA-QLFBSQMISA-N 2 2 238.419 2.744 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000527355077 386414849 /nfs/dbraw/zinc/41/48/49/386414849.db2.gz QINAVQZUNGEDHA-QLFBSQMISA-N 2 2 238.419 2.744 20 0 BFADLP c1cn(CCC[NH2+][C@H]2CCCC23CCC3)c[nH+]1 ZINC000394804518 386431583 /nfs/dbraw/zinc/43/15/83/386431583.db2.gz VRBCYXSFVVNBOZ-ZDUSSCGKSA-N 2 2 233.359 2.586 20 0 BFADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417351539 386490899 /nfs/dbraw/zinc/49/08/99/386490899.db2.gz CYJFVKHMUYEJPE-WFASDCNBSA-N 2 2 244.382 2.604 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000417357247 386493756 /nfs/dbraw/zinc/49/37/56/386493756.db2.gz QYEVOUMSOOJRCE-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc(-c2ccccc2)o1)[C@H](C)[NH3+] ZINC000415024961 386514024 /nfs/dbraw/zinc/51/40/24/386514024.db2.gz ZGXKXOKIDLBVHV-NWDGAFQWSA-N 2 2 244.338 2.772 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000394863069 386463460 /nfs/dbraw/zinc/46/34/60/386463460.db2.gz NJCWMAIVDRLWOH-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000394863069 386463462 /nfs/dbraw/zinc/46/34/62/386463462.db2.gz NJCWMAIVDRLWOH-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CCCC[NH2+]C2)c1C ZINC000415064662 386544503 /nfs/dbraw/zinc/54/45/03/386544503.db2.gz DIAOBFQHJQECDP-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000123226736 386547723 /nfs/dbraw/zinc/54/77/23/386547723.db2.gz QHRIYVUOYUIDEM-LBPRGKRZSA-N 2 2 246.379 2.695 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000123226736 386547728 /nfs/dbraw/zinc/54/77/28/386547728.db2.gz QHRIYVUOYUIDEM-LBPRGKRZSA-N 2 2 246.379 2.695 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415066970 386548283 /nfs/dbraw/zinc/54/82/83/386548283.db2.gz JSJWZQFPKAALLV-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP CCCc1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000414793630 386554924 /nfs/dbraw/zinc/55/49/24/386554924.db2.gz SIAHBMJMTUMKBV-WFASDCNBSA-N 2 2 232.371 2.561 20 0 BFADLP CCCc1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000414793630 386554929 /nfs/dbraw/zinc/55/49/29/386554929.db2.gz SIAHBMJMTUMKBV-WFASDCNBSA-N 2 2 232.371 2.561 20 0 BFADLP Clc1ccccc1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071189 386557700 /nfs/dbraw/zinc/55/77/00/386557700.db2.gz SIOVVFVDRZILIS-LBPRGKRZSA-N 2 2 238.762 2.572 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccs1 ZINC000335498199 386622767 /nfs/dbraw/zinc/62/27/67/386622767.db2.gz FNSFOHPMUZDPNR-MNOVXSKESA-N 2 2 224.373 2.541 20 0 BFADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC000335498160 386623076 /nfs/dbraw/zinc/62/30/76/386623076.db2.gz DZNMYOMMKPXYIL-FZMZJTMJSA-N 2 2 236.334 2.618 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(C)o1 ZINC000179381332 386637955 /nfs/dbraw/zinc/63/79/55/386637955.db2.gz VNFLOWXMQYHUKM-UHFFFAOYSA-N 2 2 238.375 2.752 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(C)o1 ZINC000179381332 386637957 /nfs/dbraw/zinc/63/79/57/386637957.db2.gz VNFLOWXMQYHUKM-UHFFFAOYSA-N 2 2 238.375 2.752 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(F)cc(F)c1 ZINC000414812251 386640856 /nfs/dbraw/zinc/64/08/56/386640856.db2.gz KNTCHFCRCFTVOO-CYBMUJFWSA-N 2 2 242.313 2.572 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(C)ccc1F ZINC000414813134 386643322 /nfs/dbraw/zinc/64/33/22/386643322.db2.gz LYOZMEKRVCHZPO-ZDUSSCGKSA-N 2 2 238.350 2.741 20 0 BFADLP Cc1cc[nH+]c(NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000268331367 386643372 /nfs/dbraw/zinc/64/33/72/386643372.db2.gz PWLDCNCZQNMCHJ-ZDUSSCGKSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1cc[nH+]c(NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000268331367 386643379 /nfs/dbraw/zinc/64/33/79/386643379.db2.gz PWLDCNCZQNMCHJ-ZDUSSCGKSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1cc2cc(C[NH2+]CC(C)(C)[NH3+])oc2cc1C ZINC000414805989 386606322 /nfs/dbraw/zinc/60/63/22/386606322.db2.gz PKWMJAHFSIZWSR-UHFFFAOYSA-N 2 2 246.354 2.877 20 0 BFADLP Cc1cc(F)c(C[NH2+]CC(C)(C)[NH3+])c(Cl)c1 ZINC000414804122 386606363 /nfs/dbraw/zinc/60/63/63/386606363.db2.gz MVXLWRDQSYFOPZ-UHFFFAOYSA-N 2 2 244.741 2.614 20 0 BFADLP C[N@H+](CC(C)(C)[NH3+])[C@H]1CCC[C@H]1c1ccccc1 ZINC000415107651 386616880 /nfs/dbraw/zinc/61/68/80/386616880.db2.gz JLJFCPIDBRGOIF-GJZGRUSLSA-N 2 2 246.398 2.992 20 0 BFADLP C[N@@H+](CC(C)(C)[NH3+])[C@H]1CCC[C@H]1c1ccccc1 ZINC000415107651 386616884 /nfs/dbraw/zinc/61/68/84/386616884.db2.gz JLJFCPIDBRGOIF-GJZGRUSLSA-N 2 2 246.398 2.992 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cs1 ZINC000335495760 386618013 /nfs/dbraw/zinc/61/80/13/386618013.db2.gz LWXOEYNLAFSPCQ-AAEUAGOBSA-N 2 2 238.400 2.849 20 0 BFADLP CCC[C@@H](C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000337246149 386677027 /nfs/dbraw/zinc/67/70/27/386677027.db2.gz JELBDNQKGQFEJN-CQSZACIVSA-N 2 2 247.386 2.701 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000414830891 386708968 /nfs/dbraw/zinc/70/89/68/386708968.db2.gz MKVRTDUEHGWZHA-BPLDGKMQSA-N 2 2 232.371 2.855 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414824509 386683556 /nfs/dbraw/zinc/68/35/56/386683556.db2.gz ARDBTUVVCJXVNF-YUELXQCFSA-N 2 2 232.371 2.855 20 0 BFADLP Cc1cccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)c1 ZINC000414837185 386734738 /nfs/dbraw/zinc/73/47/38/386734738.db2.gz UJJGGZXVVXONOE-INIZCTEOSA-N 2 2 240.350 2.785 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)c1ccccc1)[NH+](C)C ZINC000268896538 386717988 /nfs/dbraw/zinc/71/79/88/386717988.db2.gz LMPNHABIDBGTPX-KGLIPLIRSA-N 2 2 248.414 2.892 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000414929069 386719750 /nfs/dbraw/zinc/71/97/50/386719750.db2.gz NKLMBJCVOGIBJF-CZUORRHYSA-N 2 2 246.398 2.898 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000325076540 386721647 /nfs/dbraw/zinc/72/16/47/386721647.db2.gz XNYUYNDBCRYDDF-ZLDLUXBVSA-N 2 2 236.403 2.780 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000325076540 386721652 /nfs/dbraw/zinc/72/16/52/386721652.db2.gz XNYUYNDBCRYDDF-ZLDLUXBVSA-N 2 2 236.403 2.780 20 0 BFADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@H]1C1CC1)c1ccccc1 ZINC000414842828 386754063 /nfs/dbraw/zinc/75/40/63/386754063.db2.gz ZPIHDPPMCMPEMN-XHSDSOJGSA-N 2 2 244.382 2.855 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000414936440 386828004 /nfs/dbraw/zinc/82/80/04/386828004.db2.gz CTVJKKXUGVCBTK-DZGCQCFKSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1sccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000293529487 386831793 /nfs/dbraw/zinc/83/17/93/386831793.db2.gz JGRQIXIBXVMDCH-NSHDSACASA-N 2 2 249.383 2.679 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]CCC3(C)CC3)n2c1 ZINC000280707633 386837201 /nfs/dbraw/zinc/83/72/01/386837201.db2.gz WXSIGOCAVUKGBK-UHFFFAOYSA-N 2 2 243.354 2.923 20 0 BFADLP CCCC[N@H+](C)C[C@@H](C)Nc1cccc(C)[nH+]1 ZINC000341117433 386840832 /nfs/dbraw/zinc/84/08/32/386840832.db2.gz ACYAFOBQUWYMBB-CYBMUJFWSA-N 2 2 235.375 2.922 20 0 BFADLP CCCC[N@@H+](C)C[C@@H](C)Nc1cccc(C)[nH+]1 ZINC000341117433 386840836 /nfs/dbraw/zinc/84/08/36/386840836.db2.gz ACYAFOBQUWYMBB-CYBMUJFWSA-N 2 2 235.375 2.922 20 0 BFADLP Cc1cc[nH+]c(NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000301618519 386859834 /nfs/dbraw/zinc/85/98/34/386859834.db2.gz BKCRTSXSYHOYIK-GFCCVEGCSA-N 2 2 245.326 2.698 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)o1 ZINC000293710115 386866166 /nfs/dbraw/zinc/86/61/66/386866166.db2.gz OXBPTFHBLOEXKA-NWDGAFQWSA-N 2 2 238.375 2.690 20 0 BFADLP CCC1CCC([NH2+][C@@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC000340440269 386876584 /nfs/dbraw/zinc/87/65/84/386876584.db2.gz WOXBJEBGYVOSME-XSCHDIRWSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CCC([NH2+][C@@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC000340440269 386876591 /nfs/dbraw/zinc/87/65/91/386876591.db2.gz WOXBJEBGYVOSME-XSCHDIRWSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccc(C)cc1 ZINC000358236115 386918274 /nfs/dbraw/zinc/91/82/74/386918274.db2.gz UCWPPKDHWMLXTP-KBMXLJTQSA-N 2 2 246.398 2.986 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C)cc1 ZINC000358236115 386918280 /nfs/dbraw/zinc/91/82/80/386918280.db2.gz UCWPPKDHWMLXTP-KBMXLJTQSA-N 2 2 246.398 2.986 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358385022 386946854 /nfs/dbraw/zinc/94/68/54/386946854.db2.gz QKTWSVQIDBZULC-FMKPAKJESA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358385022 386946860 /nfs/dbraw/zinc/94/68/60/386946860.db2.gz QKTWSVQIDBZULC-FMKPAKJESA-N 2 2 246.398 2.547 20 0 BFADLP CCCC1(C[NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)CCC1 ZINC000358283750 386927454 /nfs/dbraw/zinc/92/74/54/386927454.db2.gz DJMFZNUOYJTHGE-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC1(C[NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)CCC1 ZINC000358283750 386927457 /nfs/dbraw/zinc/92/74/57/386927457.db2.gz DJMFZNUOYJTHGE-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[NH+](C)CC[C@H]([NH2+]Cc1ccco1)C(C)(C)C ZINC000116378630 386943937 /nfs/dbraw/zinc/94/39/37/386943937.db2.gz OGWWQYFZXUZMFF-ZDUSSCGKSA-N 2 2 238.375 2.736 20 0 BFADLP Cc1occc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000341801238 386965303 /nfs/dbraw/zinc/96/53/03/386965303.db2.gz FKLQGUKHAHWGBX-UHFFFAOYSA-N 2 2 248.370 2.552 20 0 BFADLP Cc1ccc2cc[nH+]c(N(C)CC[NH+](C)C)c2c1 ZINC000514599021 387008001 /nfs/dbraw/zinc/00/80/01/387008001.db2.gz IHBOTBZNNXSHAH-UHFFFAOYSA-N 2 2 243.354 2.541 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000328162411 387004578 /nfs/dbraw/zinc/00/45/78/387004578.db2.gz IGKGNQUKJMGYMH-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC12CCCC2 ZINC000328162411 387004584 /nfs/dbraw/zinc/00/45/84/387004584.db2.gz IGKGNQUKJMGYMH-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358390514 386948399 /nfs/dbraw/zinc/94/83/99/386948399.db2.gz DQTVQKGHCMVCQT-VNHYZAJKSA-N 2 2 232.371 2.596 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358390514 386948404 /nfs/dbraw/zinc/94/84/04/386948404.db2.gz DQTVQKGHCMVCQT-VNHYZAJKSA-N 2 2 232.371 2.596 20 0 BFADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000053201296 387020354 /nfs/dbraw/zinc/02/03/54/387020354.db2.gz NXUXVQLEKQGYEM-LSDHHAIUSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000053201296 387020356 /nfs/dbraw/zinc/02/03/56/387020356.db2.gz NXUXVQLEKQGYEM-LSDHHAIUSA-N 2 2 232.371 2.822 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126807 387073641 /nfs/dbraw/zinc/07/36/41/387073641.db2.gz NCLHOAFWXSKDTJ-CQSZACIVSA-N 2 2 232.371 2.741 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccs1 ZINC000020127066 387075617 /nfs/dbraw/zinc/07/56/17/387075617.db2.gz CTMSUZVRAZTPBV-GFCCVEGCSA-N 2 2 238.400 2.885 20 0 BFADLP C[N@H+](Cc1cccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071309443 387102946 /nfs/dbraw/zinc/10/29/46/387102946.db2.gz YPHPOSQDCYYCFB-HNNXBMFYSA-N 2 2 240.350 2.634 20 0 BFADLP C[N@@H+](Cc1cccc2ccccc21)[C@H]1CC[NH2+]C1 ZINC000071309443 387102950 /nfs/dbraw/zinc/10/29/50/387102950.db2.gz YPHPOSQDCYYCFB-HNNXBMFYSA-N 2 2 240.350 2.634 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CC34CC4)n2c1 ZINC000418097009 387104913 /nfs/dbraw/zinc/10/49/13/387104913.db2.gz NGSHRZVRFVEZIS-GFCCVEGCSA-N 2 2 241.338 2.532 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000068987308 387110479 /nfs/dbraw/zinc/11/04/79/387110479.db2.gz MJIGUZJZHPHTDW-QWHCGFSZSA-N 2 2 224.392 2.782 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000068987308 387110483 /nfs/dbraw/zinc/11/04/83/387110483.db2.gz MJIGUZJZHPHTDW-QWHCGFSZSA-N 2 2 224.392 2.782 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423299761 387129729 /nfs/dbraw/zinc/12/97/29/387129729.db2.gz CHBIPCQMYSGXSP-YDHLFZDLSA-N 2 2 244.382 2.885 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000423307933 387142671 /nfs/dbraw/zinc/14/26/71/387142671.db2.gz IDXYLZWEYFWWPN-INIZCTEOSA-N 2 2 246.398 2.962 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000336319256 387143939 /nfs/dbraw/zinc/14/39/39/387143939.db2.gz XYPDOFNSSPWBST-TZMCWYRMSA-N 2 2 247.386 2.756 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000423309950 387146909 /nfs/dbraw/zinc/14/69/09/387146909.db2.gz MRVFLXJFKNNWLY-CYBMUJFWSA-N 2 2 246.398 2.826 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000423311774 387149019 /nfs/dbraw/zinc/14/90/19/387149019.db2.gz QNBHTDIISHPBDV-AWEZNQCLSA-N 2 2 234.387 2.954 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423311366 387149174 /nfs/dbraw/zinc/14/91/74/387149174.db2.gz PQVKCHGZPVUTDK-XEZPLFJOSA-N 2 2 244.382 2.967 20 0 BFADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1csc(Cl)c1 ZINC000423315945 387155803 /nfs/dbraw/zinc/15/58/03/387155803.db2.gz JHOCGDPOYIISKR-XVKPBYJWSA-N 2 2 244.791 2.789 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423320856 387162930 /nfs/dbraw/zinc/16/29/30/387162930.db2.gz GVRJTCSRRCDSAO-HTQZYQBOSA-N 2 2 247.169 2.991 20 0 BFADLP CC(C)CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccoc1 ZINC000423327537 387169969 /nfs/dbraw/zinc/16/99/69/387169969.db2.gz NJPHDEQLFJNJJD-YPMHNXCESA-N 2 2 224.348 2.694 20 0 BFADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423329429 387173139 /nfs/dbraw/zinc/17/31/39/387173139.db2.gz SUAXVWHSXLORLX-GXFFZTMASA-N 2 2 244.338 2.821 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCC(F)(F)CC1 ZINC000353310982 387176006 /nfs/dbraw/zinc/17/60/06/387176006.db2.gz GNJIUMNCKHGKHW-WDEREUQCSA-N 2 2 248.361 2.740 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1cccc(Cl)c1F ZINC000423333288 387177462 /nfs/dbraw/zinc/17/74/62/387177462.db2.gz RKBFGRGFTSFJJM-KCJUWKMLSA-N 2 2 244.741 2.867 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC12CCCC2 ZINC000353314583 387177790 /nfs/dbraw/zinc/17/77/90/387177790.db2.gz NBJAVHSTXJMSBN-CHWSQXEVSA-N 2 2 233.359 2.584 20 0 BFADLP CCCc1cccc(C[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000418110993 387188930 /nfs/dbraw/zinc/18/89/30/387188930.db2.gz DCPICOUNBHKQBZ-UHFFFAOYSA-N 2 2 246.398 2.823 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1F ZINC000423301964 387135487 /nfs/dbraw/zinc/13/54/87/387135487.db2.gz UTWMPOHODHIBFC-NEPJUHHUSA-N 2 2 238.350 2.994 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423303477 387137384 /nfs/dbraw/zinc/13/73/84/387137384.db2.gz LRAYEBKBQQAXIN-HUBLWGQQSA-N 2 2 230.355 2.577 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000423358297 387209846 /nfs/dbraw/zinc/20/98/46/387209846.db2.gz JGNWTWDATIHAMK-WXHSDQCUSA-N 2 2 238.400 2.787 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C)[N@H+](C)C1CC1 ZINC000300418695 387209831 /nfs/dbraw/zinc/20/98/31/387209831.db2.gz ZTRQLSMPSPUMNB-COMQUAJESA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)C1CC1 ZINC000300418695 387209835 /nfs/dbraw/zinc/20/98/35/387209835.db2.gz ZTRQLSMPSPUMNB-COMQUAJESA-N 2 2 238.419 2.883 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000423359506 387210999 /nfs/dbraw/zinc/21/09/99/387210999.db2.gz KSIRHTRTMOOOCU-APHBMKBZSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(C)o1 ZINC000423360413 387213289 /nfs/dbraw/zinc/21/32/89/387213289.db2.gz LJNWGZHUIPBSHW-NURSFMCSSA-N 2 2 236.359 2.545 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)s1 ZINC000423369286 387220031 /nfs/dbraw/zinc/22/00/31/387220031.db2.gz OCIFFDQNAIVMOQ-JGVFFNPUSA-N 2 2 232.780 2.789 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000423370930 387223874 /nfs/dbraw/zinc/22/38/74/387223874.db2.gz FAVQEFZNXCVHEM-KOLCDFICSA-N 2 2 226.389 2.705 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423370113 387224052 /nfs/dbraw/zinc/22/40/52/387224052.db2.gz UDZDRSWKHUBSGW-KCXAZCMYSA-N 2 2 244.382 2.570 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000423372448 387226959 /nfs/dbraw/zinc/22/69/59/387226959.db2.gz GJIBOSLJVOLRFF-DOMZBBRYSA-N 2 2 246.398 2.997 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000423403679 387240170 /nfs/dbraw/zinc/24/01/70/387240170.db2.gz ZHJNVFDLDAPDLL-YPMHNXCESA-N 2 2 236.359 2.708 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353631505 387246595 /nfs/dbraw/zinc/24/65/95/387246595.db2.gz QUYYADBIZGBMNA-QWHCGFSZSA-N 2 2 247.386 2.992 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353631505 387246598 /nfs/dbraw/zinc/24/65/98/387246598.db2.gz QUYYADBIZGBMNA-QWHCGFSZSA-N 2 2 247.386 2.992 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000423374580 387254541 /nfs/dbraw/zinc/25/45/41/387254541.db2.gz CKVHUSBAGCVNKB-LALPHHSUSA-N 2 2 232.371 2.823 20 0 BFADLP CSc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH3+])cc1F ZINC000423377649 387259147 /nfs/dbraw/zinc/25/91/47/387259147.db2.gz VXHIJDDVFMNLEQ-DTWKUNHWSA-N 2 2 242.363 2.545 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000423379910 387261801 /nfs/dbraw/zinc/26/18/01/387261801.db2.gz MHRWEYCMNMNDTO-HIFRSBDPSA-N 2 2 249.402 2.756 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000336443805 387272109 /nfs/dbraw/zinc/27/21/09/387272109.db2.gz FWMMBVNJEWWLRJ-ZJUUUORDSA-N 2 2 247.367 2.679 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000336443805 387272112 /nfs/dbraw/zinc/27/21/12/387272112.db2.gz FWMMBVNJEWWLRJ-ZJUUUORDSA-N 2 2 247.367 2.679 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccsc1 ZINC000423390143 387275011 /nfs/dbraw/zinc/27/50/11/387275011.db2.gz OGLGYVVBCRTCIT-ZYHUDNBSSA-N 2 2 226.389 2.787 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1C[C@H]1C ZINC000572223537 387276001 /nfs/dbraw/zinc/27/60/01/387276001.db2.gz CGSGSAMJTLLKMI-BNOWGMLFSA-N 2 2 247.386 2.744 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C)[NH+](C)C ZINC000321600248 387280210 /nfs/dbraw/zinc/28/02/10/387280210.db2.gz PZYGZBGRNXWMLG-DGAVXFQQSA-N 2 2 226.408 2.597 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C(C)C)n1C ZINC000514734654 387281859 /nfs/dbraw/zinc/28/18/59/387281859.db2.gz JKOJIBPRUPRYQQ-UHFFFAOYSA-N 2 2 223.364 2.500 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000423394437 387282374 /nfs/dbraw/zinc/28/23/74/387282374.db2.gz ZQXVDWNCSXUOER-CZUORRHYSA-N 2 2 246.398 2.960 20 0 BFADLP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccc(F)cc1F ZINC000423435963 387286168 /nfs/dbraw/zinc/28/61/68/387286168.db2.gz FCDGQPAVIHTQQW-RWEMILLDSA-N 2 2 242.313 2.741 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C(C)C ZINC000423439740 387290246 /nfs/dbraw/zinc/29/02/46/387290246.db2.gz VKWJNVDUWKEYDO-HZPDHXFCSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1C(C)(C)C1(C)C ZINC000353917652 387296231 /nfs/dbraw/zinc/29/62/31/387296231.db2.gz RTPRAQLYUPALRW-GFCCVEGCSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000353933883 387300744 /nfs/dbraw/zinc/30/07/44/387300744.db2.gz WTQUVOCCWCCBAA-RYUDHWBXSA-N 2 2 249.402 2.932 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000423461011 387308699 /nfs/dbraw/zinc/30/86/99/387308699.db2.gz JFQKDPASVAWRAD-PSASIEDQSA-N 2 2 244.741 2.867 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1nccc2ccccc21 ZINC000423481023 387362144 /nfs/dbraw/zinc/36/21/44/387362144.db2.gz WIKONEWUYHDDEK-YPMHNXCESA-N 2 2 243.354 2.623 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000423559816 387375310 /nfs/dbraw/zinc/37/53/10/387375310.db2.gz PGFXYELLOJEECZ-STQMWFEESA-N 2 2 238.400 2.931 20 0 BFADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423556879 387375401 /nfs/dbraw/zinc/37/54/01/387375401.db2.gz MWBNIFXBQLORBF-ZBFHGGJFSA-N 2 2 244.382 2.796 20 0 BFADLP C[C@H]1c2ccsc2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000336555623 387378681 /nfs/dbraw/zinc/37/86/81/387378681.db2.gz JSFZKJHSSRPZPA-NSHDSACASA-N 2 2 247.367 2.564 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)o1 ZINC000423497925 387341292 /nfs/dbraw/zinc/34/12/92/387341292.db2.gz ALULPDWTJJNARW-WCQYABFASA-N 2 2 236.359 2.756 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643500948 387346942 /nfs/dbraw/zinc/34/69/42/387346942.db2.gz KEGNEXCDFMEYSW-NWDGAFQWSA-N 2 2 238.400 2.849 20 0 BFADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643500875 387347752 /nfs/dbraw/zinc/34/77/52/387347752.db2.gz DICTYSBAZMFQPF-DZGCQCFKSA-N 2 2 248.345 2.545 20 0 BFADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643500966 387348325 /nfs/dbraw/zinc/34/83/25/387348325.db2.gz LEMZPCKTLQVVGG-ZFWWWQNUSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000643468946 387424550 /nfs/dbraw/zinc/42/45/50/387424550.db2.gz PUKYBPVTPJONCA-KCXAZCMYSA-N 2 2 244.382 2.712 20 0 BFADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506541 387461812 /nfs/dbraw/zinc/46/18/12/387461812.db2.gz AKODJSXTFQHWCT-INIZCTEOSA-N 2 2 244.382 2.796 20 0 BFADLP CC(C)CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CC1 ZINC000304269041 387454522 /nfs/dbraw/zinc/45/45/22/387454522.db2.gz CELACRIKLMSDDA-GXTWGEPZSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1CC1 ZINC000083054715 387396428 /nfs/dbraw/zinc/39/64/28/387396428.db2.gz YGKOOEZEFNRDHG-KBPBESRZSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CCC2 ZINC000643506754 387460282 /nfs/dbraw/zinc/46/02/82/387460282.db2.gz HKSGUZJKSKMIEW-MRXNPFEDSA-N 2 2 244.382 2.714 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C[N@@H+]1C1CC1 ZINC000324671655 387498888 /nfs/dbraw/zinc/49/88/88/387498888.db2.gz LARDKAAQNXUWPF-XFJVYGCCSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C[N@H+]1C1CC1 ZINC000324671655 387498892 /nfs/dbraw/zinc/49/88/92/387498892.db2.gz LARDKAAQNXUWPF-XFJVYGCCSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)C1(C)CC1 ZINC000361669381 387520514 /nfs/dbraw/zinc/52/05/14/387520514.db2.gz BCESZSJWRZLIRB-NEPJUHHUSA-N 2 2 233.359 2.539 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)cc1C ZINC000643506135 387465521 /nfs/dbraw/zinc/46/55/21/387465521.db2.gz LLVVJBSNYSCYLT-ZDUSSCGKSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000304356611 387468601 /nfs/dbraw/zinc/46/86/01/387468601.db2.gz HJXLGOQFGRFMAX-LBPRGKRZSA-N 2 2 223.364 2.688 20 0 BFADLP Fc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643507289 387475345 /nfs/dbraw/zinc/47/53/45/387475345.db2.gz YJCIKIWLVFYSCH-OAHLLOKOSA-N 2 2 248.345 2.618 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)[C@H](C)C2 ZINC000643507820 387479645 /nfs/dbraw/zinc/47/96/45/387479645.db2.gz QLIPHDJHGLFCID-WBMJQRKESA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccccc1Cl ZINC000396678914 387479809 /nfs/dbraw/zinc/47/98/09/387479809.db2.gz VBGALOQOFMEJNF-ZWNOBZJWSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CCC1 ZINC000355126428 387481988 /nfs/dbraw/zinc/48/19/88/387481988.db2.gz RNGNOEYGIDTAMK-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CCC1 ZINC000355126428 387481994 /nfs/dbraw/zinc/48/19/94/387481994.db2.gz RNGNOEYGIDTAMK-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1occc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000643472201 387484034 /nfs/dbraw/zinc/48/40/34/387484034.db2.gz HAWCHJPSEWGXNG-LSDHHAIUSA-N 2 2 242.322 2.822 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)C1(C)CC1 ZINC000040767709 387583035 /nfs/dbraw/zinc/58/30/35/387583035.db2.gz JOQXULZXTOYLTO-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000536861685 387585595 /nfs/dbraw/zinc/58/55/95/387585595.db2.gz FVGIJKDFEIZNIH-DZGCQCFKSA-N 2 2 240.435 2.987 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000536861685 387585600 /nfs/dbraw/zinc/58/56/00/387585600.db2.gz FVGIJKDFEIZNIH-DZGCQCFKSA-N 2 2 240.435 2.987 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2cccnc21 ZINC000643514556 387599049 /nfs/dbraw/zinc/59/90/49/387599049.db2.gz QTBPUAPUPXGQNU-KGLIPLIRSA-N 2 2 247.386 2.566 20 0 BFADLP c1cn(CCNc2cc[nH+]c3ccccc23)c[nH+]1 ZINC000041721197 387607196 /nfs/dbraw/zinc/60/71/96/387607196.db2.gz CFKOBSIAZANNFW-UHFFFAOYSA-N 2 2 238.294 2.543 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCCCC1 ZINC000037249320 387562054 /nfs/dbraw/zinc/56/20/54/387562054.db2.gz JXFJNLOSEWSKHB-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120458570 387567056 /nfs/dbraw/zinc/56/70/56/387567056.db2.gz NDIPQZTXNJIOAE-CHWSQXEVSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)C1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120458570 387567064 /nfs/dbraw/zinc/56/70/64/387567064.db2.gz NDIPQZTXNJIOAE-CHWSQXEVSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)C1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120458317 387567146 /nfs/dbraw/zinc/56/71/46/387567146.db2.gz NDIPQZTXNJIOAE-OLZOCXBDSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)C1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120458317 387567154 /nfs/dbraw/zinc/56/71/54/387567154.db2.gz NDIPQZTXNJIOAE-OLZOCXBDSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313261380 387634648 /nfs/dbraw/zinc/63/46/48/387634648.db2.gz AHFVTYVYGXTRPV-CHWSQXEVSA-N 2 2 235.375 2.521 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000422728339 387638930 /nfs/dbraw/zinc/63/89/30/387638930.db2.gz JBWWJWQPLCOGLC-DTWKUNHWSA-N 2 2 244.791 2.804 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000527642239 387649770 /nfs/dbraw/zinc/64/97/70/387649770.db2.gz CBSYRYFZZQIQRL-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000527642239 387649775 /nfs/dbraw/zinc/64/97/75/387649775.db2.gz CBSYRYFZZQIQRL-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP CC[C@@H](F)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000440780547 387695724 /nfs/dbraw/zinc/69/57/24/387695724.db2.gz GXFXRSUIGRMCOL-KGLIPLIRSA-N 2 2 242.382 2.685 20 0 BFADLP CC[C@@H](F)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000440780547 387695731 /nfs/dbraw/zinc/69/57/31/387695731.db2.gz GXFXRSUIGRMCOL-KGLIPLIRSA-N 2 2 242.382 2.685 20 0 BFADLP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000422769961 387667460 /nfs/dbraw/zinc/66/74/60/387667460.db2.gz VSNRYXCRLWRRTG-UONOGXRCSA-N 2 2 236.334 2.575 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+]C1CCC2(CC2)CC1 ZINC000362922733 387672649 /nfs/dbraw/zinc/67/26/49/387672649.db2.gz OMOQZIUUEDLPQZ-UHFFFAOYSA-N 2 2 236.403 2.785 20 0 BFADLP C[C@H](C[NH2+]C1CCC2(CC2)CC1)[N@H+](C)C1CC1 ZINC000362924000 387674046 /nfs/dbraw/zinc/67/40/46/387674046.db2.gz MUJWQLQYYGVOIE-GFCCVEGCSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+]C1CCC2(CC2)CC1)[N@@H+](C)C1CC1 ZINC000362924000 387674050 /nfs/dbraw/zinc/67/40/50/387674050.db2.gz MUJWQLQYYGVOIE-GFCCVEGCSA-N 2 2 236.403 2.782 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)C(F)(F)CC)C1 ZINC000527721567 387674885 /nfs/dbraw/zinc/67/48/85/387674885.db2.gz OPWVDWPVPBFWHQ-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(F)(F)CC)C1 ZINC000527721567 387674890 /nfs/dbraw/zinc/67/48/90/387674890.db2.gz OPWVDWPVPBFWHQ-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CC[C@@H](F)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000440762349 387685526 /nfs/dbraw/zinc/68/55/26/387685526.db2.gz HQJYSPPHHQNUKZ-CHWSQXEVSA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@@H](F)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000440762349 387685530 /nfs/dbraw/zinc/68/55/30/387685530.db2.gz HQJYSPPHHQNUKZ-CHWSQXEVSA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@@H](F)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000440762349 387685534 /nfs/dbraw/zinc/68/55/34/387685534.db2.gz HQJYSPPHHQNUKZ-CHWSQXEVSA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@@H](F)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000440762349 387685539 /nfs/dbraw/zinc/68/55/39/387685539.db2.gz HQJYSPPHHQNUKZ-CHWSQXEVSA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000451958574 387687067 /nfs/dbraw/zinc/68/70/67/387687067.db2.gz WNGDBDNWVOGYAY-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000451958574 387687071 /nfs/dbraw/zinc/68/70/71/387687071.db2.gz WNGDBDNWVOGYAY-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000044686602 387688281 /nfs/dbraw/zinc/68/82/81/387688281.db2.gz RIYNHTRELFOTOR-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000044686602 387688286 /nfs/dbraw/zinc/68/82/86/387688286.db2.gz RIYNHTRELFOTOR-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367702105 387744683 /nfs/dbraw/zinc/74/46/83/387744683.db2.gz MFASJHXLGAZRJX-CYBMUJFWSA-N 2 2 235.375 2.646 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000367702105 387744690 /nfs/dbraw/zinc/74/46/90/387744690.db2.gz MFASJHXLGAZRJX-CYBMUJFWSA-N 2 2 235.375 2.646 20 0 BFADLP CC(C)CC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000367789854 387753202 /nfs/dbraw/zinc/75/32/02/387753202.db2.gz DDEKEHMXFNVJOT-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000367789854 387753206 /nfs/dbraw/zinc/75/32/06/387753206.db2.gz DDEKEHMXFNVJOT-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CC(C)(C)C)CCC2 ZINC000377831128 387753428 /nfs/dbraw/zinc/75/34/28/387753428.db2.gz KAKGMGMHVHRLSR-GFCCVEGCSA-N 2 2 235.375 2.705 20 0 BFADLP CC[C@H](F)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000440796396 387701385 /nfs/dbraw/zinc/70/13/85/387701385.db2.gz WTJICABZALLJGE-KBPBESRZSA-N 2 2 242.382 2.542 20 0 BFADLP CC[C@H](F)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000440796396 387701390 /nfs/dbraw/zinc/70/13/90/387701390.db2.gz WTJICABZALLJGE-KBPBESRZSA-N 2 2 242.382 2.542 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438730 387708203 /nfs/dbraw/zinc/70/82/03/387708203.db2.gz OWLWRQBRCCPILV-NEPJUHHUSA-N 2 2 235.375 2.744 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC[C@H]2CC=CCC2)n1C ZINC000527789803 387714382 /nfs/dbraw/zinc/71/43/82/387714382.db2.gz OJYQUEHJTUNDMI-ZDUSSCGKSA-N 2 2 233.359 2.565 20 0 BFADLP Cc1ccc(C)c(C[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000377385996 387714587 /nfs/dbraw/zinc/71/45/87/387714587.db2.gz LFGPDGFBYONVOY-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP Cc1ccc(C)c(C[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000377385996 387714601 /nfs/dbraw/zinc/71/46/01/387714601.db2.gz LFGPDGFBYONVOY-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527806339 387731350 /nfs/dbraw/zinc/73/13/50/387731350.db2.gz JHCNCBHGJANULI-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527806339 387731351 /nfs/dbraw/zinc/73/13/51/387731351.db2.gz JHCNCBHGJANULI-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527811520 387731463 /nfs/dbraw/zinc/73/14/63/387731463.db2.gz XRGTTWRSDCITJY-NFAWXSAZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527811520 387731467 /nfs/dbraw/zinc/73/14/67/387731467.db2.gz XRGTTWRSDCITJY-NFAWXSAZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527811524 387732376 /nfs/dbraw/zinc/73/23/76/387732376.db2.gz XRGTTWRSDCITJY-VNHYZAJKSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527811524 387732383 /nfs/dbraw/zinc/73/23/83/387732383.db2.gz XRGTTWRSDCITJY-VNHYZAJKSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643527130 387763628 /nfs/dbraw/zinc/76/36/28/387763628.db2.gz DEYOFSOLYYEVHB-KOLCDFICSA-N 2 2 232.327 2.739 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000157192990 387766699 /nfs/dbraw/zinc/76/66/99/387766699.db2.gz MBYPYISMCCBZBV-RWMBFGLXSA-N 2 2 224.392 2.780 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000157192990 387766702 /nfs/dbraw/zinc/76/67/02/387766702.db2.gz MBYPYISMCCBZBV-RWMBFGLXSA-N 2 2 224.392 2.780 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527876925 387767229 /nfs/dbraw/zinc/76/72/29/387767229.db2.gz WALQXPQCDJGZDN-GXTWGEPZSA-N 2 2 230.355 2.711 20 0 BFADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528340 387767772 /nfs/dbraw/zinc/76/77/72/387767772.db2.gz HGBMTKJPWOFPMR-MNOVXSKESA-N 2 2 238.400 2.796 20 0 BFADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528990 387771793 /nfs/dbraw/zinc/77/17/93/387771793.db2.gz SHXDTIJOGURUST-RKDXNWHRSA-N 2 2 241.404 2.573 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1CC12CC2 ZINC000527893068 387776683 /nfs/dbraw/zinc/77/66/83/387776683.db2.gz BYDVCEYWQSPEOT-NWANDNLSSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CC12CC2 ZINC000527893068 387776685 /nfs/dbraw/zinc/77/66/85/387776685.db2.gz BYDVCEYWQSPEOT-NWANDNLSSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccoc1 ZINC000643530125 387784361 /nfs/dbraw/zinc/78/43/61/387784361.db2.gz NZOFDYMVGVVSEM-DGCLKSJQSA-N 2 2 236.359 2.708 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527980616 387798168 /nfs/dbraw/zinc/79/81/68/387798168.db2.gz ITOJSWUOFLAQLK-IJEWVQPXSA-N 2 2 248.414 2.805 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527980616 387798170 /nfs/dbraw/zinc/79/81/70/387798170.db2.gz ITOJSWUOFLAQLK-IJEWVQPXSA-N 2 2 248.414 2.805 20 0 BFADLP COc1c(C)c[nH+]c(Cn2c[nH+]c(C)c2C)c1C ZINC000134591580 387810813 /nfs/dbraw/zinc/81/08/13/387810813.db2.gz IFFDPLWFAJYPQA-UHFFFAOYSA-N 2 2 245.326 2.569 20 0 BFADLP C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422960196 387810831 /nfs/dbraw/zinc/81/08/31/387810831.db2.gz VPFBGSGZZWKDTQ-FZMZJTMJSA-N 2 2 248.345 2.545 20 0 BFADLP C[C@H]1CC[N@H+](CC2=CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000645837210 387759490 /nfs/dbraw/zinc/75/94/90/387759490.db2.gz LFQRHARHMNKCHX-DZGCQCFKSA-N 2 2 245.370 2.876 20 0 BFADLP C[C@H]1CC[N@@H+](CC2=CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000645837210 387759496 /nfs/dbraw/zinc/75/94/96/387759496.db2.gz LFQRHARHMNKCHX-DZGCQCFKSA-N 2 2 245.370 2.876 20 0 BFADLP C[C@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422960198 387811725 /nfs/dbraw/zinc/81/17/25/387811725.db2.gz VPFBGSGZZWKDTQ-SMDDNHRTSA-N 2 2 248.345 2.545 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000309555046 387821415 /nfs/dbraw/zinc/82/14/15/387821415.db2.gz JLJOMZBBRGBBPR-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000309555046 387821418 /nfs/dbraw/zinc/82/14/18/387821418.db2.gz JLJOMZBBRGBBPR-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP c1ccc([C@@H](CC2CCC2)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423045014 387855413 /nfs/dbraw/zinc/85/54/13/387855413.db2.gz RWLAIBVVFBWIRC-HZPDHXFCSA-N 2 2 244.382 2.869 20 0 BFADLP CC[NH+](CC)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442658163 387814952 /nfs/dbraw/zinc/81/49/52/387814952.db2.gz YXIAMSHPKAXFDH-UHFFFAOYSA-N 2 2 248.361 2.742 20 0 BFADLP CC[N@H+](C[C@@H](C)[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000442654144 387815385 /nfs/dbraw/zinc/81/53/85/387815385.db2.gz XGFMKQYKMAEMQE-GHMZBOCLSA-N 2 2 224.323 2.556 20 0 BFADLP CC[N@@H+](C[C@@H](C)[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000442654144 387815391 /nfs/dbraw/zinc/81/53/91/387815391.db2.gz XGFMKQYKMAEMQE-GHMZBOCLSA-N 2 2 224.323 2.556 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000151671834 387875626 /nfs/dbraw/zinc/87/56/26/387875626.db2.gz LYKOZFYPXYHJJA-ZBFHGGJFSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000151671834 387875634 /nfs/dbraw/zinc/87/56/34/387875634.db2.gz LYKOZFYPXYHJJA-ZBFHGGJFSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000424174892 387878173 /nfs/dbraw/zinc/87/81/73/387878173.db2.gz PPPGYUXIBMGGAP-PCBIJLKTSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000424174892 387878178 /nfs/dbraw/zinc/87/81/78/387878178.db2.gz PPPGYUXIBMGGAP-PCBIJLKTSA-N 2 2 248.414 2.637 20 0 BFADLP CC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152182931 387880679 /nfs/dbraw/zinc/88/06/79/387880679.db2.gz GFYNRSURRBQGDM-OFQRWUPVSA-N 2 2 246.398 2.895 20 0 BFADLP CC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152182931 387880683 /nfs/dbraw/zinc/88/06/83/387880683.db2.gz GFYNRSURRBQGDM-OFQRWUPVSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)[C@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423090093 387883505 /nfs/dbraw/zinc/88/35/05/387883505.db2.gz WUZDMELKQXRBIF-APHBMKBZSA-N 2 2 244.382 2.823 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+](CC3=CCCC3)C2)c[nH+]1 ZINC000645793725 387916790 /nfs/dbraw/zinc/91/67/90/387916790.db2.gz NQJKJUZWFYCZJM-CQSZACIVSA-N 2 2 231.343 2.630 20 0 BFADLP c1cn([C@@H]2CCC[N@H+](CC3=CCCC3)C2)c[nH+]1 ZINC000645793725 387916793 /nfs/dbraw/zinc/91/67/93/387916793.db2.gz NQJKJUZWFYCZJM-CQSZACIVSA-N 2 2 231.343 2.630 20 0 BFADLP CC(C)C1(C)CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000459431478 387941975 /nfs/dbraw/zinc/94/19/75/387941975.db2.gz RKAUVTLOQMGURN-UHFFFAOYSA-N 2 2 249.402 2.721 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423178022 387963779 /nfs/dbraw/zinc/96/37/79/387963779.db2.gz BLPZDZPVOBOFGV-OLZOCXBDSA-N 2 2 238.400 2.931 20 0 BFADLP C[C@@H]([NH2+]CC[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000423178404 387963991 /nfs/dbraw/zinc/96/39/91/387963991.db2.gz FVRKVKNMNGBDCO-MRVPVSSYSA-N 2 2 238.718 2.696 20 0 BFADLP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)C(C)C ZINC000045106201 387964082 /nfs/dbraw/zinc/96/40/82/387964082.db2.gz VRVMNSNHLWQESQ-CYBMUJFWSA-N 2 2 223.364 2.688 20 0 BFADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423179430 387966127 /nfs/dbraw/zinc/96/61/27/387966127.db2.gz DEOYMNSEMUWPNM-YPMHNXCESA-N 2 2 248.370 2.635 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000423182326 387968426 /nfs/dbraw/zinc/96/84/26/387968426.db2.gz LNZFFYFJOLJTGB-ZOBORPQBSA-N 2 2 248.370 2.646 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453083036 387980795 /nfs/dbraw/zinc/98/07/95/387980795.db2.gz LCCLRBNUXPNXPL-HNNXBMFYSA-N 2 2 236.403 2.641 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1C ZINC000423187618 387972499 /nfs/dbraw/zinc/97/24/99/387972499.db2.gz KXRQPPPJMRLDLN-ZIAGYGMSSA-N 2 2 232.371 2.706 20 0 BFADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423189552 387972842 /nfs/dbraw/zinc/97/28/42/387972842.db2.gz MVRFGIDFNNGVJB-HIFRSBDPSA-N 2 2 248.345 2.545 20 0 BFADLP CC1(C)C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423190764 387976734 /nfs/dbraw/zinc/97/67/34/387976734.db2.gz OERDRARICHPLNC-DOMZBBRYSA-N 2 2 244.382 2.751 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2sccc21 ZINC000423212234 387995967 /nfs/dbraw/zinc/99/59/67/387995967.db2.gz JOMLRIJCXSOZPY-FOGDFJRCSA-N 2 2 236.384 2.638 20 0 BFADLP C[NH2+]CCC[NH2+][C@@H](C)c1csc(C(C)C)n1 ZINC000423209031 387993825 /nfs/dbraw/zinc/99/38/25/387993825.db2.gz ZMUFSILRKFJTCN-JTQLQIEISA-N 2 2 241.404 2.527 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2sccc21 ZINC000423212233 387995276 /nfs/dbraw/zinc/99/52/76/387995276.db2.gz JOMLRIJCXSOZPY-CKYFFXLPSA-N 2 2 236.384 2.638 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000453140556 387995408 /nfs/dbraw/zinc/99/54/08/387995408.db2.gz NJYMGGNTZHEZHL-RLCCDNCMSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000453140556 387995411 /nfs/dbraw/zinc/99/54/11/387995411.db2.gz NJYMGGNTZHEZHL-RLCCDNCMSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000245982740 387998838 /nfs/dbraw/zinc/99/88/38/387998838.db2.gz YURCXDIRLKORHC-MCIONIFRSA-N 2 2 249.402 2.934 20 0 BFADLP CC[C@H](Nc1ccc2c(c1)CC[NH2+]2)[C@@H]1CCC[NH2+]1 ZINC000423221757 388002055 /nfs/dbraw/zinc/00/20/55/388002055.db2.gz XYNRHKBHZHMLGO-ZFWWWQNUSA-N 2 2 245.370 2.597 20 0 BFADLP C[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000246012266 388002248 /nfs/dbraw/zinc/00/22/48/388002248.db2.gz YROSABSKFRUNPC-STQMWFEESA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000246012266 388002252 /nfs/dbraw/zinc/00/22/52/388002252.db2.gz YROSABSKFRUNPC-STQMWFEESA-N 2 2 243.354 2.955 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000423225617 388007915 /nfs/dbraw/zinc/00/79/15/388007915.db2.gz NMOIRAOEBQBCKB-AWEZNQCLSA-N 2 2 234.387 2.973 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000453196766 388008279 /nfs/dbraw/zinc/00/82/79/388008279.db2.gz FPGYPWREQHUCQR-ZIAGYGMSSA-N 2 2 247.386 2.756 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C(C)(C)C ZINC000453144658 387996127 /nfs/dbraw/zinc/99/61/27/387996127.db2.gz KOMYJVJYNFTZLF-XQQFMLRXSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000453144658 387996131 /nfs/dbraw/zinc/99/61/31/387996131.db2.gz KOMYJVJYNFTZLF-XQQFMLRXSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000423241673 388024433 /nfs/dbraw/zinc/02/44/33/388024433.db2.gz VDAUYQJJFNHIOW-KBPBESRZSA-N 2 2 236.334 2.618 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](CC1CCC1)c1ccccc1 ZINC000423227438 388012007 /nfs/dbraw/zinc/01/20/07/388012007.db2.gz VUBQSPHEEDUIAK-HNNXBMFYSA-N 2 2 232.371 2.727 20 0 BFADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@@H]1C[C@H]1C ZINC000423243137 388025861 /nfs/dbraw/zinc/02/58/61/388025861.db2.gz GHNCDDJNDOTQKU-RZFFKMDDSA-N 2 2 232.371 2.711 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1C ZINC000423231879 388016830 /nfs/dbraw/zinc/01/68/30/388016830.db2.gz HGRZUMYPGJTYAU-HIFRSBDPSA-N 2 2 232.371 2.706 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000423231424 388017070 /nfs/dbraw/zinc/01/70/70/388017070.db2.gz GSALZXTWNPNQBJ-HNNXBMFYSA-N 2 2 246.398 2.998 20 0 BFADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000423230942 388017292 /nfs/dbraw/zinc/01/72/92/388017292.db2.gz ABFUANZKOFERGF-YPMHNXCESA-N 2 2 220.360 2.711 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000423235545 388018956 /nfs/dbraw/zinc/01/89/56/388018956.db2.gz NHIQOPAPIQRBSK-PWSUYJOCSA-N 2 2 238.400 2.886 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(C)c1 ZINC000423235247 388019008 /nfs/dbraw/zinc/01/90/08/388019008.db2.gz NATMMAMPTHOGKV-LSDHHAIUSA-N 2 2 232.371 2.788 20 0 BFADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423233837 388019568 /nfs/dbraw/zinc/01/95/68/388019568.db2.gz KMDLPRATBYASNC-ZFWWWQNUSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(C)c1 ZINC000423235244 388019641 /nfs/dbraw/zinc/01/96/41/388019641.db2.gz NATMMAMPTHOGKV-CABCVRRESA-N 2 2 232.371 2.788 20 0 BFADLP C[NH2+]CC[NH2+][C@H]1CC(C)(C)CCc2ccccc21 ZINC000423237777 388021063 /nfs/dbraw/zinc/02/10/63/388021063.db2.gz DUCMEFNCOJXWPP-HNNXBMFYSA-N 2 2 246.398 2.899 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000423237568 388021257 /nfs/dbraw/zinc/02/12/57/388021257.db2.gz PVYRQGIVBHYGMC-SMDDNHRTSA-N 2 2 236.334 2.618 20 0 BFADLP C[NH2+]CC[NH2+][C@@H]1CCCc2c(Cl)cccc21 ZINC000423238873 388022603 /nfs/dbraw/zinc/02/26/03/388022603.db2.gz FMMYDSKIQPBXMB-CYBMUJFWSA-N 2 2 238.762 2.526 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000423243805 388026152 /nfs/dbraw/zinc/02/61/52/388026152.db2.gz KIUFMGLXWZNYRW-CQSZACIVSA-N 2 2 236.359 2.628 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423248880 388032015 /nfs/dbraw/zinc/03/20/15/388032015.db2.gz RFNNKLUXJZAFSM-SNVBAGLBSA-N 2 2 249.383 2.556 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000423250618 388034229 /nfs/dbraw/zinc/03/42/29/388034229.db2.gz UUKGBTAOCRFWKC-SNVBAGLBSA-N 2 2 226.751 2.600 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000423252537 388034382 /nfs/dbraw/zinc/03/43/82/388034382.db2.gz XXDWJXYXYNRNQT-JSGCOSHPSA-N 2 2 232.371 2.742 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000446763655 388036785 /nfs/dbraw/zinc/03/67/85/388036785.db2.gz XTUVLEYCSJEUIV-RQJABVFESA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000446763655 388036787 /nfs/dbraw/zinc/03/67/87/388036787.db2.gz XTUVLEYCSJEUIV-RQJABVFESA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1Cl ZINC000423259737 388037922 /nfs/dbraw/zinc/03/79/22/388037922.db2.gz FSODKBVEMFTXOL-GWCFXTLKSA-N 2 2 240.778 2.974 20 0 BFADLP C1=C(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000645895171 388041440 /nfs/dbraw/zinc/04/14/40/388041440.db2.gz ZSZXWMPQQYFTLY-OAHLLOKOSA-N 2 2 244.338 2.645 20 0 BFADLP C1=C(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000645895171 388041444 /nfs/dbraw/zinc/04/14/44/388041444.db2.gz ZSZXWMPQQYFTLY-OAHLLOKOSA-N 2 2 244.338 2.645 20 0 BFADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@@H]1C[C@@H]1C ZINC000423243133 388027056 /nfs/dbraw/zinc/02/70/56/388027056.db2.gz GHNCDDJNDOTQKU-ATGSNQNLSA-N 2 2 232.371 2.711 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](CC)c1cccc(C)c1 ZINC000423246321 388030363 /nfs/dbraw/zinc/03/03/63/388030363.db2.gz ZCKGPGUGCKYFEV-CQSZACIVSA-N 2 2 220.360 2.645 20 0 BFADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1Cl ZINC000423274750 388054675 /nfs/dbraw/zinc/05/46/75/388054675.db2.gz KYKVALFBMAXWMZ-ZANVPECISA-N 2 2 238.762 2.728 20 0 BFADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1Cl ZINC000423274749 388055674 /nfs/dbraw/zinc/05/56/74/388055674.db2.gz KYKVALFBMAXWMZ-TVQRCGJNSA-N 2 2 238.762 2.728 20 0 BFADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc2ccccc2n1 ZINC000423288735 388073515 /nfs/dbraw/zinc/07/35/15/388073515.db2.gz USDLEBMDZBFRPW-LLVKDONJSA-N 2 2 243.354 2.623 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000084340583 388076228 /nfs/dbraw/zinc/07/62/28/388076228.db2.gz DFPHJTWFNBZSAJ-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1CCC[C@H](C[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000084340584 388076966 /nfs/dbraw/zinc/07/69/66/388076966.db2.gz DFPHJTWFNBZSAJ-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000423295445 388077214 /nfs/dbraw/zinc/07/72/14/388077214.db2.gz AJBSFZFSNKGXCR-AWEZNQCLSA-N 2 2 238.350 2.866 20 0 BFADLP C[C@@H]1CC([NH2+]CCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000084463372 388077745 /nfs/dbraw/zinc/07/77/45/388077745.db2.gz UGDBVHYFLQPSMX-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)[C@H](C)C1 ZINC000085099396 388084010 /nfs/dbraw/zinc/08/40/10/388084010.db2.gz KCIDHOAEMJOQDE-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccn1 ZINC000423266420 388045552 /nfs/dbraw/zinc/04/55/52/388045552.db2.gz RYPMYXKUFKJQTQ-WFASDCNBSA-N 2 2 247.386 2.640 20 0 BFADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccco1 ZINC000423269629 388049241 /nfs/dbraw/zinc/04/92/41/388049241.db2.gz VZHAPUVHYSQGPX-WCQYABFASA-N 2 2 236.359 2.838 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449197212 388156093 /nfs/dbraw/zinc/15/60/93/388156093.db2.gz VBKSIVKVXQABSS-SCRDCRAPSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449197212 388156095 /nfs/dbraw/zinc/15/60/95/388156095.db2.gz VBKSIVKVXQABSS-SCRDCRAPSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449212016 388157635 /nfs/dbraw/zinc/15/76/35/388157635.db2.gz SMCJBUMDNIOJAZ-CYBMUJFWSA-N 2 2 244.338 2.746 20 0 BFADLP Cc1cccc(CC[NH2+]C2(C[NH+](C)C)CCC2)c1 ZINC000449299976 388169948 /nfs/dbraw/zinc/16/99/48/388169948.db2.gz BXWBSIQGZBLQQT-UHFFFAOYSA-N 2 2 246.398 2.611 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CCCC[C@H]1C ZINC000449101172 388141944 /nfs/dbraw/zinc/14/19/44/388141944.db2.gz DLTQOGTWLSFMEE-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CCCC[C@H]1C ZINC000449101172 388141946 /nfs/dbraw/zinc/14/19/46/388141946.db2.gz DLTQOGTWLSFMEE-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](CC)C1CCC1 ZINC000449142290 388141987 /nfs/dbraw/zinc/14/19/87/388141987.db2.gz GIQSWECQVLLJFL-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](CC)C1CCC1 ZINC000449142290 388141989 /nfs/dbraw/zinc/14/19/89/388141989.db2.gz GIQSWECQVLLJFL-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449147098 388148598 /nfs/dbraw/zinc/14/85/98/388148598.db2.gz PNOPHMTXXDLLAP-ZDUSSCGKSA-N 2 2 238.375 2.532 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449147098 388148599 /nfs/dbraw/zinc/14/85/99/388148599.db2.gz PNOPHMTXXDLLAP-ZDUSSCGKSA-N 2 2 238.375 2.532 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000646139083 388153670 /nfs/dbraw/zinc/15/36/70/388153670.db2.gz SCXLCRUFBHSJRY-LSDHHAIUSA-N 2 2 234.387 2.559 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000646139083 388153671 /nfs/dbraw/zinc/15/36/71/388153671.db2.gz SCXLCRUFBHSJRY-LSDHHAIUSA-N 2 2 234.387 2.559 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C(C)(F)F ZINC000449412785 388198023 /nfs/dbraw/zinc/19/80/23/388198023.db2.gz GQBVIQDWYLMSET-LLVKDONJSA-N 2 2 242.313 2.956 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C(C)(F)F ZINC000449412786 388198354 /nfs/dbraw/zinc/19/83/54/388198354.db2.gz GQBVIQDWYLMSET-NSHDSACASA-N 2 2 242.313 2.956 20 0 BFADLP C[C@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000449444665 388207930 /nfs/dbraw/zinc/20/79/30/388207930.db2.gz CUSNXAFSYJRVDK-JTQLQIEISA-N 2 2 247.367 2.822 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c[nH+]2)CC(C)(C)C1 ZINC000313263275 256545616 /nfs/dbraw/zinc/54/56/16/256545616.db2.gz LRNRROOOGODSHZ-GXTWGEPZSA-N 2 2 249.402 2.767 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C2CCC2)C1 ZINC000449485746 388215862 /nfs/dbraw/zinc/21/58/62/388215862.db2.gz OOBFPSYRVJUHND-GXTWGEPZSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C2CCC2)C1 ZINC000449485746 388215865 /nfs/dbraw/zinc/21/58/65/388215865.db2.gz OOBFPSYRVJUHND-GXTWGEPZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000449557717 388231897 /nfs/dbraw/zinc/23/18/97/388231897.db2.gz SLKXCEZRJWIGKM-BFHYXJOUSA-N 2 2 234.387 2.718 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000459421313 388243978 /nfs/dbraw/zinc/24/39/78/388243978.db2.gz YRQNHGRKSBPCKV-HIFRSBDPSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000459421313 388243979 /nfs/dbraw/zinc/24/39/79/388243979.db2.gz YRQNHGRKSBPCKV-HIFRSBDPSA-N 2 2 249.402 2.863 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C(C)C)C1CC1 ZINC000163527926 388364698 /nfs/dbraw/zinc/36/46/98/388364698.db2.gz SSANLGGGKUVFKM-CQSZACIVSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C(C)C)C1CC1 ZINC000163527926 388364703 /nfs/dbraw/zinc/36/47/03/388364703.db2.gz SSANLGGGKUVFKM-CQSZACIVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000235708337 388373989 /nfs/dbraw/zinc/37/39/89/388373989.db2.gz DXASDLCIYYZFTG-LLVKDONJSA-N 2 2 244.791 2.572 20 0 BFADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000235708337 388373991 /nfs/dbraw/zinc/37/39/91/388373991.db2.gz DXASDLCIYYZFTG-LLVKDONJSA-N 2 2 244.791 2.572 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000324185145 388379802 /nfs/dbraw/zinc/37/98/02/388379802.db2.gz VTPUGVWBJVMERV-WHOFXGATSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000324185145 388379803 /nfs/dbraw/zinc/37/98/03/388379803.db2.gz VTPUGVWBJVMERV-WHOFXGATSA-N 2 2 236.403 2.636 20 0 BFADLP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC[NH+](C)C)cc1 ZINC000572846413 388380756 /nfs/dbraw/zinc/38/07/56/388380756.db2.gz ZJMMDGMQPBJURA-HOTGVXAUSA-N 2 2 246.398 2.782 20 0 BFADLP CC(C)CCC[NH2+]CCCCn1cc[nH+]c1 ZINC000165226589 388394506 /nfs/dbraw/zinc/39/45/06/388394506.db2.gz PJGBXTQZARBKPO-UHFFFAOYSA-N 2 2 223.364 2.689 20 0 BFADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCC1 ZINC000322693610 388443624 /nfs/dbraw/zinc/44/36/24/388443624.db2.gz MRDXKHCIOQXIBU-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000308618451 388444824 /nfs/dbraw/zinc/44/48/24/388444824.db2.gz WNWDAPALOAWKQU-ZDUSSCGKSA-N 2 2 234.387 2.720 20 0 BFADLP Cc1cc2[nH+]cn(CC[C@H]3CC[NH2+]C3)c2cc1C ZINC000335661840 388454540 /nfs/dbraw/zinc/45/45/40/388454540.db2.gz WDVWUHNZVCSLBP-CYBMUJFWSA-N 2 2 243.354 2.653 20 0 BFADLP CC(C)CC(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309691970 388461774 /nfs/dbraw/zinc/46/17/74/388461774.db2.gz QAXTVZJGXLXCTI-CHWSQXEVSA-N 2 2 226.408 2.598 20 0 BFADLP CC(C)CC(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309691970 388461775 /nfs/dbraw/zinc/46/17/75/388461775.db2.gz QAXTVZJGXLXCTI-CHWSQXEVSA-N 2 2 226.408 2.598 20 0 BFADLP CCC1CCC([NH2+]CC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000525288235 388424325 /nfs/dbraw/zinc/42/43/25/388424325.db2.gz LSAQTTIXDCKQQQ-WLYUNCDWSA-N 2 2 238.419 2.887 20 0 BFADLP CCC1CCC([NH2+]CC[N@H+]2CC[C@@H](C)C2)CC1 ZINC000525288235 388424328 /nfs/dbraw/zinc/42/43/28/388424328.db2.gz LSAQTTIXDCKQQQ-WLYUNCDWSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccoc1 ZINC000166569796 388428346 /nfs/dbraw/zinc/42/83/46/388428346.db2.gz QUHXZFUWLBGJKF-GFCCVEGCSA-N 2 2 224.348 2.661 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccoc1 ZINC000166569796 388428349 /nfs/dbraw/zinc/42/83/49/388428349.db2.gz QUHXZFUWLBGJKF-GFCCVEGCSA-N 2 2 224.348 2.661 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)C1CCC1 ZINC000322500979 388435926 /nfs/dbraw/zinc/43/59/26/388435926.db2.gz CGXGWMNFDGCIRO-RISCZKNCSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C1CCC1 ZINC000322500979 388435929 /nfs/dbraw/zinc/43/59/29/388435929.db2.gz CGXGWMNFDGCIRO-RISCZKNCSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](CC)C1CC1 ZINC000167199104 388439120 /nfs/dbraw/zinc/43/91/20/388439120.db2.gz HXFQOBCBYYBKMT-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](CC)C1CC1 ZINC000167199104 388439122 /nfs/dbraw/zinc/43/91/22/388439122.db2.gz HXFQOBCBYYBKMT-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]CC1(C)CC1 ZINC000517223344 388543253 /nfs/dbraw/zinc/54/32/53/388543253.db2.gz QDRVQDAZUKRTBY-AWEZNQCLSA-N 2 2 232.371 2.639 20 0 BFADLP C[NH+](C)C1(C[NH2+]CC2CCCCCC2)CC1 ZINC000397779300 388498046 /nfs/dbraw/zinc/49/80/46/388498046.db2.gz OFMOJZLXTPCJFY-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@H]1CC1(C)C ZINC000397781007 388498992 /nfs/dbraw/zinc/49/89/92/388498992.db2.gz OKLWNTIBTZMUHH-XQQFMLRXSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397790765 388499354 /nfs/dbraw/zinc/49/93/54/388499354.db2.gz DAUVNABQCIXILY-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397790768 388499728 /nfs/dbraw/zinc/49/97/28/388499728.db2.gz DAUVNABQCIXILY-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397801543 388500067 /nfs/dbraw/zinc/50/00/67/388500067.db2.gz LSTYZQHFUWTGIX-TZMCWYRMSA-N 2 2 236.403 2.663 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000397800469 388500599 /nfs/dbraw/zinc/50/05/99/388500599.db2.gz LFZNXJXRCXBXMU-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CC1(C)C ZINC000397809324 388501211 /nfs/dbraw/zinc/50/12/11/388501211.db2.gz NYWYTUGBTKQYAU-VXGBXAGGSA-N 2 2 226.408 2.741 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CC1 ZINC000397811281 388502139 /nfs/dbraw/zinc/50/21/39/388502139.db2.gz PDGMHIVTHXMAAC-UONOGXRCSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000397822028 388502567 /nfs/dbraw/zinc/50/25/67/388502567.db2.gz LAPGLXMOHORTLZ-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)[C@@H]1CC1(C)C ZINC000397854683 388506181 /nfs/dbraw/zinc/50/61/81/388506181.db2.gz SVNQKRNNZWRMMK-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397884259 388509225 /nfs/dbraw/zinc/50/92/25/388509225.db2.gz MNDULECLUJTBSL-QWHCGFSZSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC(CCC)[NH2+]CC1([NH+](C)C)CC1 ZINC000397974570 388513545 /nfs/dbraw/zinc/51/35/45/388513545.db2.gz OGRSUWJJCJGEOL-UHFFFAOYSA-N 2 2 212.381 2.639 20 0 BFADLP C/C(Cl)=C\C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528397655 388519830 /nfs/dbraw/zinc/51/98/30/388519830.db2.gz RCXZOTDOKYJDFM-VDUSXYPOSA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C\C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528397655 388519832 /nfs/dbraw/zinc/51/98/32/388519832.db2.gz RCXZOTDOKYJDFM-VDUSXYPOSA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C\C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528397655 388519834 /nfs/dbraw/zinc/51/98/34/388519834.db2.gz RCXZOTDOKYJDFM-VDUSXYPOSA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C\C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528397655 388519835 /nfs/dbraw/zinc/51/98/35/388519835.db2.gz RCXZOTDOKYJDFM-VDUSXYPOSA-N 2 2 230.783 2.544 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)CC ZINC000577818643 388523746 /nfs/dbraw/zinc/52/37/46/388523746.db2.gz BLISVCXVAOJAMH-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)CC ZINC000577818643 388523749 /nfs/dbraw/zinc/52/37/49/388523749.db2.gz BLISVCXVAOJAMH-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C/C(Cl)=C\C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000528479451 388529914 /nfs/dbraw/zinc/52/99/14/388529914.db2.gz WSCNFLQCMNDODX-IGEMTJHASA-N 2 2 230.783 2.545 20 0 BFADLP C/C(Cl)=C\C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000528479451 388529915 /nfs/dbraw/zinc/52/99/15/388529915.db2.gz WSCNFLQCMNDODX-IGEMTJHASA-N 2 2 230.783 2.545 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000516988581 388531071 /nfs/dbraw/zinc/53/10/71/388531071.db2.gz ZWKWESCWWNGFGL-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C(C)(C)C)C1 ZINC000516988581 388531075 /nfs/dbraw/zinc/53/10/75/388531075.db2.gz ZWKWESCWWNGFGL-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP C/C(Cl)=C/C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528507801 388536625 /nfs/dbraw/zinc/53/66/25/388536625.db2.gz UXAKKHNXPGKYAZ-RCNSNYRISA-N 2 2 242.794 2.686 20 0 BFADLP C/C(Cl)=C/C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528507801 388536628 /nfs/dbraw/zinc/53/66/28/388536628.db2.gz UXAKKHNXPGKYAZ-RCNSNYRISA-N 2 2 242.794 2.686 20 0 BFADLP C/C(Cl)=C/C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000528507801 388536629 /nfs/dbraw/zinc/53/66/29/388536629.db2.gz UXAKKHNXPGKYAZ-RCNSNYRISA-N 2 2 242.794 2.686 20 0 BFADLP C/C(Cl)=C/C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000528507801 388536631 /nfs/dbraw/zinc/53/66/31/388536631.db2.gz UXAKKHNXPGKYAZ-RCNSNYRISA-N 2 2 242.794 2.686 20 0 BFADLP Cc1c[nH+]ccc1Cn1cc[nH+]c1C(C)C ZINC000530106949 388608836 /nfs/dbraw/zinc/60/88/36/388608836.db2.gz BUBWXEJYXPXTLN-UHFFFAOYSA-N 2 2 215.300 2.758 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000550937613 388618331 /nfs/dbraw/zinc/61/83/31/388618331.db2.gz KFTZZESSJKOSEA-IPYPFGDCSA-N 2 2 234.387 2.558 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000550937613 388618333 /nfs/dbraw/zinc/61/83/33/388618333.db2.gz KFTZZESSJKOSEA-IPYPFGDCSA-N 2 2 234.387 2.558 20 0 BFADLP C[N@@H+]1CCCC[C@H]1CCn1cc[nH+]c1C1CC1 ZINC000530131553 388615107 /nfs/dbraw/zinc/61/51/07/388615107.db2.gz OGKUGFJTCRPTME-ZDUSSCGKSA-N 2 2 233.359 2.635 20 0 BFADLP C[N@H+]1CCCC[C@H]1CCn1cc[nH+]c1C1CC1 ZINC000530131553 388615108 /nfs/dbraw/zinc/61/51/08/388615108.db2.gz OGKUGFJTCRPTME-ZDUSSCGKSA-N 2 2 233.359 2.635 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000247957821 388671794 /nfs/dbraw/zinc/67/17/94/388671794.db2.gz FUYVUNKUIRVBKK-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000247957821 388671795 /nfs/dbraw/zinc/67/17/95/388671795.db2.gz FUYVUNKUIRVBKK-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530179162 388622220 /nfs/dbraw/zinc/62/22/20/388622220.db2.gz URFPKWCKRRBOOY-HNNXBMFYSA-N 2 2 244.382 2.623 20 0 BFADLP C[C@H](C[N@H+](C)CC(C)(C)[NH3+])C1CCCCC1 ZINC000530247648 388639600 /nfs/dbraw/zinc/63/96/00/388639600.db2.gz BLWBRSYGVZDDNM-GFCCVEGCSA-N 2 2 226.408 2.872 20 0 BFADLP C[C@H](C[N@@H+](C)CC(C)(C)[NH3+])C1CCCCC1 ZINC000530247648 388639603 /nfs/dbraw/zinc/63/96/03/388639603.db2.gz BLWBRSYGVZDDNM-GFCCVEGCSA-N 2 2 226.408 2.872 20 0 BFADLP C[C@@H]([N@H+](C)CCCn1cc[nH+]c1)C(C)(C)C ZINC000538350615 388685024 /nfs/dbraw/zinc/68/50/24/388685024.db2.gz MLVINRMXXIUVTB-GFCCVEGCSA-N 2 2 223.364 2.640 20 0 BFADLP C[C@@H]([N@@H+](C)CCCn1cc[nH+]c1)C(C)(C)C ZINC000538350615 388685025 /nfs/dbraw/zinc/68/50/25/388685025.db2.gz MLVINRMXXIUVTB-GFCCVEGCSA-N 2 2 223.364 2.640 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000328513825 388644495 /nfs/dbraw/zinc/64/44/95/388644495.db2.gz OTTVQXXTJOLVLQ-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000328513825 388644497 /nfs/dbraw/zinc/64/44/97/388644497.db2.gz OTTVQXXTJOLVLQ-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1(C)CC1 ZINC000246839290 388653038 /nfs/dbraw/zinc/65/30/38/388653038.db2.gz CBMQZVONYOIKSN-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1(C)CC1 ZINC000246839290 388653039 /nfs/dbraw/zinc/65/30/39/388653039.db2.gz CBMQZVONYOIKSN-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000124235238 388661175 /nfs/dbraw/zinc/66/11/75/388661175.db2.gz LTBBZQAVTDUUOT-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000124235238 388661179 /nfs/dbraw/zinc/66/11/79/388661179.db2.gz LTBBZQAVTDUUOT-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000124235667 388661594 /nfs/dbraw/zinc/66/15/94/388661594.db2.gz LTBBZQAVTDUUOT-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000124235667 388661597 /nfs/dbraw/zinc/66/15/97/388661597.db2.gz LTBBZQAVTDUUOT-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000539079673 388747203 /nfs/dbraw/zinc/74/72/03/388747203.db2.gz LVZNSSOUQICTQN-UHOFOFEASA-N 2 2 244.382 2.522 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000539079673 388747204 /nfs/dbraw/zinc/74/72/04/388747204.db2.gz LVZNSSOUQICTQN-UHOFOFEASA-N 2 2 244.382 2.522 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000226771402 388729352 /nfs/dbraw/zinc/72/93/52/388729352.db2.gz FURWIVBBQXJYEL-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000226771402 388729355 /nfs/dbraw/zinc/72/93/55/388729355.db2.gz FURWIVBBQXJYEL-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C[C@H]1C ZINC000554094317 388800046 /nfs/dbraw/zinc/80/00/46/388800046.db2.gz DBEMWZMXPDJPCL-BARDWOONSA-N 2 2 240.435 2.987 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000252709658 388772786 /nfs/dbraw/zinc/77/27/86/388772786.db2.gz DLASSNHLXXQORP-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000252709658 388772793 /nfs/dbraw/zinc/77/27/93/388772793.db2.gz DLASSNHLXXQORP-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000252713737 388775166 /nfs/dbraw/zinc/77/51/66/388775166.db2.gz QBHZKLZMACNJOT-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000252713737 388775168 /nfs/dbraw/zinc/77/51/68/388775168.db2.gz QBHZKLZMACNJOT-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000231747062 388841835 /nfs/dbraw/zinc/84/18/35/388841835.db2.gz YORNWDMAOLSBQA-RFGFWPKPSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000231747062 388841837 /nfs/dbraw/zinc/84/18/37/388841837.db2.gz YORNWDMAOLSBQA-RFGFWPKPSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@@H]2C)n1C ZINC000565236619 388929421 /nfs/dbraw/zinc/92/94/21/388929421.db2.gz CQOPEPYEJNZUOF-DYEKYZERSA-N 2 2 249.402 2.890 20 0 BFADLP CC[C@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000565259652 388933012 /nfs/dbraw/zinc/93/30/12/388933012.db2.gz YNIFFUXGYBBLLH-GXTWGEPZSA-N 2 2 247.386 2.888 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC1(C)C ZINC000289079644 388990357 /nfs/dbraw/zinc/99/03/57/388990357.db2.gz DCLKADCCBNKNNQ-CYBMUJFWSA-N 2 2 218.344 2.711 20 0 BFADLP Cc1cc[nH+]c(N2CC[NH+](CCC(C)C)CC2)c1 ZINC000301656505 132255943 /nfs/dbraw/zinc/25/59/43/132255943.db2.gz VKFWIWOTDZMKLH-UHFFFAOYSA-N 2 2 247.386 2.558 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CCCC1)CCC2 ZINC000334253010 133605747 /nfs/dbraw/zinc/60/57/47/133605747.db2.gz LPDWOUKZGVPCNQ-GFCCVEGCSA-N 2 2 233.359 2.601 20 0 BFADLP Cc1ccc(C2CC([NH2+][C@H](C)C[NH+](C)C)C2)cc1 ZINC000168699469 134242913 /nfs/dbraw/zinc/24/29/13/134242913.db2.gz LWOGJXAIUVLNIV-IUDNXUCKSA-N 2 2 246.398 2.781 20 0 BFADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000218755969 134260049 /nfs/dbraw/zinc/26/00/49/134260049.db2.gz BADWLNBHNLABGL-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C1=CC[C@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000179642150 134323132 /nfs/dbraw/zinc/32/31/32/134323132.db2.gz GIVQUGXDIINDBI-HOTGVXAUSA-N 2 2 248.414 2.903 20 0 BFADLP C1=CC[C@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000179642150 134323133 /nfs/dbraw/zinc/32/31/33/134323133.db2.gz GIVQUGXDIINDBI-HOTGVXAUSA-N 2 2 248.414 2.903 20 0 BFADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000221671412 134325847 /nfs/dbraw/zinc/32/58/47/134325847.db2.gz QRKNMZSPZNFYGO-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000221959014 134326638 /nfs/dbraw/zinc/32/66/38/134326638.db2.gz AHYLQZWGWYVWSR-RQJABVFESA-N 2 2 235.375 2.686 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227601723 134387977 /nfs/dbraw/zinc/38/79/77/134387977.db2.gz UKGCIJPAOZGRHU-JHJVBQTASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000227870792 134391604 /nfs/dbraw/zinc/39/16/04/134391604.db2.gz XUHHJLHRZWYETM-BPLDGKMQSA-N 2 2 247.386 2.830 20 0 BFADLP CC[NH+](CC)CC[NH2+]C1CCC(C)(C)CC1 ZINC000070653819 135005805 /nfs/dbraw/zinc/00/58/05/135005805.db2.gz LYVPRKPGIZTJOX-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000250437880 135055044 /nfs/dbraw/zinc/05/50/44/135055044.db2.gz OFOZWGCEYUEUHN-STQMWFEESA-N 2 2 248.370 2.558 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000250437880 135055045 /nfs/dbraw/zinc/05/50/45/135055045.db2.gz OFOZWGCEYUEUHN-STQMWFEESA-N 2 2 248.370 2.558 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C[C@H]1C ZINC000251649907 135073853 /nfs/dbraw/zinc/07/38/53/135073853.db2.gz FNBVURIXLJHKGF-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000252729568 135103997 /nfs/dbraw/zinc/10/39/97/135103997.db2.gz HGLVADJKJAGJTF-QWHCGFSZSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000252729568 135103999 /nfs/dbraw/zinc/10/39/99/135103999.db2.gz HGLVADJKJAGJTF-QWHCGFSZSA-N 2 2 212.381 2.624 20 0 BFADLP C[NH+](C)C1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255268899 135129095 /nfs/dbraw/zinc/12/90/95/135129095.db2.gz WHDQSRIBGZLASN-TWGQIWQCSA-N 2 2 244.382 2.726 20 0 BFADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000259947772 135146095 /nfs/dbraw/zinc/14/60/95/135146095.db2.gz GMMFXLIKXXWZCB-LBPRGKRZSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000259947772 135146097 /nfs/dbraw/zinc/14/60/97/135146097.db2.gz GMMFXLIKXXWZCB-LBPRGKRZSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000261529455 135155771 /nfs/dbraw/zinc/15/57/71/135155771.db2.gz AUBIKQYPYMAQLM-GUBZILKMSA-N 2 2 226.751 2.726 20 0 BFADLP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261535446 135169362 /nfs/dbraw/zinc/16/93/62/135169362.db2.gz YYLFQYYRDMIALZ-GIPNMCIBSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261535446 135169363 /nfs/dbraw/zinc/16/93/63/135169363.db2.gz YYLFQYYRDMIALZ-GIPNMCIBSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@H](C[NH3+])[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000261539034 135177233 /nfs/dbraw/zinc/17/72/33/135177233.db2.gz BKPOJLGXZMHPED-MRVPVSSYSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000261539034 135177234 /nfs/dbraw/zinc/17/72/34/135177234.db2.gz BKPOJLGXZMHPED-MRVPVSSYSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000261548668 135187241 /nfs/dbraw/zinc/18/72/41/135187241.db2.gz NVAXZAIIBYTCCS-DTWKUNHWSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261548668 135187242 /nfs/dbraw/zinc/18/72/42/135187242.db2.gz NVAXZAIIBYTCCS-DTWKUNHWSA-N 2 2 244.791 2.571 20 0 BFADLP CC[N@H+](CC[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000261553553 135192859 /nfs/dbraw/zinc/19/28/59/135192859.db2.gz NZVGUCBFVUZXRP-NSHDSACASA-N 2 2 232.327 2.774 20 0 BFADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1cc2ccccc2o1 ZINC000261553553 135192861 /nfs/dbraw/zinc/19/28/61/135192861.db2.gz NZVGUCBFVUZXRP-NSHDSACASA-N 2 2 232.327 2.774 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261564697 135207243 /nfs/dbraw/zinc/20/72/43/135207243.db2.gz HJQYFYSWSMZMLG-CZUORRHYSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261564697 135207245 /nfs/dbraw/zinc/20/72/45/135207245.db2.gz HJQYFYSWSMZMLG-CZUORRHYSA-N 2 2 246.398 2.807 20 0 BFADLP C[C@]1(C[NH3+])CC[N@H+](Cc2ccsc2Cl)C1 ZINC000261592399 135232951 /nfs/dbraw/zinc/23/29/51/135232951.db2.gz VUSUZZXAYSZOLG-LLVKDONJSA-N 2 2 244.791 2.572 20 0 BFADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261592399 135232952 /nfs/dbraw/zinc/23/29/52/135232952.db2.gz VUSUZZXAYSZOLG-LLVKDONJSA-N 2 2 244.791 2.572 20 0 BFADLP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261593607 135234495 /nfs/dbraw/zinc/23/44/95/135234495.db2.gz WZGSRXLIMPNWMS-RYUDHWBXSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261593607 135234496 /nfs/dbraw/zinc/23/44/96/135234496.db2.gz WZGSRXLIMPNWMS-RYUDHWBXSA-N 2 2 212.381 2.624 20 0 BFADLP CCCc1cccc(C[N@@H+]2CCC[C@@H]([NH2+]C)C2)c1 ZINC000261933977 135264660 /nfs/dbraw/zinc/26/46/60/135264660.db2.gz DAYWOFBKDQXJSU-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1cccc(C[N@H+]2CCC[C@@H]([NH2+]C)C2)c1 ZINC000261933977 135264661 /nfs/dbraw/zinc/26/46/61/135264661.db2.gz DAYWOFBKDQXJSU-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC(C)(C)[NH+](C)C ZINC000342395865 135270968 /nfs/dbraw/zinc/27/09/68/135270968.db2.gz FJASDIYOTACBBA-ZIAGYGMSSA-N 2 2 238.419 2.909 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000342586051 135292934 /nfs/dbraw/zinc/29/29/34/135292934.db2.gz ZCZUKXNQZKSFNA-OLZOCXBDSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000342586051 135292936 /nfs/dbraw/zinc/29/29/36/135292936.db2.gz ZCZUKXNQZKSFNA-OLZOCXBDSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000342607190 135302709 /nfs/dbraw/zinc/30/27/09/135302709.db2.gz OTKFWXCIEBQCOF-YUELXQCFSA-N 2 2 247.386 2.845 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000342607190 135302711 /nfs/dbraw/zinc/30/27/11/135302711.db2.gz OTKFWXCIEBQCOF-YUELXQCFSA-N 2 2 247.386 2.845 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000342607188 135303120 /nfs/dbraw/zinc/30/31/20/135303120.db2.gz OTKFWXCIEBQCOF-VHDGCEQUSA-N 2 2 247.386 2.845 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000342607188 135303122 /nfs/dbraw/zinc/30/31/22/135303122.db2.gz OTKFWXCIEBQCOF-VHDGCEQUSA-N 2 2 247.386 2.845 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000342611752 135303136 /nfs/dbraw/zinc/30/31/36/135303136.db2.gz FWSUREHZYPWHBW-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000342611752 135303138 /nfs/dbraw/zinc/30/31/38/135303138.db2.gz FWSUREHZYPWHBW-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC1(C)C ZINC000342697956 135306727 /nfs/dbraw/zinc/30/67/27/135306727.db2.gz LOHZYNJVUIXZMC-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC1(C)C ZINC000342697956 135306729 /nfs/dbraw/zinc/30/67/29/135306729.db2.gz LOHZYNJVUIXZMC-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000262900119 135323211 /nfs/dbraw/zinc/32/32/11/135323211.db2.gz DMOOAAITMCIJRU-HNNXBMFYSA-N 2 2 232.371 2.871 20 0 BFADLP Cc1cccc([C@@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000262900119 135323213 /nfs/dbraw/zinc/32/32/13/135323213.db2.gz DMOOAAITMCIJRU-HNNXBMFYSA-N 2 2 232.371 2.871 20 0 BFADLP CC1(C)CCC([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000079621033 135341742 /nfs/dbraw/zinc/34/17/42/135341742.db2.gz HZEPOOUEAATTOD-UHFFFAOYSA-N 2 2 235.375 2.832 20 0 BFADLP c1cn(CCC[NH2+][C@H]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000081626897 135388243 /nfs/dbraw/zinc/38/82/43/135388243.db2.gz UYLJIJASERAJSU-GJZGRUSLSA-N 2 2 247.386 2.832 20 0 BFADLP c1cn(CCC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000081626900 135388886 /nfs/dbraw/zinc/38/88/86/135388886.db2.gz UYLJIJASERAJSU-HUUCEWRRSA-N 2 2 247.386 2.832 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334415214 135397395 /nfs/dbraw/zinc/39/73/95/135397395.db2.gz NOCPITQUJKINAX-FZMZJTMJSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334415214 135397397 /nfs/dbraw/zinc/39/73/97/135397397.db2.gz NOCPITQUJKINAX-FZMZJTMJSA-N 2 2 247.386 2.825 20 0 BFADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000335282858 136000480 /nfs/dbraw/zinc/00/04/80/136000480.db2.gz XGQHGOHZEVDVFS-ZIAGYGMSSA-N 2 2 244.338 2.792 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCc1c[nH+]cn1C ZINC000347744591 136010771 /nfs/dbraw/zinc/01/07/71/136010771.db2.gz GSSWQTAAUOGQMP-VNHYZAJKSA-N 2 2 247.386 2.616 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCc1c[nH+]cn1C ZINC000347744591 136010772 /nfs/dbraw/zinc/01/07/72/136010772.db2.gz GSSWQTAAUOGQMP-VNHYZAJKSA-N 2 2 247.386 2.616 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000347752885 136011210 /nfs/dbraw/zinc/01/12/10/136011210.db2.gz TVONRMWNEGWGKW-HNNXBMFYSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000347752885 136011211 /nfs/dbraw/zinc/01/12/11/136011211.db2.gz TVONRMWNEGWGKW-HNNXBMFYSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC1(C)C ZINC000348053094 136031446 /nfs/dbraw/zinc/03/14/46/136031446.db2.gz ZUUROFXMDNFBPH-AWEZNQCLSA-N 2 2 232.371 2.958 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)[N@H+](C)C1CC1 ZINC000348123616 136033131 /nfs/dbraw/zinc/03/31/31/136033131.db2.gz VPECQGNGQGHXOS-KWCYVHTRSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)[N@@H+](C)C1CC1 ZINC000348123616 136033132 /nfs/dbraw/zinc/03/31/32/136033132.db2.gz VPECQGNGQGHXOS-KWCYVHTRSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000348104958 136036780 /nfs/dbraw/zinc/03/67/80/136036780.db2.gz NIVRTQVMOXHKIY-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CC[C@H]1C(C)(C)C)C1CC1 ZINC000348115734 136037850 /nfs/dbraw/zinc/03/78/50/136037850.db2.gz IDTCCYPLHSKUBN-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@H]1C(C)(C)C)C1CC1 ZINC000348115734 136037851 /nfs/dbraw/zinc/03/78/51/136037851.db2.gz IDTCCYPLHSKUBN-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C[NH+](C)C)CCC2 ZINC000348273897 136058654 /nfs/dbraw/zinc/05/86/54/136058654.db2.gz AHZLQPPTVKCOCB-XJKSGUPXSA-N 2 2 246.398 2.912 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000348287932 136061728 /nfs/dbraw/zinc/06/17/28/136061728.db2.gz IREUMDYRHSZDAE-MNOVXSKESA-N 2 2 248.361 2.740 20 0 BFADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000348294198 136062698 /nfs/dbraw/zinc/06/26/98/136062698.db2.gz QGSQNECPTIDTTE-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000348294198 136062699 /nfs/dbraw/zinc/06/26/99/136062699.db2.gz QGSQNECPTIDTTE-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc([C@@H]([NH2+]CC[NH+](C)C)C2CCC2)cc1 ZINC000348308820 136066462 /nfs/dbraw/zinc/06/64/62/136066462.db2.gz AJJBENPHVVKRLW-INIZCTEOSA-N 2 2 246.398 2.987 20 0 BFADLP CCC[C@H](Cc1ccccc1)[NH2+]CC[NH+](C)C ZINC000348413019 136077334 /nfs/dbraw/zinc/07/73/34/136077334.db2.gz OTRMMKGKPROAQA-OAHLLOKOSA-N 2 2 234.387 2.549 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCC13CCCC3)C2 ZINC000335375044 136085229 /nfs/dbraw/zinc/08/52/29/136085229.db2.gz VQEZYDWYXBIREZ-FZMZJTMJSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC13CCCC3)CC2 ZINC000335375044 136085230 /nfs/dbraw/zinc/08/52/30/136085230.db2.gz VQEZYDWYXBIREZ-FZMZJTMJSA-N 2 2 245.370 2.579 20 0 BFADLP CCc1ccc(C[NH2+]CCCn2cc[nH+]c2)s1 ZINC000051717423 322851333 /nfs/dbraw/zinc/85/13/33/322851333.db2.gz CGTWSVIFJJXKHP-UHFFFAOYSA-N 2 2 249.383 2.687 20 0 BFADLP CC(C)C1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000054554434 322856385 /nfs/dbraw/zinc/85/63/85/322856385.db2.gz YEWRARZUDVBBHU-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]1CC[C@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000309937017 397872550 /nfs/dbraw/zinc/87/25/50/397872550.db2.gz AGQGIPVMTPPFTN-GXTWGEPZSA-N 2 2 218.344 2.711 20 0 BFADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000182173865 397824923 /nfs/dbraw/zinc/82/49/23/397824923.db2.gz HODRBUSLWHNWDB-KBPBESRZSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000182173865 397824927 /nfs/dbraw/zinc/82/49/27/397824927.db2.gz HODRBUSLWHNWDB-KBPBESRZSA-N 2 2 246.398 2.895 20 0 BFADLP CCCC[C@H]1CCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000449555232 397955794 /nfs/dbraw/zinc/95/57/94/397955794.db2.gz GKZIXQTVYNITQA-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)[NH+](C)C ZINC000449555868 397956122 /nfs/dbraw/zinc/95/61/22/397956122.db2.gz JVBXZVLOEQADJD-CWRNSKLLSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)cc1F ZINC000019958958 397962748 /nfs/dbraw/zinc/96/27/48/397962748.db2.gz ULNCWKOJPGJZKX-JTQLQIEISA-N 2 2 242.313 2.567 20 0 BFADLP COc1ccccc1[C@@H]1CCCC[N@@H+]1C[C@H](C)[NH3+] ZINC000647884338 397924546 /nfs/dbraw/zinc/92/45/46/397924546.db2.gz DOULXGJIZBQJIU-JSGCOSHPSA-N 2 2 248.370 2.569 20 0 BFADLP COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H](C)[NH3+] ZINC000647884338 397924551 /nfs/dbraw/zinc/92/45/51/397924551.db2.gz DOULXGJIZBQJIU-JSGCOSHPSA-N 2 2 248.370 2.569 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000649618056 398000382 /nfs/dbraw/zinc/00/03/82/398000382.db2.gz JMPOAKSCDKDNNH-CQSZACIVSA-N 2 2 246.398 2.914 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000649618056 398000384 /nfs/dbraw/zinc/00/03/84/398000384.db2.gz JMPOAKSCDKDNNH-CQSZACIVSA-N 2 2 246.398 2.914 20 0 BFADLP Cc1c[nH+]ccc1OC1CC[NH+](CC2CC2)CC1 ZINC000278581683 398039015 /nfs/dbraw/zinc/03/90/15/398039015.db2.gz DFGIVSWTWJDBAJ-UHFFFAOYSA-N 2 2 246.354 2.643 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000093066427 398093913 /nfs/dbraw/zinc/09/39/13/398093913.db2.gz UBEUGLHLVXAJSJ-OCCSQVGLSA-N 2 2 226.408 2.743 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000648450060 398051815 /nfs/dbraw/zinc/05/18/15/398051815.db2.gz QDSITXGLJPYGAI-CABCVRRESA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000648450060 398051816 /nfs/dbraw/zinc/05/18/16/398051816.db2.gz QDSITXGLJPYGAI-CABCVRRESA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000648450063 398052155 /nfs/dbraw/zinc/05/21/55/398052155.db2.gz QDSITXGLJPYGAI-LSDHHAIUSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000648450063 398052158 /nfs/dbraw/zinc/05/21/58/398052158.db2.gz QDSITXGLJPYGAI-LSDHHAIUSA-N 2 2 248.414 2.783 20 0 BFADLP c1[nH]c(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000280201111 398054457 /nfs/dbraw/zinc/05/44/57/398054457.db2.gz IYGZXOPQAFFMER-HUUCEWRRSA-N 2 2 241.338 2.836 20 0 BFADLP CC(C)c1ccc(CC[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000057956112 398105561 /nfs/dbraw/zinc/10/55/61/398105561.db2.gz PILLJUSWQZHAQM-INIZCTEOSA-N 2 2 246.398 2.776 20 0 BFADLP CC(C)c1ccc(CC[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000057956112 398105564 /nfs/dbraw/zinc/10/55/64/398105564.db2.gz PILLJUSWQZHAQM-INIZCTEOSA-N 2 2 246.398 2.776 20 0 BFADLP C[C@@H]1C[N@H+](Cc2c[nH+]c[nH]2)CCc2ccccc21 ZINC000649836084 398133445 /nfs/dbraw/zinc/13/34/45/398133445.db2.gz ZMQVPSKLBWTJCD-GFCCVEGCSA-N 2 2 241.338 2.572 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c[nH]2)CCc2ccccc21 ZINC000649836084 398133450 /nfs/dbraw/zinc/13/34/50/398133450.db2.gz ZMQVPSKLBWTJCD-GFCCVEGCSA-N 2 2 241.338 2.572 20 0 BFADLP c1ccc([C@@H]([NH2+]C[C@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000232460853 487596268 /nfs/dbraw/zinc/59/62/68/487596268.db2.gz PFNBXMYDJDHDLN-HZPDHXFCSA-N 2 2 244.382 2.869 20 0 BFADLP CC(C)(C)c1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000662243398 409533292 /nfs/dbraw/zinc/53/32/92/409533292.db2.gz CUEPCEACQSUMKG-OAHLLOKOSA-N 2 2 246.398 2.907 20 0 BFADLP CC(C)(C)c1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000662243398 409533301 /nfs/dbraw/zinc/53/33/01/409533301.db2.gz CUEPCEACQSUMKG-OAHLLOKOSA-N 2 2 246.398 2.907 20 0 BFADLP CC[C@@H](C)C[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647262488 410280088 /nfs/dbraw/zinc/28/00/88/410280088.db2.gz ADJJNXMNVDJOKM-GFCCVEGCSA-N 2 2 245.370 2.821 20 0 BFADLP CC1=CC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000556816397 322926970 /nfs/dbraw/zinc/92/69/70/322926970.db2.gz WDBAUXXZSVUPNB-LSDHHAIUSA-N 2 2 236.403 2.949 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000665296873 410816932 /nfs/dbraw/zinc/81/69/32/410816932.db2.gz YZJVOLQSFVRYEZ-ZANVPECISA-N 2 2 238.762 2.525 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2)[NH+](C)C ZINC000394425365 410792092 /nfs/dbraw/zinc/79/20/92/410792092.db2.gz BJZXCYIDFRBYQE-MMFDQKDXSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2)[NH+](C)C ZINC000394425363 410792731 /nfs/dbraw/zinc/79/27/31/410792731.db2.gz BJZXCYIDFRBYQE-FOZYDTHFSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000052417398 167007300 /nfs/dbraw/zinc/00/73/00/167007300.db2.gz PRKHMDSRCWVHNP-AWEZNQCLSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)C[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417398 167007303 /nfs/dbraw/zinc/00/73/03/167007303.db2.gz PRKHMDSRCWVHNP-AWEZNQCLSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)[NH2+]C[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000052381735 167109322 /nfs/dbraw/zinc/10/93/22/167109322.db2.gz OWANKRZIYLVXTR-AWEZNQCLSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[NH2+]C[C@H](c1cccs1)[NH+]1CCCC1 ZINC000075825520 167114785 /nfs/dbraw/zinc/11/47/85/167114785.db2.gz JYBRCIWYONFQCO-GFCCVEGCSA-N 2 2 238.400 2.883 20 0 BFADLP CC(C)[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000125677134 167132284 /nfs/dbraw/zinc/13/22/84/167132284.db2.gz JXYGUFFJWLHBEX-LBPRGKRZSA-N 2 2 229.327 2.931 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000045041892 167599993 /nfs/dbraw/zinc/59/99/93/167599993.db2.gz DJFODBKSCHEDIO-HNNXBMFYSA-N 2 2 232.371 2.652 20 0 BFADLP CCC1C[NH+](CCCc2ccc(C)[nH+]c2)C1 ZINC000651609457 411129878 /nfs/dbraw/zinc/12/98/78/411129878.db2.gz RDAXFZIGEFUYDE-UHFFFAOYSA-N 2 2 218.344 2.664 20 0 BFADLP C[C@H]1CCCCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000651832783 411146987 /nfs/dbraw/zinc/14/69/87/411146987.db2.gz CMJHMQVAEZBWHI-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@@H+]2CCCC2(C)C)C1 ZINC000659878016 411170186 /nfs/dbraw/zinc/17/01/86/411170186.db2.gz XARNPSHGDJPHDG-ZIAGYGMSSA-N 2 2 238.419 2.839 20 0 BFADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@H+]2CCCC2(C)C)C1 ZINC000659878016 411170188 /nfs/dbraw/zinc/17/01/88/411170188.db2.gz XARNPSHGDJPHDG-ZIAGYGMSSA-N 2 2 238.419 2.839 20 0 BFADLP Cc1ccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)cc1 ZINC000653684348 411176398 /nfs/dbraw/zinc/17/63/98/411176398.db2.gz GMTYQRFTZXWALF-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)cc1 ZINC000653684348 411176400 /nfs/dbraw/zinc/17/64/00/411176400.db2.gz GMTYQRFTZXWALF-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000653684348 411176404 /nfs/dbraw/zinc/17/64/04/411176404.db2.gz GMTYQRFTZXWALF-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)cc1 ZINC000653684348 411176407 /nfs/dbraw/zinc/17/64/07/411176407.db2.gz GMTYQRFTZXWALF-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000658096158 411243222 /nfs/dbraw/zinc/24/32/22/411243222.db2.gz OIEPAPHDMNDPAG-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000658096158 411243225 /nfs/dbraw/zinc/24/32/25/411243225.db2.gz OIEPAPHDMNDPAG-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000658013562 411197774 /nfs/dbraw/zinc/19/77/74/411197774.db2.gz VCFWJOGJKMDDSK-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000658013562 411197777 /nfs/dbraw/zinc/19/77/77/411197777.db2.gz VCFWJOGJKMDDSK-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC1([NH3+])CC[NH+](Cc2ccccc2Cl)CC1 ZINC000049829478 411245636 /nfs/dbraw/zinc/24/56/36/411245636.db2.gz JJHYAMBBFFUUGY-UHFFFAOYSA-N 2 2 238.762 2.653 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057580 411222281 /nfs/dbraw/zinc/22/22/81/411222281.db2.gz PIDRSCSMYXNDKU-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057580 411222282 /nfs/dbraw/zinc/22/22/82/411222282.db2.gz PIDRSCSMYXNDKU-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658058425 411225698 /nfs/dbraw/zinc/22/56/98/411225698.db2.gz SQMDDTAIAQIFMD-OLZOCXBDSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658058425 411225702 /nfs/dbraw/zinc/22/57/02/411225702.db2.gz SQMDDTAIAQIFMD-OLZOCXBDSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658058427 411225714 /nfs/dbraw/zinc/22/57/14/411225714.db2.gz SQMDDTAIAQIFMD-STQMWFEESA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658058427 411225720 /nfs/dbraw/zinc/22/57/20/411225720.db2.gz SQMDDTAIAQIFMD-STQMWFEESA-N 2 2 224.392 2.637 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059209 411225928 /nfs/dbraw/zinc/22/59/28/411225928.db2.gz WAUYSSDOMHBTAR-NEPJUHHUSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059209 411225929 /nfs/dbraw/zinc/22/59/29/411225929.db2.gz WAUYSSDOMHBTAR-NEPJUHHUSA-N 2 2 212.381 2.637 20 0 BFADLP c1[nH]cc(C2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)[nH+]1 ZINC000660093185 411229612 /nfs/dbraw/zinc/22/96/12/411229612.db2.gz CIQNJKYITDEKKR-UBSAEIQESA-N 2 2 245.370 2.635 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000658064346 411229709 /nfs/dbraw/zinc/22/97/09/411229709.db2.gz ZMUSMUMTMLXYPE-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000658064346 411229710 /nfs/dbraw/zinc/22/97/10/411229710.db2.gz ZMUSMUMTMLXYPE-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658091395 411241888 /nfs/dbraw/zinc/24/18/88/411241888.db2.gz MCMVSDQEDWJXBP-CHWSQXEVSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658091395 411241891 /nfs/dbraw/zinc/24/18/91/411241891.db2.gz MCMVSDQEDWJXBP-CHWSQXEVSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092325 411242013 /nfs/dbraw/zinc/24/20/13/411242013.db2.gz PPGSISWUKJUJCV-YNEHKIRRSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092325 411242015 /nfs/dbraw/zinc/24/20/15/411242015.db2.gz PPGSISWUKJUJCV-YNEHKIRRSA-N 2 2 226.408 2.883 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000653775363 411165068 /nfs/dbraw/zinc/16/50/68/411165068.db2.gz YSVZWFNNPPSXMD-ZFWWWQNUSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000653775363 411165074 /nfs/dbraw/zinc/16/50/74/411165074.db2.gz YSVZWFNNPPSXMD-ZFWWWQNUSA-N 2 2 247.386 2.617 20 0 BFADLP CC(C)CC1([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000658321796 411333119 /nfs/dbraw/zinc/33/31/19/411333119.db2.gz WTVGANAQBYAURY-JSGCOSHPSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)CC1([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000658321796 411333123 /nfs/dbraw/zinc/33/31/23/411333123.db2.gz WTVGANAQBYAURY-JSGCOSHPSA-N 2 2 236.403 2.637 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000658283294 411321105 /nfs/dbraw/zinc/32/11/05/411321105.db2.gz BMLDGBHNQXUQPY-BYNSBNAKSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000658283294 411321108 /nfs/dbraw/zinc/32/11/08/411321108.db2.gz BMLDGBHNQXUQPY-BYNSBNAKSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000658284417 411322195 /nfs/dbraw/zinc/32/21/95/411322195.db2.gz GCUMVLMUDCGTAF-SOUVJXGZSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000658284417 411322197 /nfs/dbraw/zinc/32/21/97/411322197.db2.gz GCUMVLMUDCGTAF-SOUVJXGZSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccncc2)C1 ZINC000658286121 411323063 /nfs/dbraw/zinc/32/30/63/411323063.db2.gz OWKRARNXDOCDOA-GJZGRUSLSA-N 2 2 247.386 2.607 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)c2ccncc2)C1 ZINC000658286121 411323064 /nfs/dbraw/zinc/32/30/64/411323064.db2.gz OWKRARNXDOCDOA-GJZGRUSLSA-N 2 2 247.386 2.607 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)C(F)F)C1 ZINC000658286030 411323076 /nfs/dbraw/zinc/32/30/76/411323076.db2.gz NPEVVTBIMGLOCO-WDEREUQCSA-N 2 2 248.361 2.740 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)C(F)F)C1 ZINC000658286030 411323078 /nfs/dbraw/zinc/32/30/78/411323078.db2.gz NPEVVTBIMGLOCO-WDEREUQCSA-N 2 2 248.361 2.740 20 0 BFADLP Cc1cc[nH+]c(NCc2[nH+]ccn2C)c1C1CC1 ZINC000656779164 411358110 /nfs/dbraw/zinc/35/81/10/411358110.db2.gz HZSIACQAOSJJMM-UHFFFAOYSA-N 2 2 242.326 2.613 20 0 BFADLP C[N@H+](CC[NH3+])Cc1cccc(C2CCCC2)c1 ZINC000656784907 411361120 /nfs/dbraw/zinc/36/11/20/411361120.db2.gz FDUKVVONSATRGL-UHFFFAOYSA-N 2 2 232.371 2.735 20 0 BFADLP C[N@@H+](CC[NH3+])Cc1cccc(C2CCCC2)c1 ZINC000656784907 411361124 /nfs/dbraw/zinc/36/11/24/411361124.db2.gz FDUKVVONSATRGL-UHFFFAOYSA-N 2 2 232.371 2.735 20 0 BFADLP Cc1cc(C)c([C@@H](C)[N@H+](C)CC[NH3+])c(C)c1 ZINC000054416782 411335039 /nfs/dbraw/zinc/33/50/39/411335039.db2.gz NXQZVKJLEVZWFE-CYBMUJFWSA-N 2 2 220.360 2.563 20 0 BFADLP Cc1cc(C)c([C@@H](C)[N@@H+](C)CC[NH3+])c(C)c1 ZINC000054416782 411335042 /nfs/dbraw/zinc/33/50/42/411335042.db2.gz NXQZVKJLEVZWFE-CYBMUJFWSA-N 2 2 220.360 2.563 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[N@@H+](C)C(C)C ZINC000359076790 168102544 /nfs/dbraw/zinc/10/25/44/168102544.db2.gz BNBWSVFHQFPDFC-HUUCEWRRSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[N@H+](C)C(C)C ZINC000359076790 168102545 /nfs/dbraw/zinc/10/25/45/168102545.db2.gz BNBWSVFHQFPDFC-HUUCEWRRSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)C[NH+](C)C ZINC000336673652 168103340 /nfs/dbraw/zinc/10/33/40/168103340.db2.gz HZMRSMZFQPYOAI-BFHYXJOUSA-N 2 2 224.392 2.519 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)C[NH+](C)C ZINC000336673653 168105016 /nfs/dbraw/zinc/10/50/16/168105016.db2.gz HZMRSMZFQPYOAI-MJBXVCDLSA-N 2 2 224.392 2.519 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000358139527 168113189 /nfs/dbraw/zinc/11/31/89/168113189.db2.gz OAEYWFRPBLBQEY-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000358139527 168113191 /nfs/dbraw/zinc/11/31/91/168113191.db2.gz OAEYWFRPBLBQEY-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[C@H]([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000283928113 168120977 /nfs/dbraw/zinc/12/09/77/168120977.db2.gz DXVRPCVWDBBBKU-AWEZNQCLSA-N 2 2 245.370 2.972 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000235148588 168129689 /nfs/dbraw/zinc/12/96/89/168129689.db2.gz FRCGHERATXGAHH-AEGPPILISA-N 2 2 247.386 2.854 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000235376360 168130748 /nfs/dbraw/zinc/13/07/48/168130748.db2.gz SMWYZZUNNDSPER-ZFWWWQNUSA-N 2 2 247.386 2.855 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000122312253 168165424 /nfs/dbraw/zinc/16/54/24/168165424.db2.gz PAYYGRQVDPHMMV-FKZOYECMSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000122312253 168165428 /nfs/dbraw/zinc/16/54/28/168165428.db2.gz PAYYGRQVDPHMMV-FKZOYECMSA-N 2 2 236.403 2.780 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000040771117 168181121 /nfs/dbraw/zinc/18/11/21/168181121.db2.gz GHFZTRFLLIWISX-GJZGRUSLSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000340277981 168183005 /nfs/dbraw/zinc/18/30/05/168183005.db2.gz KPCOWSYOCLVUFF-HNNXBMFYSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC(C)CC1 ZINC000340277981 168183008 /nfs/dbraw/zinc/18/30/08/168183008.db2.gz KPCOWSYOCLVUFF-HNNXBMFYSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCCc1c[nH+]cn1C ZINC000653554429 411420580 /nfs/dbraw/zinc/42/05/80/411420580.db2.gz CTBWPIPSKFLMOR-CHWSQXEVSA-N 2 2 235.375 2.616 20 0 BFADLP CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)C(C)C ZINC000414683139 411439338 /nfs/dbraw/zinc/43/93/38/411439338.db2.gz AQVMTMGAQYPAPZ-QWHCGFSZSA-N 2 2 214.397 2.726 20 0 BFADLP CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@@H](C)C(C)C ZINC000414683139 411439341 /nfs/dbraw/zinc/43/93/41/411439341.db2.gz AQVMTMGAQYPAPZ-QWHCGFSZSA-N 2 2 214.397 2.726 20 0 BFADLP C[C@@]1([NH2+]CC2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000406110390 411451986 /nfs/dbraw/zinc/45/19/86/411451986.db2.gz MRQKTQSKAMXBKM-MRXNPFEDSA-N 2 2 244.382 2.651 20 0 BFADLP C[C@@]1([NH2+]CC2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000406110390 411451989 /nfs/dbraw/zinc/45/19/89/411451989.db2.gz MRQKTQSKAMXBKM-MRXNPFEDSA-N 2 2 244.382 2.651 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCCCC1 ZINC000657373995 411482797 /nfs/dbraw/zinc/48/27/97/411482797.db2.gz CODXMYXVPRDNQD-GFCCVEGCSA-N 2 2 247.386 2.888 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)n1C ZINC000657379657 411487485 /nfs/dbraw/zinc/48/74/85/411487485.db2.gz CMIQMMKEUUTIMW-GJZGRUSLSA-N 2 2 247.386 2.787 20 0 BFADLP CC(C)CC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657393125 411492960 /nfs/dbraw/zinc/49/29/60/411492960.db2.gz MTQYISBYRCSRAN-UHFFFAOYSA-N 2 2 247.386 2.745 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)[nH]1 ZINC000660078417 411534371 /nfs/dbraw/zinc/53/43/71/411534371.db2.gz UVQAXQXBDLTNCD-YIYPIFLZSA-N 2 2 245.370 2.635 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)[nH]1 ZINC000660078417 411534373 /nfs/dbraw/zinc/53/43/73/411534373.db2.gz UVQAXQXBDLTNCD-YIYPIFLZSA-N 2 2 245.370 2.635 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657441733 411511561 /nfs/dbraw/zinc/51/15/61/411511561.db2.gz HAMYSMLFCCLMSP-STQMWFEESA-N 2 2 247.386 2.888 20 0 BFADLP CC1(C)CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657443019 411511646 /nfs/dbraw/zinc/51/16/46/411511646.db2.gz WHKNMQRIJKHOEV-LBPRGKRZSA-N 2 2 247.386 2.888 20 0 BFADLP CC(C)(C)C(C)(C)C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657473890 411524331 /nfs/dbraw/zinc/52/43/31/411524331.db2.gz WBNBFETXXJGAJX-UHFFFAOYSA-N 2 2 249.402 2.991 20 0 BFADLP c1cn(C2CC[NH+](CCC3CCC3)CC2)c[nH+]1 ZINC000659999119 411524943 /nfs/dbraw/zinc/52/49/43/411524943.db2.gz NUJMPSLSAGXDEP-UHFFFAOYSA-N 2 2 233.359 2.710 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657489334 411532534 /nfs/dbraw/zinc/53/25/34/411532534.db2.gz ZQPOXDIFOVZQLR-NSHDSACASA-N 2 2 235.375 2.744 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000328509392 170013743 /nfs/dbraw/zinc/01/37/43/170013743.db2.gz MXJWOUKJRSBEAC-GDBMZVCRSA-N 2 2 246.398 2.692 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000328509392 170013744 /nfs/dbraw/zinc/01/37/44/170013744.db2.gz MXJWOUKJRSBEAC-GDBMZVCRSA-N 2 2 246.398 2.692 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CCCCC2)C1 ZINC000328318236 170014743 /nfs/dbraw/zinc/01/47/43/170014743.db2.gz DBUZREAFHOBBQK-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CCCCC2)C1 ZINC000328318236 170014745 /nfs/dbraw/zinc/01/47/45/170014745.db2.gz DBUZREAFHOBBQK-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655855809 411538824 /nfs/dbraw/zinc/53/88/24/411538824.db2.gz ISQOEWUPNYSIPT-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655855809 411538826 /nfs/dbraw/zinc/53/88/26/411538826.db2.gz ISQOEWUPNYSIPT-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1cccc(C[NH2+]Cc2c[nH+]c(C)n2C)c1 ZINC000657503231 411538965 /nfs/dbraw/zinc/53/89/65/411538965.db2.gz XHBLTIDJLBIUSV-UHFFFAOYSA-N 2 2 243.354 2.581 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccsc1 ZINC000657522791 411540741 /nfs/dbraw/zinc/54/07/41/411540741.db2.gz DRXJTRAUBFISLS-LBPRGKRZSA-N 2 2 238.400 2.711 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccsc1 ZINC000657522791 411540743 /nfs/dbraw/zinc/54/07/43/411540743.db2.gz DRXJTRAUBFISLS-LBPRGKRZSA-N 2 2 238.400 2.711 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC1(C)C ZINC000657527199 411541109 /nfs/dbraw/zinc/54/11/09/411541109.db2.gz SEPBYTVODHFQHS-XQQFMLRXSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CC1(C)C ZINC000657527199 411541110 /nfs/dbraw/zinc/54/11/10/411541110.db2.gz SEPBYTVODHFQHS-XQQFMLRXSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CC1(C)C ZINC000657527197 411541662 /nfs/dbraw/zinc/54/16/62/411541662.db2.gz SEPBYTVODHFQHS-RWMBFGLXSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1CC1(C)C ZINC000657527197 411541664 /nfs/dbraw/zinc/54/16/64/411541664.db2.gz SEPBYTVODHFQHS-RWMBFGLXSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)=CCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000660130499 411542573 /nfs/dbraw/zinc/54/25/73/411542573.db2.gz XQQYUONORXOIIO-CYBMUJFWSA-N 2 2 233.359 2.566 20 0 BFADLP CC(C)=CCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000660130499 411542574 /nfs/dbraw/zinc/54/25/74/411542574.db2.gz XQQYUONORXOIIO-CYBMUJFWSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525665 411542653 /nfs/dbraw/zinc/54/26/53/411542653.db2.gz UYICNNTXFQCYHJ-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525665 411542654 /nfs/dbraw/zinc/54/26/54/411542654.db2.gz UYICNNTXFQCYHJ-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525659 411543147 /nfs/dbraw/zinc/54/31/47/411543147.db2.gz UYICNNTXFQCYHJ-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525659 411543148 /nfs/dbraw/zinc/54/31/48/411543148.db2.gz UYICNNTXFQCYHJ-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849305 411535627 /nfs/dbraw/zinc/53/56/27/411535627.db2.gz TWBGRVBVOGKUQB-CQJMVSDSSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849305 411535629 /nfs/dbraw/zinc/53/56/29/411535629.db2.gz TWBGRVBVOGKUQB-CQJMVSDSSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@H]1C ZINC000655848082 411535938 /nfs/dbraw/zinc/53/59/38/411535938.db2.gz ASHGATKPGAKZHR-SEBNEYGDSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)[C@H]1C ZINC000655848082 411535939 /nfs/dbraw/zinc/53/59/39/411535939.db2.gz ASHGATKPGAKZHR-SEBNEYGDSA-N 2 2 236.403 2.637 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1cccc2ccccc21 ZINC000228715208 170115535 /nfs/dbraw/zinc/11/55/35/170115535.db2.gz BZDJNCXJYRPGFP-UHFFFAOYSA-N 2 2 228.339 2.539 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657562708 411552131 /nfs/dbraw/zinc/55/21/31/411552131.db2.gz OCNGSCUCPAXOEN-QWHCGFSZSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657562708 411552132 /nfs/dbraw/zinc/55/21/32/411552132.db2.gz OCNGSCUCPAXOEN-QWHCGFSZSA-N 2 2 226.408 2.883 20 0 BFADLP CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020084628 170159541 /nfs/dbraw/zinc/15/95/41/170159541.db2.gz IAYASZNJSGWBKI-LLVKDONJSA-N 2 2 215.300 2.543 20 0 BFADLP C[N@H+](CCCC1CCC1)CCCn1cc[nH+]c1 ZINC000660147947 411546138 /nfs/dbraw/zinc/54/61/38/411546138.db2.gz GPHRKZRWIUXYML-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP C[N@@H+](CCCC1CCC1)CCCn1cc[nH+]c1 ZINC000660147947 411546139 /nfs/dbraw/zinc/54/61/39/411546139.db2.gz GPHRKZRWIUXYML-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CC(C)[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000657757558 411590286 /nfs/dbraw/zinc/59/02/86/411590286.db2.gz UNDOOQPYGVBIMI-HNNXBMFYSA-N 2 2 243.354 2.859 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CCC1 ZINC000660549262 411599216 /nfs/dbraw/zinc/59/92/16/411599216.db2.gz KTQSPBMPELBYSI-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCC1CCC1 ZINC000660549262 411599218 /nfs/dbraw/zinc/59/92/18/411599218.db2.gz KTQSPBMPELBYSI-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CC1CC=CC1 ZINC000660549114 411599333 /nfs/dbraw/zinc/59/93/33/411599333.db2.gz IKHOMYZWSOGUPA-HIFRSBDPSA-N 2 2 234.387 2.511 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CC1CC=CC1 ZINC000660549114 411599334 /nfs/dbraw/zinc/59/93/34/411599334.db2.gz IKHOMYZWSOGUPA-HIFRSBDPSA-N 2 2 234.387 2.511 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657820571 411606951 /nfs/dbraw/zinc/60/69/51/411606951.db2.gz MITAGCLPNVRVSC-MNOVXSKESA-N 2 2 248.361 2.740 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657820571 411606952 /nfs/dbraw/zinc/60/69/52/411606952.db2.gz MITAGCLPNVRVSC-MNOVXSKESA-N 2 2 248.361 2.740 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCCC12CC2 ZINC000657826989 411608349 /nfs/dbraw/zinc/60/83/49/411608349.db2.gz KEJDJPYRSNZCRF-CQSZACIVSA-N 2 2 236.403 2.785 20 0 BFADLP CC[C@H](C[NH2+]C(C)(C)C[NH+](C)C)CC(F)F ZINC000660762582 411618673 /nfs/dbraw/zinc/61/86/73/411618673.db2.gz BKZWIJBGEMLDSR-JTQLQIEISA-N 2 2 236.350 2.598 20 0 BFADLP Cc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000663502915 411685333 /nfs/dbraw/zinc/68/53/33/411685333.db2.gz IXGVEVDOUZBSFF-BBRMVZONSA-N 2 2 244.382 2.714 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCC(F)CC1 ZINC000661998650 411937777 /nfs/dbraw/zinc/93/77/77/411937777.db2.gz LPBJBPVWNCVENQ-GFJIZPEISA-N 2 2 242.382 2.587 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCC(F)CC1 ZINC000661998650 411937779 /nfs/dbraw/zinc/93/77/79/411937779.db2.gz LPBJBPVWNCVENQ-GFJIZPEISA-N 2 2 242.382 2.587 20 0 BFADLP CC[C@@H]1CCC[C@H](C)[N@@H+]1CCn1cc[nH+]c1C ZINC000662161451 412013344 /nfs/dbraw/zinc/01/33/44/412013344.db2.gz SJFXSLJXZHGZQH-GXTWGEPZSA-N 2 2 235.375 2.845 20 0 BFADLP CC[C@@H]1CCC[C@H](C)[N@H+]1CCn1cc[nH+]c1C ZINC000662161451 412013349 /nfs/dbraw/zinc/01/33/49/412013349.db2.gz SJFXSLJXZHGZQH-GXTWGEPZSA-N 2 2 235.375 2.845 20 0 BFADLP CC(C)c1cccc(C[N@H+](C)[C@H](C)C[NH3+])c1 ZINC000662246362 412043650 /nfs/dbraw/zinc/04/36/50/412043650.db2.gz WHMWCCMYXLONEA-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1cccc(C[N@@H+](C)[C@H](C)C[NH3+])c1 ZINC000662246362 412043654 /nfs/dbraw/zinc/04/36/54/412043654.db2.gz WHMWCCMYXLONEA-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP CC[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180708465 171011219 /nfs/dbraw/zinc/01/12/19/171011219.db2.gz MFAMCEHURDCIRP-GFCCVEGCSA-N 2 2 229.327 2.566 20 0 BFADLP CC[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180708465 171011221 /nfs/dbraw/zinc/01/12/21/171011221.db2.gz MFAMCEHURDCIRP-GFCCVEGCSA-N 2 2 229.327 2.566 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000310001807 171042086 /nfs/dbraw/zinc/04/20/86/171042086.db2.gz FECWVBKCWRCJFL-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000310001807 171042087 /nfs/dbraw/zinc/04/20/87/171042087.db2.gz FECWVBKCWRCJFL-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000336738046 171043297 /nfs/dbraw/zinc/04/32/97/171043297.db2.gz NZCZMSVJUWTIIX-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000309453789 171043905 /nfs/dbraw/zinc/04/39/05/171043905.db2.gz LVKUUFCWUAPVPX-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000310015744 171044127 /nfs/dbraw/zinc/04/41/27/171044127.db2.gz KVNVGDMCSLIVKE-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000310015744 171044129 /nfs/dbraw/zinc/04/41/29/171044129.db2.gz KVNVGDMCSLIVKE-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000187577555 171161144 /nfs/dbraw/zinc/16/11/44/171161144.db2.gz NPRMLVBMSCIOIA-TZMCWYRMSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000187577555 171161145 /nfs/dbraw/zinc/16/11/45/171161145.db2.gz NPRMLVBMSCIOIA-TZMCWYRMSA-N 2 2 243.354 2.955 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662283261 412075988 /nfs/dbraw/zinc/07/59/88/412075988.db2.gz GKKUIZXFXNVYQC-PQARUHEFSA-N 2 2 248.414 2.626 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000662283261 412075990 /nfs/dbraw/zinc/07/59/90/412075990.db2.gz GKKUIZXFXNVYQC-PQARUHEFSA-N 2 2 248.414 2.626 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336681623 171280821 /nfs/dbraw/zinc/28/08/21/171280821.db2.gz RBWJWWMNCABCTK-RYUDHWBXSA-N 2 2 221.348 2.635 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336681623 171280823 /nfs/dbraw/zinc/28/08/23/171280823.db2.gz RBWJWWMNCABCTK-RYUDHWBXSA-N 2 2 221.348 2.635 20 0 BFADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662292756 412082835 /nfs/dbraw/zinc/08/28/35/412082835.db2.gz LBCWYSKVAOBLEE-JTQLQIEISA-N 2 2 224.323 2.556 20 0 BFADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662292756 412082837 /nfs/dbraw/zinc/08/28/37/412082837.db2.gz LBCWYSKVAOBLEE-JTQLQIEISA-N 2 2 224.323 2.556 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]CC[N@H+](C)CC ZINC000054109736 171295889 /nfs/dbraw/zinc/29/58/89/171295889.db2.gz ZTTOWXYUFOACNG-QWHCGFSZSA-N 2 2 214.397 2.743 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]CC[N@@H+](C)CC ZINC000054109736 171295890 /nfs/dbraw/zinc/29/58/90/171295890.db2.gz ZTTOWXYUFOACNG-QWHCGFSZSA-N 2 2 214.397 2.743 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000358194219 171298679 /nfs/dbraw/zinc/29/86/79/171298679.db2.gz SBUHIFKGTUUAHH-ABHRYQDASA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000358194219 171298681 /nfs/dbraw/zinc/29/86/81/171298681.db2.gz SBUHIFKGTUUAHH-ABHRYQDASA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285476427 171305157 /nfs/dbraw/zinc/30/51/57/171305157.db2.gz BENFSOCYPNHBMF-ZDUSSCGKSA-N 2 2 238.375 2.832 20 0 BFADLP CC[C@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285476427 171305160 /nfs/dbraw/zinc/30/51/60/171305160.db2.gz BENFSOCYPNHBMF-ZDUSSCGKSA-N 2 2 238.375 2.832 20 0 BFADLP CC[C@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285476427 171305161 /nfs/dbraw/zinc/30/51/61/171305161.db2.gz BENFSOCYPNHBMF-ZDUSSCGKSA-N 2 2 238.375 2.832 20 0 BFADLP CC[C@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285476427 171305163 /nfs/dbraw/zinc/30/51/63/171305163.db2.gz BENFSOCYPNHBMF-ZDUSSCGKSA-N 2 2 238.375 2.832 20 0 BFADLP CC[C@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156202883 171340239 /nfs/dbraw/zinc/34/02/39/171340239.db2.gz NDWUAWADXOSCED-NSHDSACASA-N 2 2 231.343 2.884 20 0 BFADLP CCCCC[C@H]1CCCC[N@@H+]1C[C@H](C)[NH3+] ZINC000662318613 412097369 /nfs/dbraw/zinc/09/73/69/412097369.db2.gz CLFIYHFFBINSDG-STQMWFEESA-N 2 2 212.381 2.768 20 0 BFADLP CCCCC[C@H]1CCCC[N@H+]1C[C@H](C)[NH3+] ZINC000662318613 412097372 /nfs/dbraw/zinc/09/73/72/412097372.db2.gz CLFIYHFFBINSDG-STQMWFEESA-N 2 2 212.381 2.768 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000665245208 412188380 /nfs/dbraw/zinc/18/83/80/412188380.db2.gz BUOQALLDCLODTQ-GDBMZVCRSA-N 2 2 246.398 2.924 20 0 BFADLP CCc1cccnc1[C@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665247499 412193001 /nfs/dbraw/zinc/19/30/01/412193001.db2.gz DCKZOFIFCXMLLV-LBPRGKRZSA-N 2 2 247.386 2.566 20 0 BFADLP Cc1ccc2oc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2c1 ZINC000665261443 412203562 /nfs/dbraw/zinc/20/35/62/412203562.db2.gz CPEBRZVFCNVGLG-KGLIPLIRSA-N 2 2 244.338 2.711 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000665277254 412220763 /nfs/dbraw/zinc/22/07/63/412220763.db2.gz XRISYYHOOUUVNT-HLIUYOAVSA-N 2 2 244.382 2.706 20 0 BFADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1F ZINC000665278478 412221450 /nfs/dbraw/zinc/22/14/50/412221450.db2.gz GGXFRFQJCWXTLA-XGTXGMFGSA-N 2 2 248.345 2.618 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000665294059 412238841 /nfs/dbraw/zinc/23/88/41/412238841.db2.gz HIVWIAPNPRHECL-TVQRCGJNSA-N 2 2 238.762 2.525 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000665294456 412239078 /nfs/dbraw/zinc/23/90/78/412239078.db2.gz PDJODZRUXUZQSV-ZJUUUORDSA-N 2 2 226.751 2.599 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(C)cc1 ZINC000665293963 412239158 /nfs/dbraw/zinc/23/91/58/412239158.db2.gz GEAFWMOORDBHDG-TZMCWYRMSA-N 2 2 220.360 2.644 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000665294270 412239808 /nfs/dbraw/zinc/23/98/08/412239808.db2.gz LHVFZPRMQAPERP-ZIAGYGMSSA-N 2 2 234.387 2.870 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000665295009 412240368 /nfs/dbraw/zinc/24/03/68/412240368.db2.gz ZNMALDRNIVPJQA-STQMWFEESA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000665295029 412240382 /nfs/dbraw/zinc/24/03/82/412240382.db2.gz ZSZSMVWBJLHAQM-YUMQZZPRSA-N 2 2 232.780 2.660 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000665294924 412240464 /nfs/dbraw/zinc/24/04/64/412240464.db2.gz YRXXLZMWYSYUEW-ZJUUUORDSA-N 2 2 226.751 2.599 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000665295663 412241097 /nfs/dbraw/zinc/24/10/97/412241097.db2.gz HLGYQYZFBYOVID-HIFRSBDPSA-N 2 2 234.387 2.971 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000665296361 412242638 /nfs/dbraw/zinc/24/26/38/412242638.db2.gz RRGLNUKVGOQEDW-JSGCOSHPSA-N 2 2 220.360 2.581 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000665297913 412244372 /nfs/dbraw/zinc/24/43/72/412244372.db2.gz OBVXGGIXZGLUSC-UKRRQHHQSA-N 2 2 246.398 2.878 20 0 BFADLP CCC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccsc1 ZINC000665297574 412244534 /nfs/dbraw/zinc/24/45/34/412244534.db2.gz IKIWYTWAGQLZKW-CMPLNLGQSA-N 2 2 226.389 2.787 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000665296763 412245145 /nfs/dbraw/zinc/24/51/45/412245145.db2.gz XNIVKEDENSHBJQ-IUODEOHRSA-N 2 2 232.371 2.644 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000665298434 412246215 /nfs/dbraw/zinc/24/62/15/412246215.db2.gz VZDFXIWAOOHCAU-HZMBPMFUSA-N 2 2 236.359 2.627 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000665298075 412246733 /nfs/dbraw/zinc/24/67/33/412246733.db2.gz RHZDHCQUMUFTST-GXTWGEPZSA-N 2 2 238.375 2.954 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000336782266 172398085 /nfs/dbraw/zinc/39/80/85/172398085.db2.gz XCRTULFRHNRFAE-NWDGAFQWSA-N 2 2 226.408 2.741 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337988369 172398374 /nfs/dbraw/zinc/39/83/74/172398374.db2.gz WOMFMKVMXDQGGM-OLZOCXBDSA-N 2 2 244.398 2.835 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000338003693 173032832 /nfs/dbraw/zinc/03/28/32/173032832.db2.gz TUGQYBDJESRPFA-MGPQQGTHSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000338003693 173032835 /nfs/dbraw/zinc/03/28/35/173032835.db2.gz TUGQYBDJESRPFA-MGPQQGTHSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000107787164 173055829 /nfs/dbraw/zinc/05/58/29/173055829.db2.gz KNFUIUNVQGAVJJ-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000107787164 173055832 /nfs/dbraw/zinc/05/58/32/173055832.db2.gz KNFUIUNVQGAVJJ-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC000049530887 173324253 /nfs/dbraw/zinc/32/42/53/173324253.db2.gz IOUGXQISJWRTOT-NSHDSACASA-N 2 2 236.334 2.571 20 0 BFADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C ZINC000042407823 173367102 /nfs/dbraw/zinc/36/71/02/173367102.db2.gz QTPISWAWBKRPGY-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1C ZINC000042407823 173367103 /nfs/dbraw/zinc/36/71/03/173367103.db2.gz QTPISWAWBKRPGY-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000133030146 173379795 /nfs/dbraw/zinc/37/97/95/173379795.db2.gz ZMIAIYGTKILGJC-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000133030146 173379797 /nfs/dbraw/zinc/37/97/97/173379797.db2.gz ZMIAIYGTKILGJC-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000179312632 176015484 /nfs/dbraw/zinc/01/54/84/176015484.db2.gz VXJKQKGVZAKRNS-LBPRGKRZSA-N 2 2 247.317 2.715 20 0 BFADLP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000179312632 176015485 /nfs/dbraw/zinc/01/54/85/176015485.db2.gz VXJKQKGVZAKRNS-LBPRGKRZSA-N 2 2 247.317 2.715 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000290109307 176019999 /nfs/dbraw/zinc/01/99/99/176019999.db2.gz SQWMYMLSXAHPAO-ZDUSSCGKSA-N 2 2 243.354 2.656 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000290109307 176020001 /nfs/dbraw/zinc/02/00/01/176020001.db2.gz SQWMYMLSXAHPAO-ZDUSSCGKSA-N 2 2 243.354 2.656 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCC2)C1 ZINC000341421574 176021685 /nfs/dbraw/zinc/02/16/85/176021685.db2.gz IMOWQTSOZWVRCV-BBRMVZONSA-N 2 2 244.382 2.964 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCC2)C1 ZINC000341421574 176021686 /nfs/dbraw/zinc/02/16/86/176021686.db2.gz IMOWQTSOZWVRCV-BBRMVZONSA-N 2 2 244.382 2.964 20 0 BFADLP C[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438791 176088742 /nfs/dbraw/zinc/08/87/42/176088742.db2.gz PGBZYRRMBKPBFQ-TZMCWYRMSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337409846 176097945 /nfs/dbraw/zinc/09/79/45/176097945.db2.gz VKCAJCFUZHFVSF-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337409846 176097947 /nfs/dbraw/zinc/09/79/47/176097947.db2.gz VKCAJCFUZHFVSF-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+]CC2CCCCC2)C1 ZINC000053343754 176098830 /nfs/dbraw/zinc/09/88/30/176098830.db2.gz WTKORAQTKJEQPB-CQSZACIVSA-N 2 2 238.419 2.888 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CC2CCCCC2)C1 ZINC000053343754 176098832 /nfs/dbraw/zinc/09/88/32/176098832.db2.gz WTKORAQTKJEQPB-CQSZACIVSA-N 2 2 238.419 2.888 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC[NH+]1CCCCC1 ZINC000049574456 176113348 /nfs/dbraw/zinc/11/33/48/176113348.db2.gz LUIYECNSSUXVOK-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000376768676 176124092 /nfs/dbraw/zinc/12/40/92/176124092.db2.gz OITJKXCLOBLIJX-CHWSQXEVSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1C ZINC000049327827 176143644 /nfs/dbraw/zinc/14/36/44/176143644.db2.gz FAJAIYBFXFUFGT-MCIONIFRSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000341289484 176272671 /nfs/dbraw/zinc/27/26/71/176272671.db2.gz HADODELAFQJEDX-HIFRSBDPSA-N 2 2 246.398 2.504 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000341289484 176272672 /nfs/dbraw/zinc/27/26/72/176272672.db2.gz HADODELAFQJEDX-HIFRSBDPSA-N 2 2 246.398 2.504 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337984091 176282460 /nfs/dbraw/zinc/28/24/60/176282460.db2.gz ALWXXCWLAAZGEU-FWYOQMDTSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337984091 176282463 /nfs/dbraw/zinc/28/24/63/176282463.db2.gz ALWXXCWLAAZGEU-FWYOQMDTSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]([NH2+]CC1CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000185683562 176837911 /nfs/dbraw/zinc/83/79/11/176837911.db2.gz UPMJLNJJFUJYRK-SWLSCSKDSA-N 2 2 232.371 2.677 20 0 BFADLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000050227667 177035682 /nfs/dbraw/zinc/03/56/82/177035682.db2.gz IBVMLHLPBBAQLT-WBMJQRKESA-N 2 2 240.350 2.934 20 0 BFADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000050227667 177035684 /nfs/dbraw/zinc/03/56/84/177035684.db2.gz IBVMLHLPBBAQLT-WBMJQRKESA-N 2 2 240.350 2.934 20 0 BFADLP C[C@H](c1ccco1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000183168497 177047045 /nfs/dbraw/zinc/04/70/45/177047045.db2.gz KOKZUQPBCPCCEP-GFCCVEGCSA-N 2 2 233.315 2.559 20 0 BFADLP C[C@H](c1ccco1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183168497 177047047 /nfs/dbraw/zinc/04/70/47/177047047.db2.gz KOKZUQPBCPCCEP-GFCCVEGCSA-N 2 2 233.315 2.559 20 0 BFADLP C[C@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000127360847 177065197 /nfs/dbraw/zinc/06/51/97/177065197.db2.gz YURCXDIRLKORHC-MGPQQGTHSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000119055096 177075243 /nfs/dbraw/zinc/07/52/43/177075243.db2.gz QVEVNDDCSWUANO-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C[C@H]1CC=CCC1 ZINC000119055096 177075244 /nfs/dbraw/zinc/07/52/44/177075244.db2.gz QVEVNDDCSWUANO-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337409845 177098383 /nfs/dbraw/zinc/09/83/83/177098383.db2.gz VKCAJCFUZHFVSF-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000337409845 177098385 /nfs/dbraw/zinc/09/83/85/177098385.db2.gz VKCAJCFUZHFVSF-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000341455563 177124329 /nfs/dbraw/zinc/12/43/29/177124329.db2.gz CCEYZTQGGDYGAS-QWHCGFSZSA-N 2 2 243.354 2.860 20 0 BFADLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CCCC1 ZINC000037482408 177130979 /nfs/dbraw/zinc/13/09/79/177130979.db2.gz NXNPRJZHVNRBRY-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000042254553 177137024 /nfs/dbraw/zinc/13/70/24/177137024.db2.gz OPKIORMBEHQLPA-KBPBESRZSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)[N@H+](C)C1CC1 ZINC000300669506 177184150 /nfs/dbraw/zinc/18/41/50/177184150.db2.gz PNIPZFMNIBYSCE-QVHKTLOISA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000300669506 177184151 /nfs/dbraw/zinc/18/41/51/177184151.db2.gz PNIPZFMNIBYSCE-QVHKTLOISA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000358361216 177241009 /nfs/dbraw/zinc/24/10/09/177241009.db2.gz AVIFFHKZDSRCHM-JMVNKWJPSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000358361216 177241011 /nfs/dbraw/zinc/24/10/11/177241011.db2.gz AVIFFHKZDSRCHM-JMVNKWJPSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362922878 177241570 /nfs/dbraw/zinc/24/15/70/177241570.db2.gz OXOSWUNKMIUOSN-SWLSCSKDSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362922878 177241572 /nfs/dbraw/zinc/24/15/72/177241572.db2.gz OXOSWUNKMIUOSN-SWLSCSKDSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)CC(C)(C)C1 ZINC000021061647 177332472 /nfs/dbraw/zinc/33/24/72/177332472.db2.gz HPHFMNDXSALXTJ-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)c2ccccc21 ZINC000336792673 177332632 /nfs/dbraw/zinc/33/26/32/177332632.db2.gz SYRZPGJQXCFZHX-XJKSGUPXSA-N 2 2 244.382 2.920 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C[N@@H+]1C1CC1 ZINC000122317227 177332656 /nfs/dbraw/zinc/33/26/56/177332656.db2.gz QHMSEPSBERRLDB-SMDDNHRTSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)C[N@H+]1C1CC1 ZINC000122317227 177332658 /nfs/dbraw/zinc/33/26/58/177332658.db2.gz QHMSEPSBERRLDB-SMDDNHRTSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000289288745 177332830 /nfs/dbraw/zinc/33/28/30/177332830.db2.gz QYLJWRYLDDHLHK-SWLSCSKDSA-N 2 2 241.338 2.721 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)C[N@@H+]1C1CC1 ZINC000128150901 177369505 /nfs/dbraw/zinc/36/95/05/177369505.db2.gz IYMOATCHIFSJTK-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)C[N@H+]1C1CC1 ZINC000128150901 177369507 /nfs/dbraw/zinc/36/95/07/177369507.db2.gz IYMOATCHIFSJTK-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000486970737 225278097 /nfs/dbraw/zinc/27/80/97/225278097.db2.gz NUXQYHRKPRSPAN-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000486970737 225278100 /nfs/dbraw/zinc/27/81/00/225278100.db2.gz NUXQYHRKPRSPAN-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[C@H]1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000488419745 225393767 /nfs/dbraw/zinc/39/37/67/225393767.db2.gz PJNXWIAWDIGLIL-RYUDHWBXSA-N 2 2 243.354 2.741 20 0 BFADLP Cc1ccc([C@H](C[NH2+]C[C@@H]2C[C@@H]2C)[NH+](C)C)cc1 ZINC000488429069 225396269 /nfs/dbraw/zinc/39/62/69/225396269.db2.gz WXJPCYMGRJGEDO-BPUTZDHNSA-N 2 2 246.398 2.843 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)[NH+]1CCC(C)CC1 ZINC000494879912 226270815 /nfs/dbraw/zinc/27/08/15/226270815.db2.gz RBGBZDWKLRGIGE-GBJTYRQASA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[NH2+][C@@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000678924111 487683048 /nfs/dbraw/zinc/68/30/48/487683048.db2.gz BCUOFHAPVDEGNR-AWEZNQCLSA-N 2 2 243.354 2.702 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000674878248 487687059 /nfs/dbraw/zinc/68/70/59/487687059.db2.gz FFJVIIADPHHHIC-HOCLYGCPSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000674878248 487687070 /nfs/dbraw/zinc/68/70/70/487687070.db2.gz FFJVIIADPHHHIC-HOCLYGCPSA-N 2 2 246.398 2.549 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000671707516 487700900 /nfs/dbraw/zinc/70/09/00/487700900.db2.gz FFYROCFVZUEJGG-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000671707516 487700904 /nfs/dbraw/zinc/70/09/04/487700904.db2.gz FFYROCFVZUEJGG-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000328525718 487703868 /nfs/dbraw/zinc/70/38/68/487703868.db2.gz UCGOQXLANISZCB-HIFRSBDPSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000328525718 487703871 /nfs/dbraw/zinc/70/38/71/487703871.db2.gz UCGOQXLANISZCB-HIFRSBDPSA-N 2 2 232.371 2.822 20 0 BFADLP CC(C)CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250545537 487734459 /nfs/dbraw/zinc/73/44/59/487734459.db2.gz DUOFJIJOMSGLSA-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250545537 487734461 /nfs/dbraw/zinc/73/44/61/487734461.db2.gz DUOFJIJOMSGLSA-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667864542 487749836 /nfs/dbraw/zinc/74/98/36/487749836.db2.gz BTNZGZQVVZPQKX-KBXIAJHMSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667864542 487749841 /nfs/dbraw/zinc/74/98/41/487749841.db2.gz BTNZGZQVVZPQKX-KBXIAJHMSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000675801489 487780495 /nfs/dbraw/zinc/78/04/95/487780495.db2.gz JMVLKCSOABKKEJ-QEJZJMRPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000675801489 487780502 /nfs/dbraw/zinc/78/05/02/487780502.db2.gz JMVLKCSOABKKEJ-QEJZJMRPSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=CC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668458623 487782656 /nfs/dbraw/zinc/78/26/56/487782656.db2.gz GVYNBWWUONSFAQ-KGLIPLIRSA-N 2 2 236.403 2.948 20 0 BFADLP CC1=CC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668458623 487782659 /nfs/dbraw/zinc/78/26/59/487782659.db2.gz GVYNBWWUONSFAQ-KGLIPLIRSA-N 2 2 236.403 2.948 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668460207 487784368 /nfs/dbraw/zinc/78/43/68/487784368.db2.gz NIYBJRKNWGSTKO-ZOBORPQBSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668460207 487784373 /nfs/dbraw/zinc/78/43/73/487784373.db2.gz NIYBJRKNWGSTKO-ZOBORPQBSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000651814355 487834190 /nfs/dbraw/zinc/83/41/90/487834190.db2.gz QZWZAXNESHRPKD-TUKIKUTGSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000651814355 487834192 /nfs/dbraw/zinc/83/41/92/487834192.db2.gz QZWZAXNESHRPKD-TUKIKUTGSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000651814549 487834252 /nfs/dbraw/zinc/83/42/52/487834252.db2.gz YQPBHCHLLUKNEG-AGIUHOORSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000651814549 487834254 /nfs/dbraw/zinc/83/42/54/487834254.db2.gz YQPBHCHLLUKNEG-AGIUHOORSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000651814354 487834286 /nfs/dbraw/zinc/83/42/86/487834286.db2.gz QZWZAXNESHRPKD-NILFDRSVSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000651814354 487834288 /nfs/dbraw/zinc/83/42/88/487834288.db2.gz QZWZAXNESHRPKD-NILFDRSVSA-N 2 2 247.386 2.825 20 0 BFADLP CC[N@H+](CCC(F)(F)F)C[C@H]([NH3+])CC(C)C ZINC000666635613 487848495 /nfs/dbraw/zinc/84/84/95/487848495.db2.gz IAABWWIGEHOAER-SNVBAGLBSA-N 2 2 240.313 2.634 20 0 BFADLP CC[N@@H+](CCC(F)(F)F)C[C@H]([NH3+])CC(C)C ZINC000666635613 487848501 /nfs/dbraw/zinc/84/85/01/487848501.db2.gz IAABWWIGEHOAER-SNVBAGLBSA-N 2 2 240.313 2.634 20 0 BFADLP Cc1[nH+]cc(C[NH+]2CCC(C3CCC3)CC2)n1C ZINC000668492830 487848925 /nfs/dbraw/zinc/84/89/25/487848925.db2.gz CJCBVABLHSUAKI-UHFFFAOYSA-N 2 2 247.386 2.741 20 0 BFADLP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666769321 487854228 /nfs/dbraw/zinc/85/42/28/487854228.db2.gz YQRWHMOSDIGPJO-BWPKMQGJSA-N 2 2 248.345 2.571 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000566090804 322956714 /nfs/dbraw/zinc/95/67/14/322956714.db2.gz CHKRWJOLQFHPMN-KCXAZCMYSA-N 2 2 244.382 2.712 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313249441 487862356 /nfs/dbraw/zinc/86/23/56/487862356.db2.gz AODLUGCQAVSUMU-UONOGXRCSA-N 2 2 249.402 2.911 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1C(C)(C)C1(C)C ZINC000676560185 487873222 /nfs/dbraw/zinc/87/32/22/487873222.db2.gz JDTNEWJKRAWPJF-NWDGAFQWSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1C(C)(C)C1(C)C ZINC000676560185 487873225 /nfs/dbraw/zinc/87/32/25/487873225.db2.gz JDTNEWJKRAWPJF-NWDGAFQWSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000086887473 487881282 /nfs/dbraw/zinc/88/12/82/487881282.db2.gz UWKGYSLHQMHVEL-RDBSUJKOSA-N 2 2 235.375 2.830 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072312 487894862 /nfs/dbraw/zinc/89/48/62/487894862.db2.gz IIKDAJGVBDJSBX-ZIAGYGMSSA-N 2 2 235.375 2.955 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072312 487894866 /nfs/dbraw/zinc/89/48/66/487894866.db2.gz IIKDAJGVBDJSBX-ZIAGYGMSSA-N 2 2 235.375 2.955 20 0 BFADLP CCC[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072822 487894903 /nfs/dbraw/zinc/89/49/03/487894903.db2.gz KRURPAMPPBXFRS-QWHCGFSZSA-N 2 2 221.348 2.709 20 0 BFADLP CCC[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072822 487894906 /nfs/dbraw/zinc/89/49/06/487894906.db2.gz KRURPAMPPBXFRS-QWHCGFSZSA-N 2 2 221.348 2.709 20 0 BFADLP CC(C)c1cccc(C[N@H+](C)CC2C[NH+](C)C2)c1 ZINC000668539245 487904157 /nfs/dbraw/zinc/90/41/57/487904157.db2.gz QFDIJQDPXULLSK-UHFFFAOYSA-N 2 2 246.398 2.803 20 0 BFADLP CC(C)c1cccc(C[N@@H+](C)CC2C[NH+](C)C2)c1 ZINC000668539245 487904161 /nfs/dbraw/zinc/90/41/61/487904161.db2.gz QFDIJQDPXULLSK-UHFFFAOYSA-N 2 2 246.398 2.803 20 0 BFADLP CC[C@H]1CCC[C@@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539962 487904546 /nfs/dbraw/zinc/90/45/46/487904546.db2.gz RRPHHFXYWKDPAB-UONOGXRCSA-N 2 2 238.419 2.696 20 0 BFADLP CC[C@H]1CCC[C@@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539962 487904550 /nfs/dbraw/zinc/90/45/50/487904550.db2.gz RRPHHFXYWKDPAB-UONOGXRCSA-N 2 2 238.419 2.696 20 0 BFADLP CC(C)CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682154180 487916148 /nfs/dbraw/zinc/91/61/48/487916148.db2.gz YNYMCDNKBDMPNL-AWEZNQCLSA-N 2 2 235.375 2.956 20 0 BFADLP CC(C)CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682154180 487916151 /nfs/dbraw/zinc/91/61/51/487916151.db2.gz YNYMCDNKBDMPNL-AWEZNQCLSA-N 2 2 235.375 2.956 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000676872078 487938218 /nfs/dbraw/zinc/93/82/18/487938218.db2.gz KCEIVHWEIPZIOC-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000676872078 487938226 /nfs/dbraw/zinc/93/82/26/487938226.db2.gz KCEIVHWEIPZIOC-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cc[nH+]c(NCc2c[nH+]c3n2CCCC3)c1 ZINC000561351724 323000136 /nfs/dbraw/zinc/00/01/36/323000136.db2.gz NPQVZASHGKECPD-UHFFFAOYSA-N 2 2 242.326 2.535 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCCCCC1 ZINC000561542793 323003796 /nfs/dbraw/zinc/00/37/96/323003796.db2.gz MNDSGLVZRCRECP-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCCCCC1 ZINC000561542793 323003797 /nfs/dbraw/zinc/00/37/97/323003797.db2.gz MNDSGLVZRCRECP-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000132009892 323013831 /nfs/dbraw/zinc/01/38/31/323013831.db2.gz XAJXSYIDKRJTJT-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000132009892 323013832 /nfs/dbraw/zinc/01/38/32/323013832.db2.gz XAJXSYIDKRJTJT-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP C1CC12CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000570107505 323050244 /nfs/dbraw/zinc/05/02/44/323050244.db2.gz MMSZMQNVNPQSHT-UKRRQHHQSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC12CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000570107505 323050245 /nfs/dbraw/zinc/05/02/45/323050245.db2.gz MMSZMQNVNPQSHT-UKRRQHHQSA-N 2 2 248.414 2.926 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CC3CCC2CC3)n1C ZINC000570584047 323063627 /nfs/dbraw/zinc/06/36/27/323063627.db2.gz RIGKYLDKEBYXAG-RUXDESIVSA-N 2 2 247.386 2.644 20 0 BFADLP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])[C@H]2CCCC[C@@H]12 ZINC000563137727 323094824 /nfs/dbraw/zinc/09/48/24/323094824.db2.gz MAOWWJLEXYEMAA-AGIUHOORSA-N 2 2 224.392 2.624 20 0 BFADLP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@H]2CCCC[C@@H]12 ZINC000563137727 323094825 /nfs/dbraw/zinc/09/48/25/323094825.db2.gz MAOWWJLEXYEMAA-AGIUHOORSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000216338692 323101027 /nfs/dbraw/zinc/10/10/27/323101027.db2.gz JNAIYRGLTBUCJM-KFWWJZLASA-N 2 2 249.402 2.934 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC12CCC2 ZINC000394774694 323108620 /nfs/dbraw/zinc/10/86/20/323108620.db2.gz NSXVZBWUEYATJX-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000531700375 323111816 /nfs/dbraw/zinc/11/18/16/323111816.db2.gz DMSMXAHTDDRRDG-AWEZNQCLSA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)=CC[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000534126007 323113524 /nfs/dbraw/zinc/11/35/24/323113524.db2.gz OSZIXRZRWFFKMC-UHFFFAOYSA-N 2 2 245.370 2.924 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)n1C ZINC000563440983 323125968 /nfs/dbraw/zinc/12/59/68/323125968.db2.gz UPQIUQMVZVECJL-GMXVVIOVSA-N 2 2 235.375 2.643 20 0 BFADLP CCC1CC([NH2+][C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000563444548 323126978 /nfs/dbraw/zinc/12/69/78/323126978.db2.gz OLLONDSUYAHYFA-WLYUNCDWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[NH2+]CC1([NH+](C)C)CCC1 ZINC000394843422 323143782 /nfs/dbraw/zinc/14/37/82/323143782.db2.gz WQLBHZBHEHVTAM-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1([NH+](C)C)CCC1 ZINC000394843425 323143898 /nfs/dbraw/zinc/14/38/98/323143898.db2.gz WQLBHZBHEHVTAM-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C(C)(C)C[NH+](C)C ZINC000453600089 323154647 /nfs/dbraw/zinc/15/46/47/323154647.db2.gz CCTVHPGSXQGBBC-KGLIPLIRSA-N 2 2 238.419 2.909 20 0 BFADLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)s1 ZINC000049686619 323163860 /nfs/dbraw/zinc/16/38/60/323163860.db2.gz KJAJRJLZFPBUEG-JTQLQIEISA-N 2 2 249.383 2.740 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C(\C)Cl)C[C@@H]1C ZINC000528391589 323196741 /nfs/dbraw/zinc/19/67/41/323196741.db2.gz AANFZIHJWZNZCZ-NHFJXKHHSA-N 2 2 244.810 2.934 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C(\C)Cl)C[C@@H]1C ZINC000528391589 323196742 /nfs/dbraw/zinc/19/67/42/323196742.db2.gz AANFZIHJWZNZCZ-NHFJXKHHSA-N 2 2 244.810 2.934 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C(\C)Cl)C[C@@H]1C ZINC000528391589 323196743 /nfs/dbraw/zinc/19/67/43/323196743.db2.gz AANFZIHJWZNZCZ-NHFJXKHHSA-N 2 2 244.810 2.934 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C(\C)Cl)C[C@@H]1C ZINC000528391589 323196744 /nfs/dbraw/zinc/19/67/44/323196744.db2.gz AANFZIHJWZNZCZ-NHFJXKHHSA-N 2 2 244.810 2.934 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)s1 ZINC000395224440 323222006 /nfs/dbraw/zinc/22/20/06/323222006.db2.gz UAEXKPBEUCZTHA-YPMHNXCESA-N 2 2 238.400 2.677 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000532502853 323271834 /nfs/dbraw/zinc/27/18/34/323271834.db2.gz JSJVYBKWUSZUOR-IIAWOOMASA-N 2 2 246.398 2.638 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000532502853 323271836 /nfs/dbraw/zinc/27/18/36/323271836.db2.gz JSJVYBKWUSZUOR-IIAWOOMASA-N 2 2 246.398 2.638 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000532531063 323274324 /nfs/dbraw/zinc/27/43/24/323274324.db2.gz GXDULRVMXGIVKK-HUUCEWRRSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1 ZINC000532531063 323274327 /nfs/dbraw/zinc/27/43/27/323274327.db2.gz GXDULRVMXGIVKK-HUUCEWRRSA-N 2 2 246.398 2.987 20 0 BFADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000396601586 323311304 /nfs/dbraw/zinc/31/13/04/323311304.db2.gz HFMZGQFUVMTLLQ-MFKMUULPSA-N 2 2 238.762 2.570 20 0 BFADLP Cc1ccc(CCC[NH2+]CCc2ccoc2)c[nH+]1 ZINC000668579973 487961360 /nfs/dbraw/zinc/96/13/60/487961360.db2.gz FOXLOGKFGJREJT-UHFFFAOYSA-N 2 2 244.338 2.748 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000123015223 324076476 /nfs/dbraw/zinc/07/64/76/324076476.db2.gz RYTQRLGJRBZZLM-OUCADQQQSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000123015223 324076480 /nfs/dbraw/zinc/07/64/80/324076480.db2.gz RYTQRLGJRBZZLM-OUCADQQQSA-N 2 2 236.403 2.780 20 0 BFADLP Cc1[nH+]cn(Cc2cn3cccc(C)c3[nH+]2)c1C ZINC000537848218 324107183 /nfs/dbraw/zinc/10/71/83/324107183.db2.gz XTHULQNWZFSRQD-UHFFFAOYSA-N 2 2 240.310 2.504 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1C ZINC000530178853 324510498 /nfs/dbraw/zinc/51/04/98/324510498.db2.gz RRYYUHTVKASWQX-HNNXBMFYSA-N 2 2 244.382 2.678 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccccc1 ZINC000066189403 324740248 /nfs/dbraw/zinc/74/02/48/324740248.db2.gz ZLYZWFANLZPACA-CQSZACIVSA-N 2 2 220.360 2.727 20 0 BFADLP Cn1c[nH+]cc1CCC[NH+]1C2CCCC1CCC2 ZINC000653559462 487966044 /nfs/dbraw/zinc/96/60/44/487966044.db2.gz AYZBWMRDFOCYKG-UHFFFAOYSA-N 2 2 247.386 2.760 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000129264707 324933039 /nfs/dbraw/zinc/93/30/39/324933039.db2.gz YGVVQAFQLQAIKL-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000130387512 325047105 /nfs/dbraw/zinc/04/71/05/325047105.db2.gz UTYKQRHYASFWHA-RWMBFGLXSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000131031322 325109905 /nfs/dbraw/zinc/10/99/05/325109905.db2.gz LCCJDVWIHBBHJI-CHWSQXEVSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000131031322 325109907 /nfs/dbraw/zinc/10/99/07/325109907.db2.gz LCCJDVWIHBBHJI-CHWSQXEVSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CCCC1)[N@H+](C)C1CC1 ZINC000131118503 325118486 /nfs/dbraw/zinc/11/84/86/325118486.db2.gz AXIMKVRHNPZEBE-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CCCC1)[N@@H+](C)C1CC1 ZINC000131118503 325118488 /nfs/dbraw/zinc/11/84/88/325118488.db2.gz AXIMKVRHNPZEBE-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131759630 325182226 /nfs/dbraw/zinc/18/22/26/325182226.db2.gz FYAXBTLQWQEPLV-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[C@H](C)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131759630 325182227 /nfs/dbraw/zinc/18/22/27/325182227.db2.gz FYAXBTLQWQEPLV-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H](CC[NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000545272375 325204098 /nfs/dbraw/zinc/20/40/98/325204098.db2.gz ZCQRCDKGZWOXGG-FMKPAKJESA-N 2 2 246.398 2.720 20 0 BFADLP C[C@H](CC[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000545272375 325204099 /nfs/dbraw/zinc/20/40/99/325204099.db2.gz ZCQRCDKGZWOXGG-FMKPAKJESA-N 2 2 246.398 2.720 20 0 BFADLP CC[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000132328186 325211287 /nfs/dbraw/zinc/21/12/87/325211287.db2.gz JVBTUZCDDWRBGZ-KBPBESRZSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000134645547 325369782 /nfs/dbraw/zinc/36/97/82/325369782.db2.gz MSQULFSZUMJIAX-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000134645547 325369785 /nfs/dbraw/zinc/36/97/85/325369785.db2.gz MSQULFSZUMJIAX-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](C)[NH+](C)C ZINC000252714667 325692142 /nfs/dbraw/zinc/69/21/42/325692142.db2.gz SNXQOWNGGXZWJN-RWMBFGLXSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC[C@H]2C)n1C ZINC000565371922 325903006 /nfs/dbraw/zinc/90/30/06/325903006.db2.gz LNFUQIHMIJFPHJ-DGCLKSJQSA-N 2 2 235.375 2.644 20 0 BFADLP C[N@H+](CC[NH2+]C1(C2CC2)CC1)Cc1ccccc1 ZINC000567572047 326219936 /nfs/dbraw/zinc/21/99/36/326219936.db2.gz MLQUBOVNPNFQPL-UHFFFAOYSA-N 2 2 244.382 2.651 20 0 BFADLP C[N@@H+](CC[NH2+]C1(C2CC2)CC1)Cc1ccccc1 ZINC000567572047 326219939 /nfs/dbraw/zinc/21/99/39/326219939.db2.gz MLQUBOVNPNFQPL-UHFFFAOYSA-N 2 2 244.382 2.651 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000569309668 326399508 /nfs/dbraw/zinc/39/95/08/326399508.db2.gz QKJDGAHMZGGYIS-DYEKYZERSA-N 2 2 238.419 2.883 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000569309668 326399509 /nfs/dbraw/zinc/39/95/09/326399509.db2.gz QKJDGAHMZGGYIS-DYEKYZERSA-N 2 2 238.419 2.883 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522071 487989254 /nfs/dbraw/zinc/98/92/54/487989254.db2.gz MFFYIECZMCQTFW-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522071 487989260 /nfs/dbraw/zinc/98/92/60/487989260.db2.gz MFFYIECZMCQTFW-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522060 487989778 /nfs/dbraw/zinc/98/97/78/487989778.db2.gz KIQYSXGGMMXLDQ-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522060 487989782 /nfs/dbraw/zinc/98/97/82/487989782.db2.gz KIQYSXGGMMXLDQ-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CCC1 ZINC000668616777 488010187 /nfs/dbraw/zinc/01/01/87/488010187.db2.gz QSEQJLYAXAYJOU-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)C2CCCCCC2)n1C ZINC000667491770 488025373 /nfs/dbraw/zinc/02/53/73/488025373.db2.gz GTEAPAPOTJMPJY-UHFFFAOYSA-N 2 2 235.375 2.883 20 0 BFADLP CC[N@H+](CCC(F)(F)F)Cc1c[nH+]c(C)n1C ZINC000667567913 488048833 /nfs/dbraw/zinc/04/88/33/488048833.db2.gz LWJDRLDBRDNMST-UHFFFAOYSA-N 2 2 249.280 2.503 20 0 BFADLP CC[N@@H+](CCC(F)(F)F)Cc1c[nH+]c(C)n1C ZINC000667567913 488048835 /nfs/dbraw/zinc/04/88/35/488048835.db2.gz LWJDRLDBRDNMST-UHFFFAOYSA-N 2 2 249.280 2.503 20 0 BFADLP CC(C)(C)[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667590429 488053790 /nfs/dbraw/zinc/05/37/90/488053790.db2.gz VRDHNFFPRHZCDX-CYBMUJFWSA-N 2 2 247.386 2.840 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C(C)C)CC2)n1C ZINC000667641899 488066431 /nfs/dbraw/zinc/06/64/31/488066431.db2.gz HLWWIVUOAGHCPU-CQSZACIVSA-N 2 2 249.402 2.987 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(C)C)CC2)n1C ZINC000667641899 488066434 /nfs/dbraw/zinc/06/64/34/488066434.db2.gz HLWWIVUOAGHCPU-CQSZACIVSA-N 2 2 249.402 2.987 20 0 BFADLP C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667651688 488074071 /nfs/dbraw/zinc/07/40/71/488074071.db2.gz DURSKPXDDAYMHB-QWHCGFSZSA-N 2 2 247.386 2.840 20 0 BFADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667651688 488074077 /nfs/dbraw/zinc/07/40/77/488074077.db2.gz DURSKPXDDAYMHB-QWHCGFSZSA-N 2 2 247.386 2.840 20 0 BFADLP CC[C@@H]1CCCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667653756 488075806 /nfs/dbraw/zinc/07/58/06/488075806.db2.gz KTKIENLLXKNOKE-CYBMUJFWSA-N 2 2 247.386 2.984 20 0 BFADLP CC[C@@H]1CCCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667653756 488075812 /nfs/dbraw/zinc/07/58/12/488075812.db2.gz KTKIENLLXKNOKE-CYBMUJFWSA-N 2 2 247.386 2.984 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC3(C2)CCCCC3)n1C ZINC000667670570 488081867 /nfs/dbraw/zinc/08/18/67/488081867.db2.gz TXGTWDFPCZIMPF-UHFFFAOYSA-N 2 2 247.386 2.885 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC3(C2)CCCCC3)n1C ZINC000667670570 488081873 /nfs/dbraw/zinc/08/18/73/488081873.db2.gz TXGTWDFPCZIMPF-UHFFFAOYSA-N 2 2 247.386 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000389251241 488085180 /nfs/dbraw/zinc/08/51/80/488085180.db2.gz MTGJHTHNKFHACQ-HWYHOQROSA-N 2 2 244.382 2.774 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000389251241 488085187 /nfs/dbraw/zinc/08/51/87/488085187.db2.gz MTGJHTHNKFHACQ-HWYHOQROSA-N 2 2 244.382 2.774 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000389251239 488085248 /nfs/dbraw/zinc/08/52/48/488085248.db2.gz MTGJHTHNKFHACQ-CXOKCQFOSA-N 2 2 244.382 2.774 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC000389251239 488085255 /nfs/dbraw/zinc/08/52/55/488085255.db2.gz MTGJHTHNKFHACQ-CXOKCQFOSA-N 2 2 244.382 2.774 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[NH+](C)C ZINC000393966079 488087703 /nfs/dbraw/zinc/08/77/03/488087703.db2.gz ZHXHHVRMPBTUSS-CBBWQLFWSA-N 2 2 238.419 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000389336486 488089907 /nfs/dbraw/zinc/08/99/07/488089907.db2.gz IKZPMAOMSJBZBA-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000389336486 488089912 /nfs/dbraw/zinc/08/99/12/488089912.db2.gz IKZPMAOMSJBZBA-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC=C(C(C)(C)C)CC2)n1C ZINC000667711868 488097885 /nfs/dbraw/zinc/09/78/85/488097885.db2.gz RCTHXQPWKAPING-UHFFFAOYSA-N 2 2 247.386 2.907 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC=C(C(C)(C)C)CC2)n1C ZINC000667711868 488097891 /nfs/dbraw/zinc/09/78/91/488097891.db2.gz RCTHXQPWKAPING-UHFFFAOYSA-N 2 2 247.386 2.907 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000668683556 488113382 /nfs/dbraw/zinc/11/33/82/488113382.db2.gz YCEIVMBKWPBXOC-KBPBESRZSA-N 2 2 222.376 2.559 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000668683556 488113387 /nfs/dbraw/zinc/11/33/87/488113387.db2.gz YCEIVMBKWPBXOC-KBPBESRZSA-N 2 2 222.376 2.559 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000162137580 487539497 /nfs/dbraw/zinc/53/94/97/487539497.db2.gz CEOWHILWHUMXLE-QMMMGPOBSA-N 2 2 247.169 2.691 20 0 BFADLP CC(C)(C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336697701 487555477 /nfs/dbraw/zinc/55/54/77/487555477.db2.gz ZHAZYWKZOMIBSL-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336697701 487555486 /nfs/dbraw/zinc/55/54/86/487555486.db2.gz ZHAZYWKZOMIBSL-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561610 488135292 /nfs/dbraw/zinc/13/52/92/488135292.db2.gz BVPYFRIGNFUWHK-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561610 488135296 /nfs/dbraw/zinc/13/52/96/488135296.db2.gz BVPYFRIGNFUWHK-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP c1cn([C@H]2CCC[N@@H+](CCC3CCC3)C2)c[nH+]1 ZINC000659882739 487497190 /nfs/dbraw/zinc/49/71/90/487497190.db2.gz MVFSNDNUQGYFPY-AWEZNQCLSA-N 2 2 233.359 2.710 20 0 BFADLP c1cn([C@H]2CCC[N@H+](CCC3CCC3)C2)c[nH+]1 ZINC000659882739 487497195 /nfs/dbraw/zinc/49/71/95/487497195.db2.gz MVFSNDNUQGYFPY-AWEZNQCLSA-N 2 2 233.359 2.710 20 0 BFADLP CCC[N@H+](CCC(C)(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000406021455 487497370 /nfs/dbraw/zinc/49/73/70/487497370.db2.gz DUOPSIIILSLAAP-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[N@@H+](CCC(C)(C)C1CC1)[C@@H]1CC[NH2+]C1 ZINC000406021455 487497373 /nfs/dbraw/zinc/49/73/73/487497373.db2.gz DUOPSIIILSLAAP-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000662273875 490044781 /nfs/dbraw/zinc/04/47/81/490044781.db2.gz AWFYIOKSVZDPGM-QRJUGERDSA-N 2 2 248.414 2.639 20 0 BFADLP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000662273875 490044786 /nfs/dbraw/zinc/04/47/86/490044786.db2.gz AWFYIOKSVZDPGM-QRJUGERDSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCCC12CC2 ZINC000667779062 488118975 /nfs/dbraw/zinc/11/89/75/488118975.db2.gz WWYJIYOIJDPQFA-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000657561295 488136575 /nfs/dbraw/zinc/13/65/75/488136575.db2.gz FQCBAVJYOGRXJI-UONOGXRCSA-N 2 2 236.403 2.805 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000657561295 488136584 /nfs/dbraw/zinc/13/65/84/488136584.db2.gz FQCBAVJYOGRXJI-UONOGXRCSA-N 2 2 236.403 2.805 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)n1C ZINC000667964704 488169636 /nfs/dbraw/zinc/16/96/36/488169636.db2.gz ODTVWIPHVXFEHA-WFASDCNBSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@]3(CC[C@H](C)C3)C2)n1C ZINC000667964704 488169642 /nfs/dbraw/zinc/16/96/42/488169642.db2.gz ODTVWIPHVXFEHA-WFASDCNBSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)n1C ZINC000667964701 488170093 /nfs/dbraw/zinc/17/00/93/488170093.db2.gz ODTVWIPHVXFEHA-DOMZBBRYSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@]3(CC[C@@H](C)C3)C2)n1C ZINC000667964701 488170097 /nfs/dbraw/zinc/17/00/97/488170097.db2.gz ODTVWIPHVXFEHA-DOMZBBRYSA-N 2 2 247.386 2.741 20 0 BFADLP C[C@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CC(C)(C)C1 ZINC000667969097 488171279 /nfs/dbraw/zinc/17/12/79/488171279.db2.gz DBDDSKSGFCUGKZ-GFCCVEGCSA-N 2 2 247.386 2.697 20 0 BFADLP C[C@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CC(C)(C)C1 ZINC000667969097 488171284 /nfs/dbraw/zinc/17/12/84/488171284.db2.gz DBDDSKSGFCUGKZ-GFCCVEGCSA-N 2 2 247.386 2.697 20 0 BFADLP CCC[C@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667984565 488176119 /nfs/dbraw/zinc/17/61/19/488176119.db2.gz WYPNFGDCGLGMTP-ZDUSSCGKSA-N 2 2 247.386 2.984 20 0 BFADLP CCC[C@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667984565 488176123 /nfs/dbraw/zinc/17/61/23/488176123.db2.gz WYPNFGDCGLGMTP-ZDUSSCGKSA-N 2 2 247.386 2.984 20 0 BFADLP CC(C)(C)[NH2+]CC[NH2+][C@@H]1CCc2ccccc21 ZINC000230969373 488176510 /nfs/dbraw/zinc/17/65/10/488176510.db2.gz LPWJAIKOYPLFLP-CQSZACIVSA-N 2 2 232.371 2.652 20 0 BFADLP CC[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000678072605 488190861 /nfs/dbraw/zinc/19/08/61/488190861.db2.gz ACBNFSWWDAKROX-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000678072605 488190866 /nfs/dbraw/zinc/19/08/66/488190866.db2.gz ACBNFSWWDAKROX-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCC1 ZINC000322740149 488195783 /nfs/dbraw/zinc/19/57/83/488195783.db2.gz YARHAQWCHSJXRK-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000322740149 488195784 /nfs/dbraw/zinc/19/57/84/488195784.db2.gz YARHAQWCHSJXRK-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](CC2CCC2)C(C)C)n1C ZINC000668069087 488198247 /nfs/dbraw/zinc/19/82/47/488198247.db2.gz FMMHWGWGICEFLQ-UHFFFAOYSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](CC2CCC2)C(C)C)n1C ZINC000668069087 488198250 /nfs/dbraw/zinc/19/82/50/488198250.db2.gz FMMHWGWGICEFLQ-UHFFFAOYSA-N 2 2 235.375 2.739 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000398242577 488216165 /nfs/dbraw/zinc/21/61/65/488216165.db2.gz ZZJOMVRJSWVPQK-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000398242577 488216170 /nfs/dbraw/zinc/21/61/70/488216170.db2.gz ZZJOMVRJSWVPQK-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCC1CCC1 ZINC000398715477 488222422 /nfs/dbraw/zinc/22/24/22/488222422.db2.gz YTDJUEUUDIBFMX-INIZCTEOSA-N 2 2 244.382 2.735 20 0 BFADLP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCC1CCC1 ZINC000398715477 488222424 /nfs/dbraw/zinc/22/24/24/488222424.db2.gz YTDJUEUUDIBFMX-INIZCTEOSA-N 2 2 244.382 2.735 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC000678583860 488268578 /nfs/dbraw/zinc/26/85/78/488268578.db2.gz BEHJFECMADZWQB-MAZHCROVSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC000678583860 488268580 /nfs/dbraw/zinc/26/85/80/488268580.db2.gz BEHJFECMADZWQB-MAZHCROVSA-N 2 2 244.382 2.522 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678823981 488288000 /nfs/dbraw/zinc/28/80/00/488288000.db2.gz STYZAAWZCUOGPB-KGLIPLIRSA-N 2 2 235.375 2.956 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678823981 488288002 /nfs/dbraw/zinc/28/80/02/488288002.db2.gz STYZAAWZCUOGPB-KGLIPLIRSA-N 2 2 235.375 2.956 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000673627420 488298099 /nfs/dbraw/zinc/29/80/99/488298099.db2.gz MHIIDIOBXVCDFB-XJKSGUPXSA-N 2 2 244.382 2.822 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000673627420 488298102 /nfs/dbraw/zinc/29/81/02/488298102.db2.gz MHIIDIOBXVCDFB-XJKSGUPXSA-N 2 2 244.382 2.822 20 0 BFADLP C[C@@H](Cc1cccs1)[NH2+]CCCn1cc[nH+]c1 ZINC000071269747 490260414 /nfs/dbraw/zinc/26/04/14/490260414.db2.gz YAMYUEVSMXXUQF-LBPRGKRZSA-N 2 2 249.383 2.556 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000328510256 490297888 /nfs/dbraw/zinc/29/78/88/490297888.db2.gz NHHZBXWEBQVNPB-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000328510256 490297893 /nfs/dbraw/zinc/29/78/93/490297893.db2.gz NHHZBXWEBQVNPB-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226901228 491052654 /nfs/dbraw/zinc/05/26/54/491052654.db2.gz LQTCKDUPKSBFCB-JKSUJKDBSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226901228 491052655 /nfs/dbraw/zinc/05/26/55/491052655.db2.gz LQTCKDUPKSBFCB-JKSUJKDBSA-N 2 2 244.382 2.822 20 0 BFADLP Cn1c[nH+]cc1CNc1ccc(C2CCC2)c[nH+]1 ZINC000293194472 491114098 /nfs/dbraw/zinc/11/40/98/491114098.db2.gz XJGSHZUPQCGFOR-UHFFFAOYSA-N 2 2 242.326 2.695 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000230992985 491131154 /nfs/dbraw/zinc/13/11/54/491131154.db2.gz LIGMMSGMCJSNOJ-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000230992985 491131155 /nfs/dbraw/zinc/13/11/55/491131155.db2.gz LIGMMSGMCJSNOJ-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000230992990 491131184 /nfs/dbraw/zinc/13/11/84/491131184.db2.gz LIGMMSGMCJSNOJ-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000230992990 491131185 /nfs/dbraw/zinc/13/11/85/491131185.db2.gz LIGMMSGMCJSNOJ-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C3CCC3)C2)n1C ZINC000668719602 491132398 /nfs/dbraw/zinc/13/23/98/491132398.db2.gz ZXJBMVKTJKBCQZ-AWEZNQCLSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C3CCC3)C2)n1C ZINC000668719602 491132399 /nfs/dbraw/zinc/13/23/99/491132399.db2.gz ZXJBMVKTJKBCQZ-AWEZNQCLSA-N 2 2 247.386 2.741 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000309727312 491155173 /nfs/dbraw/zinc/15/51/73/491155173.db2.gz DLHGJUVQTJDEMA-KBPBESRZSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000309727312 491155174 /nfs/dbraw/zinc/15/51/74/491155174.db2.gz DLHGJUVQTJDEMA-KBPBESRZSA-N 2 2 224.392 2.805 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000488419747 533726693 /nfs/dbraw/zinc/72/66/93/533726693.db2.gz PJNXWIAWDIGLIL-VXGBXAGGSA-N 2 2 243.354 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000494910323 533942984 /nfs/dbraw/zinc/94/29/84/533942984.db2.gz NWWABMCQHHWGRJ-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000494414484 534257801 /nfs/dbraw/zinc/25/78/01/534257801.db2.gz PDWFBHQJHPITJZ-MQYQWHSLSA-N 2 2 247.386 2.612 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000469980638 527239129 /nfs/dbraw/zinc/23/91/29/527239129.db2.gz DUDKXQVDTVFZFA-AWEZNQCLSA-N 2 2 246.398 2.849 20 0 BFADLP CC(C)([NH3+])C[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000469980638 527239144 /nfs/dbraw/zinc/23/91/44/527239144.db2.gz DUDKXQVDTVFZFA-AWEZNQCLSA-N 2 2 246.398 2.849 20 0 BFADLP CC(C)C(C[NH2+]CC[N@H+](C)C(C)C)C(C)C ZINC000304454327 527586153 /nfs/dbraw/zinc/58/61/53/527586153.db2.gz YKNHOIGQSRTAQC-UHFFFAOYSA-N 2 2 228.424 2.844 20 0 BFADLP CC(C)C(C[NH2+]CC[N@@H+](C)C(C)C)C(C)C ZINC000304454327 527586156 /nfs/dbraw/zinc/58/61/56/527586156.db2.gz YKNHOIGQSRTAQC-UHFFFAOYSA-N 2 2 228.424 2.844 20 0 BFADLP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459368831 527877804 /nfs/dbraw/zinc/87/78/04/527877804.db2.gz DHHWBUQXQWMTSK-UKRRQHHQSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459368831 527877811 /nfs/dbraw/zinc/87/78/11/527877811.db2.gz DHHWBUQXQWMTSK-UKRRQHHQSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459368832 528443723 /nfs/dbraw/zinc/44/37/23/528443723.db2.gz DHHWBUQXQWMTSK-ZFWWWQNUSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459368832 528443731 /nfs/dbraw/zinc/44/37/31/528443731.db2.gz DHHWBUQXQWMTSK-ZFWWWQNUSA-N 2 2 249.402 2.863 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000487275547 529005148 /nfs/dbraw/zinc/00/51/48/529005148.db2.gz KQDSGUQWQDFSPQ-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000487275547 529005152 /nfs/dbraw/zinc/00/51/52/529005152.db2.gz KQDSGUQWQDFSPQ-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000495079690 529274205 /nfs/dbraw/zinc/27/42/05/529274205.db2.gz OXEBXPQHQPRWAX-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000495079690 529274206 /nfs/dbraw/zinc/27/42/06/529274206.db2.gz OXEBXPQHQPRWAX-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000258235158 535180000 /nfs/dbraw/zinc/18/00/00/535180000.db2.gz LPJDFOFNXWKNEB-ZDUSSCGKSA-N 2 2 247.386 2.807 20 0 BFADLP CC(C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000258235158 535180002 /nfs/dbraw/zinc/18/00/02/535180002.db2.gz LPJDFOFNXWKNEB-ZDUSSCGKSA-N 2 2 247.386 2.807 20 0 BFADLP CC1([NH2+]Cc2cccc3[nH+]ccn32)CCCC1 ZINC000335666453 535187909 /nfs/dbraw/zinc/18/79/09/535187909.db2.gz VEWDNLICPNAFMJ-UHFFFAOYSA-N 2 2 229.327 2.757 20 0 BFADLP CC(C)CC[N@H+](C[C@H](C)[NH3+])C1CCCC1 ZINC000087286672 535385075 /nfs/dbraw/zinc/38/50/75/535385075.db2.gz PTGCJSSLXPMUOA-LBPRGKRZSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CC[N@@H+](C[C@H](C)[NH3+])C1CCCC1 ZINC000087286672 535385076 /nfs/dbraw/zinc/38/50/76/535385076.db2.gz PTGCJSSLXPMUOA-LBPRGKRZSA-N 2 2 212.381 2.624 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000219860005 536362287 /nfs/dbraw/zinc/36/22/87/536362287.db2.gz XRIWMMGYFIVEQD-MRXNPFEDSA-N 2 2 246.398 2.796 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000219860005 536362292 /nfs/dbraw/zinc/36/22/92/536362292.db2.gz XRIWMMGYFIVEQD-MRXNPFEDSA-N 2 2 246.398 2.796 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850493470 582921569 /nfs/dbraw/zinc/92/15/69/582921569.db2.gz IZNNXSNXHSESSN-RDBSUJKOSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000850493470 582921572 /nfs/dbraw/zinc/92/15/72/582921572.db2.gz IZNNXSNXHSESSN-RDBSUJKOSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1ccc[nH+]c1NCc1[nH+]ccn1C1CC1 ZINC000892612652 582929239 /nfs/dbraw/zinc/92/92/39/582929239.db2.gz KSFCXEGVVIIBLQ-UHFFFAOYSA-N 2 2 228.299 2.534 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000783231693 582950990 /nfs/dbraw/zinc/95/09/90/582950990.db2.gz BAKDUFQKSBEOII-CHWSQXEVSA-N 2 2 233.359 2.662 20 0 BFADLP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000776173793 583112282 /nfs/dbraw/zinc/11/22/82/583112282.db2.gz MNKOGCILBKYBHE-ZBFHGGJFSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000776173793 583112283 /nfs/dbraw/zinc/11/22/83/583112283.db2.gz MNKOGCILBKYBHE-ZBFHGGJFSA-N 2 2 246.398 2.549 20 0 BFADLP CCCSC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000893355581 583120712 /nfs/dbraw/zinc/12/07/12/583120712.db2.gz GDKOCGWKZYGPOQ-QWHCGFSZSA-N 2 2 244.448 2.592 20 0 BFADLP CCCSC[C@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000893355581 583120714 /nfs/dbraw/zinc/12/07/14/583120714.db2.gz GDKOCGWKZYGPOQ-QWHCGFSZSA-N 2 2 244.448 2.592 20 0 BFADLP Cc1coc(C[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000893988235 583270384 /nfs/dbraw/zinc/27/03/84/583270384.db2.gz UBHSKKASEAIRLV-UHFFFAOYSA-N 2 2 236.359 2.550 20 0 BFADLP c1[nH]c(C[NH2+]CCCSc2ccccc2)c[nH+]1 ZINC000894142156 583317073 /nfs/dbraw/zinc/31/70/73/583317073.db2.gz ZUPZYVSENLQBDZ-UHFFFAOYSA-N 2 2 247.367 2.682 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000894285494 583410692 /nfs/dbraw/zinc/41/06/92/583410692.db2.gz XFBUOVQROXUIAW-GFCCVEGCSA-N 2 2 229.327 2.611 20 0 BFADLP Cc1cc(C)cc(C[C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894303585 583416149 /nfs/dbraw/zinc/41/61/49/583416149.db2.gz DBFAKZCFUOLANG-CYBMUJFWSA-N 2 2 243.354 2.747 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@@H+](CC1CCCC1)C21CCC1 ZINC000895068637 583578909 /nfs/dbraw/zinc/57/89/09/583578909.db2.gz JNAUQVDGDXCYHB-UHFFFAOYSA-N 2 2 245.370 2.837 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@H+](CC1CCCC1)C21CCC1 ZINC000895068637 583578910 /nfs/dbraw/zinc/57/89/10/583578910.db2.gz JNAUQVDGDXCYHB-UHFFFAOYSA-N 2 2 245.370 2.837 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@@H]2C=CCC2)c[nH+]1 ZINC000895527209 583684495 /nfs/dbraw/zinc/68/44/95/583684495.db2.gz JLVKTCSJNMMYOY-CQSZACIVSA-N 2 2 230.355 2.878 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1C=CCC1 ZINC000895528638 583685016 /nfs/dbraw/zinc/68/50/16/583685016.db2.gz YQPJTWJJDPOENR-CQSZACIVSA-N 2 2 230.355 2.878 20 0 BFADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000896552811 583811203 /nfs/dbraw/zinc/81/12/03/583811203.db2.gz JAUVCEHOFVMZSD-GOEBONIOSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000896552811 583811205 /nfs/dbraw/zinc/81/12/05/583811205.db2.gz JAUVCEHOFVMZSD-GOEBONIOSA-N 2 2 246.398 2.528 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC000896557430 583812515 /nfs/dbraw/zinc/81/25/15/583812515.db2.gz HSMCRFFIKXXHHZ-SQWLQELKSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC000896557430 583812516 /nfs/dbraw/zinc/81/25/16/583812516.db2.gz HSMCRFFIKXXHHZ-SQWLQELKSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]1C)Cc1ccccc1 ZINC000896557427 583812799 /nfs/dbraw/zinc/81/27/99/583812799.db2.gz HSMCRFFIKXXHHZ-OFQRWUPVSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)Cc1ccccc1 ZINC000896557427 583812800 /nfs/dbraw/zinc/81/28/00/583812800.db2.gz HSMCRFFIKXXHHZ-OFQRWUPVSA-N 2 2 246.398 2.547 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000250556160 583943691 /nfs/dbraw/zinc/94/36/91/583943691.db2.gz BDTPEQGAVKNUND-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000250556160 583943693 /nfs/dbraw/zinc/94/36/93/583943693.db2.gz BDTPEQGAVKNUND-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2CC2)C[N@@H+]1C1CC1 ZINC000897438668 583983904 /nfs/dbraw/zinc/98/39/04/583983904.db2.gz GVQXNPJEMVVBEW-AAEUAGOBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2CC2)C[N@H+]1C1CC1 ZINC000897438668 583983907 /nfs/dbraw/zinc/98/39/07/583983907.db2.gz GVQXNPJEMVVBEW-AAEUAGOBSA-N 2 2 236.403 2.637 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)[nH+]1 ZINC000897955783 584065028 /nfs/dbraw/zinc/06/50/28/584065028.db2.gz YLTBZRPARNAFNI-IACUBPJLSA-N 2 2 241.338 2.613 20 0 BFADLP CC1(C)CC[N@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000898034839 584079344 /nfs/dbraw/zinc/07/93/44/584079344.db2.gz YPYJOXIPNMYSEH-UHFFFAOYSA-N 2 2 236.403 2.641 20 0 BFADLP CC1(C)CC[N@@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000898034839 584079346 /nfs/dbraw/zinc/07/93/46/584079346.db2.gz YPYJOXIPNMYSEH-UHFFFAOYSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000898223898 584102138 /nfs/dbraw/zinc/10/21/38/584102138.db2.gz JCOWNYRVXDROTB-TZMCWYRMSA-N 2 2 241.338 2.779 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2(C3CCCCC3)CC2)n1C ZINC000898462219 584138847 /nfs/dbraw/zinc/13/88/47/584138847.db2.gz OCABFPHCOPXQTI-UHFFFAOYSA-N 2 2 247.386 2.931 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438891 584597228 /nfs/dbraw/zinc/59/72/28/584597228.db2.gz OAVWKESJVCLLMS-RAEVTNRLSA-N 2 2 244.382 2.779 20 0 BFADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccco1 ZINC000902442028 584597900 /nfs/dbraw/zinc/59/79/00/584597900.db2.gz HADFXDBGAFSRJX-WDBKCZKBSA-N 2 2 242.322 2.555 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000902442404 584597964 /nfs/dbraw/zinc/59/79/64/584597964.db2.gz BWVFAQIXXTUDRR-KGLIPLIRSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2C[NH2+]CC2(C)C)c2ccccc21 ZINC000902445016 584599000 /nfs/dbraw/zinc/59/90/00/584599000.db2.gz PEIXWZFFRCHDEL-UGFHNGPFSA-N 2 2 244.382 2.823 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902446011 584599774 /nfs/dbraw/zinc/59/97/74/584599774.db2.gz NUMSCYTXFVIENY-QWRGUYRKSA-N 2 2 238.400 2.705 20 0 BFADLP Cc1ccc([C@H]([NH2+]CC2([NH3+])CC2)C2CCCC2)o1 ZINC000902413391 584599811 /nfs/dbraw/zinc/59/98/11/584599811.db2.gz LCQIUUUTVWQSFX-CQSZACIVSA-N 2 2 248.370 2.900 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902472713 584600862 /nfs/dbraw/zinc/60/08/62/584600862.db2.gz GAWKCLIQQFAMJS-REBRKWNGSA-N 2 2 230.355 2.539 20 0 BFADLP c1cc2c(s1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472506 584600996 /nfs/dbraw/zinc/60/09/96/584600996.db2.gz BTAGLBRVFVHBPW-FOUMNBMASA-N 2 2 248.395 2.608 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1F ZINC000902479077 584603557 /nfs/dbraw/zinc/60/35/57/584603557.db2.gz ZYWWMHVBKKLGFY-QPKOPYBWSA-N 2 2 248.345 2.759 20 0 BFADLP CC1CCC([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])CC1 ZINC000902446900 584604158 /nfs/dbraw/zinc/60/41/58/584604158.db2.gz VZYAKRPURDRUQN-MOBWVJJFSA-N 2 2 244.382 2.779 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902447340 584604604 /nfs/dbraw/zinc/60/46/04/584604604.db2.gz SYHQPNKKIIJWAA-GXTWGEPZSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902449207 584605851 /nfs/dbraw/zinc/60/58/51/584605851.db2.gz MPOOGKBBINOVMC-GJZGRUSLSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902464352 584613362 /nfs/dbraw/zinc/61/33/62/584613362.db2.gz BXCODZNVKFOXSP-GRIRQICOSA-N 2 2 242.366 2.717 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000902483554 584624907 /nfs/dbraw/zinc/62/49/07/584624907.db2.gz RKVKEYBAPHJQCX-DGCLKSJQSA-N 2 2 238.400 2.931 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[N@H+](C)C1CC1 ZINC000902794518 584674107 /nfs/dbraw/zinc/67/41/07/584674107.db2.gz XCKDSGNTGMXYKM-FQUUOJAGSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[N@@H+](C)C1CC1 ZINC000902794518 584674109 /nfs/dbraw/zinc/67/41/09/584674109.db2.gz XCKDSGNTGMXYKM-FQUUOJAGSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902827182 584676931 /nfs/dbraw/zinc/67/69/31/584676931.db2.gz XOWFCAIASYJNLE-MGPQQGTHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902827182 584676932 /nfs/dbraw/zinc/67/69/32/584676932.db2.gz XOWFCAIASYJNLE-MGPQQGTHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199046 584735126 /nfs/dbraw/zinc/73/51/26/584735126.db2.gz SHBDHRSZABLMRS-GFCCVEGCSA-N 2 2 247.386 2.816 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201757 584735210 /nfs/dbraw/zinc/73/52/10/584735210.db2.gz MONQYWAVMZLODZ-DOMZBBRYSA-N 2 2 247.386 2.816 20 0 BFADLP C[C@@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C(C)(C)C ZINC000903202012 584735685 /nfs/dbraw/zinc/73/56/85/584735685.db2.gz UHJYEFXTKZRTQE-LLVKDONJSA-N 2 2 235.375 2.672 20 0 BFADLP CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201760 584735710 /nfs/dbraw/zinc/73/57/10/584735710.db2.gz MONQYWAVMZLODZ-WFASDCNBSA-N 2 2 247.386 2.816 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903300990 584744379 /nfs/dbraw/zinc/74/43/79/584744379.db2.gz MQUBWMLNPFJZCG-LZWOXQAQSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300990 584744380 /nfs/dbraw/zinc/74/43/80/584744380.db2.gz MQUBWMLNPFJZCG-LZWOXQAQSA-N 2 2 246.398 2.608 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H](C)c1ccccc1 ZINC000903301853 584744483 /nfs/dbraw/zinc/74/44/83/584744483.db2.gz WEKMVPYDSGAHMM-HLPPOEQASA-N 2 2 246.398 2.861 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H](C)c1ccccc1 ZINC000903301853 584744485 /nfs/dbraw/zinc/74/44/85/584744485.db2.gz WEKMVPYDSGAHMM-HLPPOEQASA-N 2 2 246.398 2.861 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903302457 584745472 /nfs/dbraw/zinc/74/54/72/584745472.db2.gz AMRWLSWZSPBLRG-KCXAZCMYSA-N 2 2 244.382 2.665 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903302457 584745473 /nfs/dbraw/zinc/74/54/73/584745473.db2.gz AMRWLSWZSPBLRG-KCXAZCMYSA-N 2 2 244.382 2.665 20 0 BFADLP CCSc1ccccc1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000903473919 584776195 /nfs/dbraw/zinc/77/61/95/584776195.db2.gz BWXNAHSMGFPPPK-LLVKDONJSA-N 2 2 238.400 2.578 20 0 BFADLP CCSc1ccccc1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000903473919 584776196 /nfs/dbraw/zinc/77/61/96/584776196.db2.gz BWXNAHSMGFPPPK-LLVKDONJSA-N 2 2 238.400 2.578 20 0 BFADLP CC(C)c1ccccc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000903716825 584791661 /nfs/dbraw/zinc/79/16/61/584791661.db2.gz UEOPLQOCLPFLLQ-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccccc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000903716825 584791663 /nfs/dbraw/zinc/79/16/63/584791663.db2.gz UEOPLQOCLPFLLQ-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccccc1C[N@H+](C)[C@H]1CC[NH2+]C1 ZINC000903716529 584791855 /nfs/dbraw/zinc/79/18/55/584791855.db2.gz OJLRVWXDMRMZOC-AWEZNQCLSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1ccccc1C[N@@H+](C)[C@H]1CC[NH2+]C1 ZINC000903716529 584791856 /nfs/dbraw/zinc/79/18/56/584791856.db2.gz OJLRVWXDMRMZOC-AWEZNQCLSA-N 2 2 232.371 2.604 20 0 BFADLP CC1CC(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000903751229 584795339 /nfs/dbraw/zinc/79/53/39/584795339.db2.gz GIBSUGSDZNCTSE-CVSAEHQPSA-N 2 2 236.403 2.639 20 0 BFADLP CC1CC(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000903751229 584795340 /nfs/dbraw/zinc/79/53/40/584795340.db2.gz GIBSUGSDZNCTSE-CVSAEHQPSA-N 2 2 236.403 2.639 20 0 BFADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2Cc1ccccc1F ZINC000903795075 584799044 /nfs/dbraw/zinc/79/90/44/584799044.db2.gz IGLUATUHRCRUQO-HIFRSBDPSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2Cc1ccccc1F ZINC000903795075 584799045 /nfs/dbraw/zinc/79/90/45/584799045.db2.gz IGLUATUHRCRUQO-HIFRSBDPSA-N 2 2 248.345 2.529 20 0 BFADLP CC(F)(F)CCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903806666 584802721 /nfs/dbraw/zinc/80/27/21/584802721.db2.gz ZRHSEXQGGOZKTF-AAEUAGOBSA-N 2 2 246.345 2.625 20 0 BFADLP CC(F)(F)CCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903806666 584802722 /nfs/dbraw/zinc/80/27/22/584802722.db2.gz ZRHSEXQGGOZKTF-AAEUAGOBSA-N 2 2 246.345 2.625 20 0 BFADLP CC(C)C1(C)CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903914502 584818922 /nfs/dbraw/zinc/81/89/22/584818922.db2.gz IHHMJPKPIWJHMW-LLVKDONJSA-N 2 2 248.361 2.727 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950656 584830844 /nfs/dbraw/zinc/83/08/44/584830844.db2.gz PSMXVTRDFULZEP-AAEUAGOBSA-N 2 2 235.375 2.968 20 0 BFADLP C[N@@H+](Cc1ccncc1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904332569 584866274 /nfs/dbraw/zinc/86/62/74/584866274.db2.gz RTLDYGRGINCSGM-CQSZACIVSA-N 2 2 249.402 2.667 20 0 BFADLP C[N@H+](Cc1ccncc1)C[C@H]([NH3+])CCC(C)(C)C ZINC000904332569 584866275 /nfs/dbraw/zinc/86/62/75/584866275.db2.gz RTLDYGRGINCSGM-CQSZACIVSA-N 2 2 249.402 2.667 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000766214216 584940082 /nfs/dbraw/zinc/94/00/82/584940082.db2.gz LNKKTWHHFUGLRG-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000766214216 584940083 /nfs/dbraw/zinc/94/00/83/584940083.db2.gz LNKKTWHHFUGLRG-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cccn2cc(CC[NH2+][C@@H](C)C(C)C)[nH+]c12 ZINC000156301833 585021812 /nfs/dbraw/zinc/02/18/12/585021812.db2.gz CEEAYDVDWYRFGB-ZDUSSCGKSA-N 2 2 245.370 2.819 20 0 BFADLP C[C@H](C[NH2+]C1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC000838910058 585078068 /nfs/dbraw/zinc/07/80/68/585078068.db2.gz ZKDWPXVYMAGMLQ-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1CC(C(F)F)C1 ZINC000839141272 585094483 /nfs/dbraw/zinc/09/44/83/585094483.db2.gz NUPJDUIGZOVGIH-UHFFFAOYSA-N 2 2 240.297 2.520 20 0 BFADLP CC(C)[NH+](CCC[NH2+]Cc1ccoc1)C(C)C ZINC000746052992 585162554 /nfs/dbraw/zinc/16/25/54/585162554.db2.gz HNDJBMKRJWORTC-UHFFFAOYSA-N 2 2 238.375 2.878 20 0 BFADLP Cc1ccc(NCCNc2cccc(C)[nH+]2)[nH+]c1 ZINC000750171969 585212113 /nfs/dbraw/zinc/21/21/13/585212113.db2.gz SHAAZYPGANSIBC-UHFFFAOYSA-N 2 2 242.326 2.617 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000760956576 585402457 /nfs/dbraw/zinc/40/24/57/585402457.db2.gz ZWZPWQBIXAPFRT-CQSZACIVSA-N 2 2 246.398 2.646 20 0 BFADLP CCCCC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000779064219 585744694 /nfs/dbraw/zinc/74/46/94/585744694.db2.gz HDZSBGRPHGPCCV-QWHCGFSZSA-N 2 2 235.375 2.756 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000793522295 586021686 /nfs/dbraw/zinc/02/16/86/586021686.db2.gz FKUMFCIRJFGWGU-MJBXVCDLSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000793522295 586021687 /nfs/dbraw/zinc/02/16/87/586021687.db2.gz FKUMFCIRJFGWGU-MJBXVCDLSA-N 2 2 238.419 2.743 20 0 BFADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000815123473 586668089 /nfs/dbraw/zinc/66/80/89/586668089.db2.gz IXUTZZUVNZALAN-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000815123473 586668091 /nfs/dbraw/zinc/66/80/91/586668091.db2.gz IXUTZZUVNZALAN-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP CC1=CC[C@@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000816537196 586739584 /nfs/dbraw/zinc/73/95/84/586739584.db2.gz WONPNWUQTCYCNW-HUUCEWRRSA-N 2 2 236.403 2.949 20 0 BFADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817954582 586849574 /nfs/dbraw/zinc/84/95/74/586849574.db2.gz ZGPOVUCLCRSMQP-DGCLKSJQSA-N 2 2 236.334 2.537 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000817972531 586858654 /nfs/dbraw/zinc/85/86/54/586858654.db2.gz MNRDAWZHOFZWNO-NEPJUHHUSA-N 2 2 238.350 2.783 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000817972483 586858929 /nfs/dbraw/zinc/85/89/29/586858929.db2.gz LRSPRIQEERTLIM-DOMZBBRYSA-N 2 2 232.371 2.570 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCCC1 ZINC000817976060 586860263 /nfs/dbraw/zinc/86/02/63/586860263.db2.gz FENCKIINQKBSGG-MELADBBJSA-N 2 2 242.382 2.635 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCCC1 ZINC000817976056 586860678 /nfs/dbraw/zinc/86/06/78/586860678.db2.gz FENCKIINQKBSGG-IHRRRGAJSA-N 2 2 242.382 2.635 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000823836932 587242196 /nfs/dbraw/zinc/24/21/96/587242196.db2.gz MVHAZOFHKOFFJM-GXTWGEPZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000823836932 587242197 /nfs/dbraw/zinc/24/21/97/587242197.db2.gz MVHAZOFHKOFFJM-GXTWGEPZSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]cc(C[NH+]2CCC3(CCCC3)CC2)n1C ZINC000824708343 587283846 /nfs/dbraw/zinc/28/38/46/587283846.db2.gz CKMJETRDMKTTQZ-UHFFFAOYSA-N 2 2 247.386 2.885 20 0 BFADLP c1[nH+]c2n(c1C[NH+]1CCCCCCCC1)CCC2 ZINC000826075037 587350280 /nfs/dbraw/zinc/35/02/80/587350280.db2.gz MOLZZZCXUSDDPF-UHFFFAOYSA-N 2 2 247.386 2.986 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000834607489 587760442 /nfs/dbraw/zinc/76/04/42/587760442.db2.gz XTVRSVRRMOKKOK-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000834607489 587760443 /nfs/dbraw/zinc/76/04/43/587760443.db2.gz XTVRSVRRMOKKOK-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000834607487 587760590 /nfs/dbraw/zinc/76/05/90/587760590.db2.gz XTVRSVRRMOKKOK-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000834607487 587760591 /nfs/dbraw/zinc/76/05/91/587760591.db2.gz XTVRSVRRMOKKOK-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP c1cn(-c2csc(C[NH2+][C@H]3C=CCC3)c2)c[nH+]1 ZINC000850358296 588539242 /nfs/dbraw/zinc/53/92/42/588539242.db2.gz ALNUBQXTVQTYER-NSHDSACASA-N 2 2 245.351 2.742 20 0 BFADLP CC(C)c1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863568823 589300324 /nfs/dbraw/zinc/30/03/24/589300324.db2.gz OZXJIJSFBLVBPB-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863568823 589300325 /nfs/dbraw/zinc/30/03/25/589300325.db2.gz OZXJIJSFBLVBPB-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP Cc1cc(-c2ccc3c(c2)C[NH2+]CC3)cc[nH+]1 ZINC000863693887 589311266 /nfs/dbraw/zinc/31/12/66/589311266.db2.gz QTPHYLNWPPWNPT-UHFFFAOYSA-N 2 2 224.307 2.703 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCCC1CC1 ZINC000866540551 589499762 /nfs/dbraw/zinc/49/97/62/589499762.db2.gz QLDLHPHIUSMGDY-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCCC1CC1 ZINC000866540551 589499764 /nfs/dbraw/zinc/49/97/64/589499764.db2.gz QLDLHPHIUSMGDY-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP CCc1ccccc1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866723641 589515780 /nfs/dbraw/zinc/51/57/80/589515780.db2.gz IIYXSZZUMJVBGJ-JKSUJKDBSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccccc1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866723641 589515782 /nfs/dbraw/zinc/51/57/82/589515782.db2.gz IIYXSZZUMJVBGJ-JKSUJKDBSA-N 2 2 244.382 2.575 20 0 BFADLP CCCC(N)=[NH+]OCc1c(C)cc(C)[nH+]c1C ZINC000871732166 589798838 /nfs/dbraw/zinc/79/88/38/589798838.db2.gz SUFFAOMZGSUELH-UHFFFAOYSA-N 2 2 235.331 2.805 20 0 BFADLP Cc1cc(C)c(CO[NH+]=C(N)[C@@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000871759189 589808089 /nfs/dbraw/zinc/80/80/89/589808089.db2.gz FSVNQBLEWDBZQW-JOYOIKCWSA-N 2 2 247.342 2.661 20 0 BFADLP CC[C@H](CCC(F)(F)F)[NH2+]C[C@H](C)[NH+](C)C ZINC000872034186 589858325 /nfs/dbraw/zinc/85/83/25/589858325.db2.gz MGJVHIXINYNSOJ-VHSXEESVSA-N 2 2 240.313 2.647 20 0 BFADLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c(C)c1 ZINC000873229008 590001332 /nfs/dbraw/zinc/00/13/32/590001332.db2.gz NLJHIMUPZMIFIX-HOTGVXAUSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229946 590001465 /nfs/dbraw/zinc/00/14/65/590001465.db2.gz JFYZYVLTDMNHLE-HZPDHXFCSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1F ZINC000873229559 590001935 /nfs/dbraw/zinc/00/19/35/590001935.db2.gz BXTXHBRFHBPLSL-GJZGRUSLSA-N 2 2 248.345 2.508 20 0 BFADLP Cc1cccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000873230046 590002311 /nfs/dbraw/zinc/00/23/11/590002311.db2.gz LIEDFWAVAWJANM-CVEARBPZSA-N 2 2 244.382 2.678 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1cccnc1 ZINC000873234015 590002957 /nfs/dbraw/zinc/00/29/57/590002957.db2.gz BFJIPTPCAMZEKM-TZMCWYRMSA-N 2 2 247.386 2.510 20 0 BFADLP CCC1CCC([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000020125691 590076770 /nfs/dbraw/zinc/07/67/70/590076770.db2.gz VGYUKZYZXMBAPM-UHFFFAOYSA-N 2 2 226.408 2.885 20 0 BFADLP CCC1([NH+](C)C)CC[NH+](Cc2ccoc2)CC1 ZINC000877689758 590392102 /nfs/dbraw/zinc/39/21/02/590392102.db2.gz JYQKBNHKYQTZJV-UHFFFAOYSA-N 2 2 236.359 2.586 20 0 BFADLP Cc1ccsc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000126851051 590473540 /nfs/dbraw/zinc/47/35/40/590473540.db2.gz DYYHWNQZUOXMPU-LLVKDONJSA-N 2 2 249.383 2.679 20 0 BFADLP c1cn([C@H]2CCC[N@@H+](CCCC3CC3)C2)c[nH+]1 ZINC000878059768 590484373 /nfs/dbraw/zinc/48/43/73/590484373.db2.gz XASWTISCGCOKFC-AWEZNQCLSA-N 2 2 233.359 2.710 20 0 BFADLP c1cn([C@H]2CCC[N@H+](CCCC3CC3)C2)c[nH+]1 ZINC000878059768 590484374 /nfs/dbraw/zinc/48/43/74/590484374.db2.gz XASWTISCGCOKFC-AWEZNQCLSA-N 2 2 233.359 2.710 20 0 BFADLP C=C/C=C\CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000878239269 590528806 /nfs/dbraw/zinc/52/88/06/590528806.db2.gz DIKNNPWWMPZLQT-GXMNPTEKSA-N 2 2 222.376 2.581 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000878239269 590528808 /nfs/dbraw/zinc/52/88/08/590528808.db2.gz DIKNNPWWMPZLQT-GXMNPTEKSA-N 2 2 222.376 2.581 20 0 BFADLP ClC1=CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000878791285 590623179 /nfs/dbraw/zinc/62/31/79/590623179.db2.gz KWMWGHZGMRGSBN-UHFFFAOYSA-N 2 2 242.794 2.691 20 0 BFADLP ClC1=CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000878791285 590623180 /nfs/dbraw/zinc/62/31/80/590623180.db2.gz KWMWGHZGMRGSBN-UHFFFAOYSA-N 2 2 242.794 2.691 20 0 BFADLP CCC1([NH+](C)C)CC[NH+](C/C=C/Cl)CC1 ZINC000879288100 590729336 /nfs/dbraw/zinc/72/93/36/590729336.db2.gz YQPZMJGOEADLLN-VMPITWQZSA-N 2 2 230.783 2.545 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000880130999 590932689 /nfs/dbraw/zinc/93/26/89/590932689.db2.gz JADQTCPERRGUNX-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000880130999 590932691 /nfs/dbraw/zinc/93/26/91/590932691.db2.gz JADQTCPERRGUNX-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880130999 590932693 /nfs/dbraw/zinc/93/26/93/590932693.db2.gz JADQTCPERRGUNX-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880130999 590932695 /nfs/dbraw/zinc/93/26/95/590932695.db2.gz JADQTCPERRGUNX-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136495 590937077 /nfs/dbraw/zinc/93/70/77/590937077.db2.gz MSEDNMSYIRMLIP-KOABKASLSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C/CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136495 590937080 /nfs/dbraw/zinc/93/70/80/590937080.db2.gz MSEDNMSYIRMLIP-KOABKASLSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C/CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880136495 590937083 /nfs/dbraw/zinc/93/70/83/590937083.db2.gz MSEDNMSYIRMLIP-KOABKASLSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C/CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880136495 590937085 /nfs/dbraw/zinc/93/70/85/590937085.db2.gz MSEDNMSYIRMLIP-KOABKASLSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880135823 590937420 /nfs/dbraw/zinc/93/74/20/590937420.db2.gz ATNCJARVBQANHD-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880135823 590937423 /nfs/dbraw/zinc/93/74/23/590937423.db2.gz ATNCJARVBQANHD-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880135823 590937424 /nfs/dbraw/zinc/93/74/24/590937424.db2.gz ATNCJARVBQANHD-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880135823 590937427 /nfs/dbraw/zinc/93/74/27/590937427.db2.gz ATNCJARVBQANHD-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@H](C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)C(C)(C)C ZINC000880140214 590939172 /nfs/dbraw/zinc/93/91/72/590939172.db2.gz ADIHRFXLOASOBU-HZSPNIEDSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C)C(C)(C)C ZINC000880140214 590939174 /nfs/dbraw/zinc/93/91/74/590939174.db2.gz ADIHRFXLOASOBU-HZSPNIEDSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C)C(C)(C)C ZINC000880140214 590939177 /nfs/dbraw/zinc/93/91/77/590939177.db2.gz ADIHRFXLOASOBU-HZSPNIEDSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C)C(C)(C)C ZINC000880140214 590939181 /nfs/dbraw/zinc/93/91/81/590939181.db2.gz ADIHRFXLOASOBU-HZSPNIEDSA-N 2 2 238.419 2.837 20 0 BFADLP C=C/C=C\CC[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000883259845 591597065 /nfs/dbraw/zinc/59/70/65/591597065.db2.gz ANXBHPRVTGZRGA-PLNGDYQASA-N 2 2 241.338 2.865 20 0 BFADLP C=C/C=C\CC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000883261353 591598614 /nfs/dbraw/zinc/59/86/14/591598614.db2.gz ZEYVWKLOSXAMSR-PLNGDYQASA-N 2 2 241.338 2.865 20 0 BFADLP Cc1cc(NC2CC[NH+](C(C)C)CC2)c[nH+]c1C 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2 238.350 2.803 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000257693972 634468632 /nfs/dbraw/zinc/46/86/32/634468632.db2.gz OHFYEOUECJPOQE-MRXNPFEDSA-N 2 2 244.382 2.713 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)c1 ZINC000257693972 634468637 /nfs/dbraw/zinc/46/86/37/634468637.db2.gz OHFYEOUECJPOQE-MRXNPFEDSA-N 2 2 244.382 2.713 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000257736485 634486969 /nfs/dbraw/zinc/48/69/69/634486969.db2.gz YCYAZCDWSUOXIU-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c1 ZINC000257736485 634486976 /nfs/dbraw/zinc/48/69/76/634486976.db2.gz YCYAZCDWSUOXIU-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000309663775 632628450 /nfs/dbraw/zinc/62/84/50/632628450.db2.gz GWBVQJFMMCMWBL-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000309663775 632628458 /nfs/dbraw/zinc/62/84/58/632628458.db2.gz GWBVQJFMMCMWBL-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[NH+]1CCC([N@H+](C)C/C=C/Cl)CC1 ZINC000177051710 632699483 /nfs/dbraw/zinc/69/94/83/632699483.db2.gz BDCSNOQGWKXSPM-QPJJXVBHSA-N 2 2 230.783 2.545 20 0 BFADLP CCC[NH+]1CCC([N@@H+](C)C/C=C/Cl)CC1 ZINC000177051710 632699486 /nfs/dbraw/zinc/69/94/86/632699486.db2.gz BDCSNOQGWKXSPM-QPJJXVBHSA-N 2 2 230.783 2.545 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)CC1CCC1)[N@H+](C)C1CC1 ZINC000167360533 633128417 /nfs/dbraw/zinc/12/84/17/633128417.db2.gz XMPQEQCURMZFDE-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)CC1CCC1)[N@@H+](C)C1CC1 ZINC000167360533 633128420 /nfs/dbraw/zinc/12/84/20/633128420.db2.gz XMPQEQCURMZFDE-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000168421123 633143223 /nfs/dbraw/zinc/14/32/23/633143223.db2.gz JQJJLQUVLSXVKK-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000168421123 633143228 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644835857 /nfs/dbraw/zinc/83/58/57/644835857.db2.gz KQLZNOFZBJIPDB-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC12CCC2)[NH+]1CCCCC1 ZINC000800476432 644836192 /nfs/dbraw/zinc/83/61/92/644836192.db2.gz KQLZNOFZBJIPDB-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC/C=C/C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926516848 645250655 /nfs/dbraw/zinc/25/06/55/645250655.db2.gz OZFXCNAHRFYENF-KBUVRSHFSA-N 2 2 222.376 2.559 20 0 BFADLP CC/C=C/C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926516848 645250660 /nfs/dbraw/zinc/25/06/60/645250660.db2.gz OZFXCNAHRFYENF-KBUVRSHFSA-N 2 2 222.376 2.559 20 0 BFADLP C1CC1([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCC1 ZINC000926648211 645333718 /nfs/dbraw/zinc/33/37/18/645333718.db2.gz JCGSOIWDLLHUDD-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC1([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCC1 ZINC000926648211 645333727 /nfs/dbraw/zinc/33/37/27/645333727.db2.gz JCGSOIWDLLHUDD-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP 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FDLUWFSIEJMNCA-CFVMTHIKSA-N 2 2 244.382 2.997 20 0 BFADLP F[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925691570 646416351 /nfs/dbraw/zinc/41/63/51/646416351.db2.gz OOSJXSQNRVFLOQ-JHJVBQTASA-N 2 2 240.366 2.531 20 0 BFADLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000925707455 646432510 /nfs/dbraw/zinc/43/25/10/646432510.db2.gz PVJHFMWKWARWPX-DANNLKNASA-N 2 2 244.382 2.853 20 0 BFADLP C[C@@H]([NH3+])[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000925707458 646432723 /nfs/dbraw/zinc/43/27/23/646432723.db2.gz PVJHFMWKWARWPX-MSQAHXEGSA-N 2 2 244.382 2.853 20 0 BFADLP Cc1cc(N[C@H](C)CCCC[NH3+])c[nH+]c1C ZINC000925771286 646470534 /nfs/dbraw/zinc/47/05/34/646470534.db2.gz ZJUBLOIATIHSSX-LLVKDONJSA-N 2 2 221.348 2.628 20 0 BFADLP Cc1cc(N[C@@H](C)CCCC[NH3+])c[nH+]c1C ZINC000925771287 646471136 /nfs/dbraw/zinc/47/11/36/646471136.db2.gz ZJUBLOIATIHSSX-NSHDSACASA-N 2 2 221.348 2.628 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(C)cc1 ZINC000925787477 646482676 /nfs/dbraw/zinc/48/26/76/646482676.db2.gz UCCFQPUMGRIRFG-VHDGCEQUSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000925786321 646483175 /nfs/dbraw/zinc/48/31/75/646483175.db2.gz ZJTBUAJVQCAYJS-DAXOMENPSA-N 2 2 244.382 2.644 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925787860 646483600 /nfs/dbraw/zinc/48/36/00/646483600.db2.gz VWKFEPGCKHDJHI-VNHYZAJKSA-N 2 2 232.371 2.562 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2C)C2CC2)cc1 ZINC000925786322 646483624 /nfs/dbraw/zinc/48/36/24/646483624.db2.gz ZJTBUAJVQCAYJS-WQVCFCJDSA-N 2 2 244.382 2.644 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]C2CC3(C2)CCCC3)[C@@H](C)C1 ZINC000925929415 646544517 /nfs/dbraw/zinc/54/45/17/646544517.db2.gz MXQZMWSVYATMMI-JSGCOSHPSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+]C2CC3(C2)CCCC3)[C@@H](C)C1 ZINC000925929415 646544522 /nfs/dbraw/zinc/54/45/22/646544522.db2.gz MXQZMWSVYATMMI-JSGCOSHPSA-N 2 2 236.403 2.639 20 0 BFADLP CCCCC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037156872 712549553 /nfs/dbraw/zinc/54/95/53/712549553.db2.gz DNHRUBVJJOKZMI-QWHCGFSZSA-N 2 2 223.364 2.830 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C(C)C ZINC000037167037 712549752 /nfs/dbraw/zinc/54/97/52/712549752.db2.gz HNQPXCUTEFLOTG-STQMWFEESA-N 2 2 214.397 2.597 20 0 BFADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]C1CCCC1 ZINC000037156225 712549865 /nfs/dbraw/zinc/54/98/65/712549865.db2.gz DXNQRWYTOXHHDB-ZDUSSCGKSA-N 2 2 235.375 2.830 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCCCC2CC2)C[N@@H+]1C1CC1 ZINC000716357687 712556348 /nfs/dbraw/zinc/55/63/48/712556348.db2.gz JCMZWAPIDFZLNL-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCCCC2CC2)C[N@H+]1C1CC1 ZINC000716357687 712556349 /nfs/dbraw/zinc/55/63/49/712556349.db2.gz JCMZWAPIDFZLNL-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+]C1CCCCCCC1)[NH+](C)C ZINC000038088985 712806833 /nfs/dbraw/zinc/80/68/33/712806833.db2.gz WLPFTJCZZNFGNE-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP Cc1cc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c(C)s1 ZINC000720760975 712864177 /nfs/dbraw/zinc/86/41/77/712864177.db2.gz WPHLQIRXHRHFDG-GFCCVEGCSA-N 2 2 238.400 2.534 20 0 BFADLP Cc1cc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c(C)s1 ZINC000720760975 712864179 /nfs/dbraw/zinc/86/41/79/712864179.db2.gz WPHLQIRXHRHFDG-GFCCVEGCSA-N 2 2 238.400 2.534 20 0 BFADLP C[C@H]1CC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000381514540 710650046 /nfs/dbraw/zinc/65/00/46/710650046.db2.gz RYTOGLUYDIZBQI-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384494407 710993996 /nfs/dbraw/zinc/99/39/96/710993996.db2.gz ABMYPGWFAMWIOM-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384494407 710994001 /nfs/dbraw/zinc/99/40/01/710994001.db2.gz ABMYPGWFAMWIOM-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000069725914 711518260 /nfs/dbraw/zinc/51/82/60/711518260.db2.gz VQFVXWNMLJWLJP-GWCFXTLKSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])s1 ZINC000069725914 711518262 /nfs/dbraw/zinc/51/82/62/711518262.db2.gz VQFVXWNMLJWLJP-GWCFXTLKSA-N 2 2 238.400 2.616 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CCCC2(CC2)C1)C1CC1 ZINC000723575430 711519126 /nfs/dbraw/zinc/51/91/26/711519126.db2.gz YDWAVQOLVDIDMX-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CCCC2(CC2)C1)C1CC1 ZINC000723575430 711519127 /nfs/dbraw/zinc/51/91/27/711519127.db2.gz YDWAVQOLVDIDMX-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCC2(CC2)C1)[N@H+](C)C1CC1 ZINC000723574807 711519184 /nfs/dbraw/zinc/51/91/84/711519184.db2.gz UYXGJJBPNGIHFM-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCC2(CC2)C1)[N@@H+](C)C1CC1 ZINC000723574807 711519185 /nfs/dbraw/zinc/51/91/85/711519185.db2.gz UYXGJJBPNGIHFM-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000382455482 711554503 /nfs/dbraw/zinc/55/45/03/711554503.db2.gz SXZUUPSUCZANRW-UPJWGTAASA-N 2 2 235.375 2.686 20 0 BFADLP Cc1[nH]c(C[NH+]2C3CCCC2CCC3)c(C)[nH+]1 ZINC000724775867 711612984 /nfs/dbraw/zinc/61/29/84/711612984.db2.gz LMGRWVWYFYVQOC-UHFFFAOYSA-N 2 2 233.359 2.934 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CC3CCC2CC3)CCC1 ZINC000394238724 711684536 /nfs/dbraw/zinc/68/45/36/711684536.db2.gz RBNLKZFXJWGAPI-JXQTWKCFSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000394249272 711684735 /nfs/dbraw/zinc/68/47/35/711684735.db2.gz ZEAKALWQIBTEJW-CVSAEHQPSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000394249272 711684737 /nfs/dbraw/zinc/68/47/37/711684737.db2.gz ZEAKALWQIBTEJW-CVSAEHQPSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)cc1C ZINC000257658054 711724050 /nfs/dbraw/zinc/72/40/50/711724050.db2.gz FTLPSVVWLTUCRY-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)cc1C ZINC000257658054 711724052 /nfs/dbraw/zinc/72/40/52/711724052.db2.gz FTLPSVVWLTUCRY-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1C ZINC000257661462 711724826 /nfs/dbraw/zinc/72/48/26/711724826.db2.gz GKDRSSGJRAYODN-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1C ZINC000257661462 711724828 /nfs/dbraw/zinc/72/48/28/711724828.db2.gz GKDRSSGJRAYODN-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(C)c1 ZINC000925788035 711751676 /nfs/dbraw/zinc/75/16/76/711751676.db2.gz XPJVJEXPEBNIIE-UMVBOHGHSA-N 2 2 232.371 2.562 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000925788074 711751799 /nfs/dbraw/zinc/75/17/99/711751799.db2.gz XYNIPJLFNUWPKA-UAXWRAGISA-N 2 2 244.382 2.823 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1(Cl)CC1 ZINC000702265200 712040850 /nfs/dbraw/zinc/04/08/50/712040850.db2.gz YGTYYGLHUWMYEB-RYUDHWBXSA-N 2 2 246.826 2.712 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@H]1CC=CCC1 ZINC000035258920 712172485 /nfs/dbraw/zinc/17/24/85/712172485.db2.gz LEKYEPVPUCQEEN-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP c1cn(CCC[NH2+][C@H]2CCCC3(CC3)C2)c[nH+]1 ZINC000709968207 712236211 /nfs/dbraw/zinc/23/62/11/712236211.db2.gz SAYVBXXQPXNCRD-ZDUSSCGKSA-N 2 2 233.359 2.586 20 0 BFADLP Fc1ccc(C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713171217 712453445 /nfs/dbraw/zinc/45/34/45/712453445.db2.gz YMOYUFMAAIMFOE-UHFFFAOYSA-N 2 2 248.345 2.544 20 0 BFADLP Fc1ccc(C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000713171217 712453446 /nfs/dbraw/zinc/45/34/46/712453446.db2.gz YMOYUFMAAIMFOE-UHFFFAOYSA-N 2 2 248.345 2.544 20 0 BFADLP C[NH+](C)C1(C)CCC(Nc2cccc[nH+]2)CC1 ZINC000715578473 712529376 /nfs/dbraw/zinc/52/93/76/712529376.db2.gz IUZGQYSWUYAGPN-UHFFFAOYSA-N 2 2 233.359 2.756 20 0 BFADLP CC[C@@H](C)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156096 712549666 /nfs/dbraw/zinc/54/96/66/712549666.db2.gz ZCEQYOAJNQYANJ-CHWSQXEVSA-N 2 2 237.391 2.934 20 0 BFADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CC[NH3+] ZINC000037712511 712744752 /nfs/dbraw/zinc/74/47/52/712744752.db2.gz ZVUMMEKHCCUMML-JTQLQIEISA-N 2 2 232.327 2.605 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028212 712799447 /nfs/dbraw/zinc/79/94/47/712799447.db2.gz OCAJZKMPGMUAIA-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028475 712800385 /nfs/dbraw/zinc/80/03/85/712800385.db2.gz UNSBGYJTJOEWPW-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cc(C)[nH+]c(N(C(C)C)C(C)(C)C[NH3+])c1 ZINC001163187382 965291310 /nfs/dbraw/zinc/29/13/10/965291310.db2.gz WRMIHKFMFGDFDE-UHFFFAOYSA-N 2 2 235.375 2.651 20 0 BFADLP Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)sc1C ZINC001205880923 967871161 /nfs/dbraw/zinc/87/11/61/967871161.db2.gz TXMBWMSLPWTZDV-RNCFNFMXSA-N 2 2 238.400 2.534 20 0 BFADLP Cc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)sc1C ZINC001205880923 967871163 /nfs/dbraw/zinc/87/11/63/967871163.db2.gz TXMBWMSLPWTZDV-RNCFNFMXSA-N 2 2 238.400 2.534 20 0 BFADLP C[C@@H]1C[C@H](F)C[N@@H+]1CCC[NH2+]C1CCCCC1 ZINC001205924422 967889712 /nfs/dbraw/zinc/88/97/12/967889712.db2.gz STVSNYVDVCDTHT-OLZOCXBDSA-N 2 2 242.382 2.731 20 0 BFADLP C[C@@H]1C[C@H](F)C[N@H+]1CCC[NH2+]C1CCCCC1 ZINC001205924422 967889719 /nfs/dbraw/zinc/88/97/19/967889719.db2.gz STVSNYVDVCDTHT-OLZOCXBDSA-N 2 2 242.382 2.731 20 0 BFADLP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[NH2+]C[C@@H](C)C2)CC1 ZINC001206269972 968186669 /nfs/dbraw/zinc/18/66/69/968186669.db2.gz ZHXZTZHDYFIZHG-ILXRZTDVSA-N 2 2 236.403 2.520 20 0 BFADLP CC1=C[C@H](C)[C@H](C[N@H+]2CC[NH2+]C[C@@H](C)C2)CC1 ZINC001206269972 968186673 /nfs/dbraw/zinc/18/66/73/968186673.db2.gz ZHXZTZHDYFIZHG-ILXRZTDVSA-N 2 2 236.403 2.520 20 0 BFADLP CC(C)CCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337011 968228816 /nfs/dbraw/zinc/22/88/16/968228816.db2.gz QDOSBFYQXXPHBN-ZDUSSCGKSA-N 2 2 230.371 2.576 20 0 BFADLP CC(C)CCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206337011 968228824 /nfs/dbraw/zinc/22/88/24/968228824.db2.gz QDOSBFYQXXPHBN-ZDUSSCGKSA-N 2 2 230.371 2.576 20 0 BFADLP CC(C)[N@H+]([C@H](C)CC(F)(F)F)C(C)(C)C[NH3+] ZINC001255645362 970396539 /nfs/dbraw/zinc/39/65/39/970396539.db2.gz DEUOKCUTKMJRRG-SECBINFHSA-N 2 2 240.313 2.775 20 0 BFADLP CC(C)[N@@H+]([C@H](C)CC(F)(F)F)C(C)(C)C[NH3+] ZINC001255645362 970396546 /nfs/dbraw/zinc/39/65/46/970396546.db2.gz DEUOKCUTKMJRRG-SECBINFHSA-N 2 2 240.313 2.775 20 0 BFADLP C[C@@H](CC[N@@H+]1CC[C@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001235067294 978966651 /nfs/dbraw/zinc/96/66/51/978966651.db2.gz YGKBFULSGNIXPJ-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](CC[N@H+]1CC[C@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001235067294 978966655 /nfs/dbraw/zinc/96/66/55/978966655.db2.gz YGKBFULSGNIXPJ-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@H](C)CC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC001183573547 979851125 /nfs/dbraw/zinc/85/11/25/979851125.db2.gz VMTXAXOWWQVLFK-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@H](C)CC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC001183573547 979851127 /nfs/dbraw/zinc/85/11/27/979851127.db2.gz VMTXAXOWWQVLFK-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+]2CC3CCC2CC3)CC1 ZINC001257218165 971135135 /nfs/dbraw/zinc/13/51/35/971135135.db2.gz RRXJDQLHXBRNCV-UHFFFAOYSA-N 2 2 236.403 2.734 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001257249748 971145033 /nfs/dbraw/zinc/14/50/33/971145033.db2.gz AVBCYRXZCUEBGY-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001257249748 971145038 /nfs/dbraw/zinc/14/50/38/971145038.db2.gz AVBCYRXZCUEBGY-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP CCCC(CCC)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257338866 971246311 /nfs/dbraw/zinc/24/63/11/971246311.db2.gz CIOFRPZHURMDMW-DZGCQCFKSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257338866 971246317 /nfs/dbraw/zinc/24/63/17/971246317.db2.gz CIOFRPZHURMDMW-DZGCQCFKSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001257338866 971246322 /nfs/dbraw/zinc/24/63/22/971246322.db2.gz CIOFRPZHURMDMW-DZGCQCFKSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001257338866 971246325 /nfs/dbraw/zinc/24/63/25/971246325.db2.gz CIOFRPZHURMDMW-DZGCQCFKSA-N 2 2 238.419 2.981 20 0 BFADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC001257354878 971268095 /nfs/dbraw/zinc/26/80/95/971268095.db2.gz PEUAUXSYGUPKPS-AWEZNQCLSA-N 2 2 246.354 2.786 20 0 BFADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](C2CCCC2)C1 ZINC001257354878 971268107 /nfs/dbraw/zinc/26/81/07/971268107.db2.gz PEUAUXSYGUPKPS-AWEZNQCLSA-N 2 2 246.354 2.786 20 0 BFADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000405757853 971304486 /nfs/dbraw/zinc/30/44/86/971304486.db2.gz FKFICOZUHLHSIW-INIZCTEOSA-N 2 2 240.350 2.763 20 0 BFADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000405757853 971304490 /nfs/dbraw/zinc/30/44/90/971304490.db2.gz FKFICOZUHLHSIW-INIZCTEOSA-N 2 2 240.350 2.763 20 0 BFADLP CC[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001257447177 971362054 /nfs/dbraw/zinc/36/20/54/971362054.db2.gz ARZPYKUWFYHHFZ-QWHCGFSZSA-N 2 2 234.343 2.642 20 0 BFADLP CC[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001257447177 971362058 /nfs/dbraw/zinc/36/20/58/971362058.db2.gz ARZPYKUWFYHHFZ-QWHCGFSZSA-N 2 2 234.343 2.642 20 0 BFADLP CCC[C@@H](C)CC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246091257 972146348 /nfs/dbraw/zinc/14/63/48/972146348.db2.gz IRJDWFLTCZUTGJ-RFGFWPKPSA-N 2 2 244.398 2.881 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246144191 972194770 /nfs/dbraw/zinc/19/47/70/972194770.db2.gz SHLDFKSIBLCCNA-XZDPQHSOSA-N 2 2 244.382 2.868 20 0 BFADLP CCC[C@@H](C)CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246216786 972219445 /nfs/dbraw/zinc/21/94/45/972219445.db2.gz IRJDWFLTCZUTGJ-XJFOESAGSA-N 2 2 244.398 2.881 20 0 BFADLP CCCc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246228595 972234078 /nfs/dbraw/zinc/23/40/78/972234078.db2.gz HMNKNTHSZVMWLU-INIZCTEOSA-N 2 2 246.398 2.871 20 0 BFADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001208686584 957121356 /nfs/dbraw/zinc/12/13/56/957121356.db2.gz NRKLTCOYYBPPIU-AWEZNQCLSA-N 2 2 246.354 2.643 20 0 BFADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCC2CC2)C1 ZINC001208686584 957121365 /nfs/dbraw/zinc/12/13/65/957121365.db2.gz NRKLTCOYYBPPIU-AWEZNQCLSA-N 2 2 246.354 2.643 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1ccc(C)cc1 ZINC001246465101 972339680 /nfs/dbraw/zinc/33/96/80/972339680.db2.gz ZOSABSULVVLJSZ-VHDGCEQUSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2C[NH2+][C@H](C)C2)c1C ZINC001246476783 972348727 /nfs/dbraw/zinc/34/87/27/972348727.db2.gz VOCCFLUFAGCKDN-MRVWCRGKSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000235212955 959071138 /nfs/dbraw/zinc/07/11/38/959071138.db2.gz HCOKUUAWLSGFGE-ZIAGYGMSSA-N 2 2 232.371 2.706 20 0 BFADLP Cn1c[nH+]cc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213086368 959173311 /nfs/dbraw/zinc/17/33/11/959173311.db2.gz OGENIMUYBOCJRG-UHFFFAOYSA-N 2 2 239.282 2.554 20 0 BFADLP CC(C)c1ccccc1C[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379902 972449934 /nfs/dbraw/zinc/44/99/34/972449934.db2.gz NHTKXQUGBQFTKZ-UHFFFAOYSA-N 2 2 244.382 2.605 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000692622126 960339521 /nfs/dbraw/zinc/33/95/21/960339521.db2.gz KDAQFJBMJLKSCW-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000692622126 960339529 /nfs/dbraw/zinc/33/95/29/960339529.db2.gz KDAQFJBMJLKSCW-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001140799745 960577988 /nfs/dbraw/zinc/57/79/88/960577988.db2.gz KQFBGVFQAHEBGL-TXEJJXNPSA-N 2 2 241.338 2.795 20 0 BFADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001140799745 960577993 /nfs/dbraw/zinc/57/79/93/960577993.db2.gz KQFBGVFQAHEBGL-TXEJJXNPSA-N 2 2 241.338 2.795 20 0 BFADLP C[C@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140799404 960579516 /nfs/dbraw/zinc/57/95/16/960579516.db2.gz CIRLDMUJALFRAX-JTQLQIEISA-N 2 2 215.300 2.547 20 0 BFADLP C[C@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140799404 960579521 /nfs/dbraw/zinc/57/95/21/960579521.db2.gz CIRLDMUJALFRAX-JTQLQIEISA-N 2 2 215.300 2.547 20 0 BFADLP C[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140799405 960582593 /nfs/dbraw/zinc/58/25/93/960582593.db2.gz CIRLDMUJALFRAX-SNVBAGLBSA-N 2 2 215.300 2.547 20 0 BFADLP C[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140799405 960582601 /nfs/dbraw/zinc/58/26/01/960582601.db2.gz CIRLDMUJALFRAX-SNVBAGLBSA-N 2 2 215.300 2.547 20 0 BFADLP CC[NH+](CC)CCC[C@@H](C)[N@H+](C)CC(F)F ZINC001167834726 961203193 /nfs/dbraw/zinc/20/31/93/961203193.db2.gz MKUNZPYXIYRLLO-LLVKDONJSA-N 2 2 236.350 2.694 20 0 BFADLP CC[NH+](CC)CCC[C@@H](C)[N@@H+](C)CC(F)F ZINC001167834726 961203213 /nfs/dbraw/zinc/20/32/13/961203213.db2.gz MKUNZPYXIYRLLO-LLVKDONJSA-N 2 2 236.350 2.694 20 0 BFADLP CC[NH+](CC)CCC[C@H](C)[N@H+](C)CC(F)F ZINC001167834728 961200170 /nfs/dbraw/zinc/20/01/70/961200170.db2.gz MKUNZPYXIYRLLO-NSHDSACASA-N 2 2 236.350 2.694 20 0 BFADLP CC[NH+](CC)CCC[C@H](C)[N@@H+](C)CC(F)F ZINC001167834728 961200183 /nfs/dbraw/zinc/20/01/83/961200183.db2.gz MKUNZPYXIYRLLO-NSHDSACASA-N 2 2 236.350 2.694 20 0 BFADLP Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)cc(C(C)C)[nH+]1 ZINC000709848772 961716244 /nfs/dbraw/zinc/71/62/44/961716244.db2.gz IZYSPQSRPCNBNA-NEPJUHHUSA-N 2 2 248.374 2.590 20 0 BFADLP c1cn2cc(C[NH+]3CCC4(CC4)CC3)ccc2[nH+]1 ZINC001143021784 961869724 /nfs/dbraw/zinc/86/97/24/961869724.db2.gz GCYAWQLKJYZWCL-UHFFFAOYSA-N 2 2 241.338 2.710 20 0 BFADLP [NH3+][C@H]1CCC[C@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC001154975466 962927076 /nfs/dbraw/zinc/92/70/76/962927076.db2.gz HSBOBWVUWGXSBB-KBPBESRZSA-N 2 2 241.338 2.917 20 0 BFADLP Cc1cc2ccccc2c(N[C@@H](C)C[NH+](C)C)[nH+]1 ZINC001155921137 963204580 /nfs/dbraw/zinc/20/45/80/963204580.db2.gz KLCPREYUNYDQBN-LBPRGKRZSA-N 2 2 243.354 2.905 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204801406 963665421 /nfs/dbraw/zinc/66/54/21/963665421.db2.gz OJCRORWDOATKGF-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CC[C@](C)([NH3+])C2)c1 ZINC001204801406 963665428 /nfs/dbraw/zinc/66/54/28/963665428.db2.gz OJCRORWDOATKGF-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CCCc1cc[nH+]c(NC=CC2CC[NH2+]CC2)c1 ZINC001159409336 964079611 /nfs/dbraw/zinc/07/96/11/964079611.db2.gz RHHIHMRPNCYXDD-UXBLZVDNSA-N 2 2 245.370 2.959 20 0 BFADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c[nH+]c1C ZINC001162457846 964985655 /nfs/dbraw/zinc/98/56/55/964985655.db2.gz RRXWSHVLRBXELZ-GXTWGEPZSA-N 2 2 247.386 2.746 20 0 BFADLP C[C@H]1CC[C@@H](C[NH3+])CN1c1cccc(C2CC2)[nH+]1 ZINC001164472912 965896011 /nfs/dbraw/zinc/89/60/11/965896011.db2.gz ASFIPEQMCOLCSJ-RYUDHWBXSA-N 2 2 245.370 2.523 20 0 BFADLP C[C@H]1CC[C@H](C[NH3+])CN1c1cccc(C2CC2)[nH+]1 ZINC001164472911 965896431 /nfs/dbraw/zinc/89/64/31/965896431.db2.gz ASFIPEQMCOLCSJ-NWDGAFQWSA-N 2 2 245.370 2.523 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC001236052496 966255612 /nfs/dbraw/zinc/25/56/12/966255612.db2.gz RUZOLMABFHVKBF-CZUORRHYSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)c1 ZINC001236052496 966255630 /nfs/dbraw/zinc/25/56/30/966255630.db2.gz RUZOLMABFHVKBF-CZUORRHYSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC001236052497 966256792 /nfs/dbraw/zinc/25/67/92/966256792.db2.gz RUZOLMABFHVKBF-XJKSGUPXSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)c1 ZINC001236052497 966256798 /nfs/dbraw/zinc/25/67/98/966256798.db2.gz RUZOLMABFHVKBF-XJKSGUPXSA-N 2 2 246.398 2.979 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236202429 966307193 /nfs/dbraw/zinc/30/71/93/966307193.db2.gz RKUXLGXJPVUFDT-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236202429 966307204 /nfs/dbraw/zinc/30/72/04/966307204.db2.gz RKUXLGXJPVUFDT-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1cccc(C[N@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236235984 966318003 /nfs/dbraw/zinc/31/80/03/966318003.db2.gz HWFMQCFBQIRZOU-MRXNPFEDSA-N 2 2 244.382 2.711 20 0 BFADLP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CCC[NH2+]C2)c1 ZINC001236235984 966318015 /nfs/dbraw/zinc/31/80/15/966318015.db2.gz HWFMQCFBQIRZOU-MRXNPFEDSA-N 2 2 244.382 2.711 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)c2ccccc12 ZINC001236895450 966612507 /nfs/dbraw/zinc/61/25/07/966612507.db2.gz PBLJQPILNJMWHX-NSHDSACASA-N 2 2 246.329 2.758 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)c2ccccc12 ZINC001236895450 966612518 /nfs/dbraw/zinc/61/25/18/966612518.db2.gz PBLJQPILNJMWHX-NSHDSACASA-N 2 2 246.329 2.758 20 0 BFADLP Cc1ccccc1C[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001203708110 966746993 /nfs/dbraw/zinc/74/69/93/966746993.db2.gz FFFMDRMCTURSFB-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001203708110 966747010 /nfs/dbraw/zinc/74/70/10/966747010.db2.gz FFFMDRMCTURSFB-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001203708110 966747016 /nfs/dbraw/zinc/74/70/16/966747016.db2.gz FFFMDRMCTURSFB-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001203708110 966747024 /nfs/dbraw/zinc/74/70/24/966747024.db2.gz FFFMDRMCTURSFB-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)c1 ZINC001203893154 966812371 /nfs/dbraw/zinc/81/23/71/966812371.db2.gz YJOIRCBMASDQHU-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)c1 ZINC001203893154 966812376 /nfs/dbraw/zinc/81/23/76/966812376.db2.gz YJOIRCBMASDQHU-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c1 ZINC001203893154 966812379 /nfs/dbraw/zinc/81/23/79/966812379.db2.gz YJOIRCBMASDQHU-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)c1 ZINC001203893154 966812383 /nfs/dbraw/zinc/81/23/83/966812383.db2.gz YJOIRCBMASDQHU-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c[nH+]c1C ZINC001168601338 966970032 /nfs/dbraw/zinc/97/00/32/966970032.db2.gz LZMIVHNBQFUKAT-GJZGRUSLSA-N 2 2 247.386 2.983 20 0 BFADLP Cc1cc(C)[nH+]c(Nc2c[nH+]c(N)c(C)c2)c1 ZINC001249779431 967054283 /nfs/dbraw/zinc/05/42/83/967054283.db2.gz VHODCDDWLNUAGH-UHFFFAOYSA-N 2 2 228.299 2.728 20 0 BFADLP Cc1cc[nH+]c(C)c1Nc1c[nH+]c(N)c(C)c1 ZINC001249781478 967059605 /nfs/dbraw/zinc/05/96/05/967059605.db2.gz FVJCIZQSEWETBJ-UHFFFAOYSA-N 2 2 228.299 2.728 20 0 BFADLP C[C@@]1([NH3+])CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC001204771978 967157704 /nfs/dbraw/zinc/15/77/04/967157704.db2.gz RZNARZLRVPIGFT-CQSZACIVSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001204771978 967157710 /nfs/dbraw/zinc/15/77/10/967157710.db2.gz RZNARZLRVPIGFT-CQSZACIVSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001204885218 967213080 /nfs/dbraw/zinc/21/30/80/967213080.db2.gz OANNKBSZUOALJT-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001204885218 967213095 /nfs/dbraw/zinc/21/30/95/967213095.db2.gz OANNKBSZUOALJT-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001204925078 967235369 /nfs/dbraw/zinc/23/53/69/967235369.db2.gz LSGOPCDHHMYLFI-INIZCTEOSA-N 2 2 246.398 2.952 20 0 BFADLP CCCc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])cc1 ZINC001204925078 967235383 /nfs/dbraw/zinc/23/53/83/967235383.db2.gz LSGOPCDHHMYLFI-INIZCTEOSA-N 2 2 246.398 2.952 20 0 BFADLP [NH3+][C@H]1CCC[N@H+](Cc2ccsc2Cl)CC1 ZINC001205116915 967366349 /nfs/dbraw/zinc/36/63/49/967366349.db2.gz JBBJAMQSTZXWJA-JTQLQIEISA-N 2 2 244.791 2.715 20 0 BFADLP [NH3+][C@H]1CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC001205116915 967366356 /nfs/dbraw/zinc/36/63/56/967366356.db2.gz JBBJAMQSTZXWJA-JTQLQIEISA-N 2 2 244.791 2.715 20 0 BFADLP c1cn(CCC2=CC[C@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC001250318597 967690314 /nfs/dbraw/zinc/69/03/14/967690314.db2.gz GWDLMQZBUBRGOJ-HNNXBMFYSA-N 2 2 245.370 2.848 20 0 BFADLP c1cn2ccc(Nc3ccc4c[nH+]cn4c3)cc2[nH+]1 ZINC001250327951 967708833 /nfs/dbraw/zinc/70/88/33/967708833.db2.gz ICMXBDLAMOGMIT-UHFFFAOYSA-N 2 2 249.277 2.726 20 0 BFADLP CC(C)CC[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020201247 967848727 /nfs/dbraw/zinc/84/87/27/967848727.db2.gz KBHCUGVACWPFMY-ZDUSSCGKSA-N 2 2 214.397 2.598 20 0 BFADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cs1 ZINC001205851865 967853741 /nfs/dbraw/zinc/85/37/41/967853741.db2.gz CMDNFUODLDUXLO-ZWNOBZJWSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])cs1 ZINC001205851865 967853747 /nfs/dbraw/zinc/85/37/47/967853747.db2.gz CMDNFUODLDUXLO-ZWNOBZJWSA-N 2 2 238.400 2.616 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1[NH3+] ZINC001206075694 968042963 /nfs/dbraw/zinc/04/29/63/968042963.db2.gz VCAPPCORTZFDPK-MLGOLLRUSA-N 2 2 244.382 2.733 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@H]1[NH3+] ZINC001206075694 968042970 /nfs/dbraw/zinc/04/29/70/968042970.db2.gz VCAPPCORTZFDPK-MLGOLLRUSA-N 2 2 244.382 2.733 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)n1C ZINC001206794855 968476700 /nfs/dbraw/zinc/47/67/00/968476700.db2.gz ZIGIJTQLKLHTSP-UKRRQHHQSA-N 2 2 247.386 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)n1C ZINC001206794855 968476706 /nfs/dbraw/zinc/47/67/06/968476706.db2.gz ZIGIJTQLKLHTSP-UKRRQHHQSA-N 2 2 247.386 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)n1C ZINC001206794854 968479471 /nfs/dbraw/zinc/47/94/71/968479471.db2.gz ZIGIJTQLKLHTSP-HIFRSBDPSA-N 2 2 247.386 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)n1C ZINC001206794854 968479478 /nfs/dbraw/zinc/47/94/78/968479478.db2.gz ZIGIJTQLKLHTSP-HIFRSBDPSA-N 2 2 247.386 2.883 20 0 BFADLP CC(C)(C)C(=[NH2+])Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001155181729 968915139 /nfs/dbraw/zinc/91/51/39/968915139.db2.gz PFHZDOPJFIFZHN-UHFFFAOYSA-N 2 2 243.314 2.703 20 0 BFADLP CC/C=C\CCC[N@H+](CC)CCn1cc[nH+]c1 ZINC001208137243 969045822 /nfs/dbraw/zinc/04/58/22/969045822.db2.gz FUFQEUROELTNRF-WAYWQWQTSA-N 2 2 235.375 2.951 20 0 BFADLP CC/C=C\CCC[N@@H+](CC)CCn1cc[nH+]c1 ZINC001208137243 969045830 /nfs/dbraw/zinc/04/58/30/969045830.db2.gz FUFQEUROELTNRF-WAYWQWQTSA-N 2 2 235.375 2.951 20 0 BFADLP CCc1[nH+]ccc(C)c1NC1=CC[N@H+](C)CC1 ZINC001208838221 969249420 /nfs/dbraw/zinc/24/94/20/969249420.db2.gz PUBOVAQBEZREQI-UHFFFAOYSA-N 2 2 231.343 2.584 20 0 BFADLP CCc1[nH+]ccc(C)c1NC1=CC[N@@H+](C)CC1 ZINC001208838221 969249430 /nfs/dbraw/zinc/24/94/30/969249430.db2.gz PUBOVAQBEZREQI-UHFFFAOYSA-N 2 2 231.343 2.584 20 0 BFADLP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccn1 ZINC001169231156 969504338 /nfs/dbraw/zinc/50/43/38/969504338.db2.gz SGBOXKFJEZIXPU-AWEZNQCLSA-N 2 2 247.386 2.607 20 0 BFADLP CC[NH+]1CCC([N@H+](Cc2ccco2)C2CC2)CC1 ZINC001169261668 969521432 /nfs/dbraw/zinc/52/14/32/969521432.db2.gz LDYCLIVBMBEUOS-UHFFFAOYSA-N 2 2 248.370 2.728 20 0 BFADLP CC[NH+]1CCC([N@@H+](Cc2ccco2)C2CC2)CC1 ZINC001169261668 969521444 /nfs/dbraw/zinc/52/14/44/969521444.db2.gz LDYCLIVBMBEUOS-UHFFFAOYSA-N 2 2 248.370 2.728 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001169266633 969524409 /nfs/dbraw/zinc/52/44/09/969524409.db2.gz ZLROONIAULFWIJ-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001169266633 969524416 /nfs/dbraw/zinc/52/44/16/969524416.db2.gz ZLROONIAULFWIJ-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP Cc1ccc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)[nH+]1 ZINC001254238584 969548583 /nfs/dbraw/zinc/54/85/83/969548583.db2.gz UBWMOVGUHVFGGG-BMIGLBTASA-N 2 2 245.370 2.593 20 0 BFADLP Cc1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)[nH+]1 ZINC001254238584 969548589 /nfs/dbraw/zinc/54/85/89/969548589.db2.gz UBWMOVGUHVFGGG-BMIGLBTASA-N 2 2 245.370 2.593 20 0 BFADLP Nc1cc[nH+]cc1C[NH+]1CCCCCCCC1 ZINC001209733476 969593787 /nfs/dbraw/zinc/59/37/87/969593787.db2.gz YDXDFFZDAMFLDV-UHFFFAOYSA-N 2 2 233.359 2.650 20 0 BFADLP Cc1[nH+]cn(C2CCC3(CC3)CC2)c1CC[NH3+] ZINC001254433119 969620205 /nfs/dbraw/zinc/62/02/05/969620205.db2.gz BMLNYQFMIIZIPG-UHFFFAOYSA-N 2 2 233.359 2.588 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254833548 969795410 /nfs/dbraw/zinc/79/54/10/969795410.db2.gz ZYJYZZXCJRPDPR-INIZCTEOSA-N 2 2 244.382 2.569 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833635 969795939 /nfs/dbraw/zinc/79/59/39/969795939.db2.gz QLQQITSCYBKLAM-BPLDGKMQSA-N 2 2 236.403 2.639 20 0 BFADLP C1C[NH+]2CCC1C[C@H]([NH2+]C1CCCCCC1)C2 ZINC001254832665 969797166 /nfs/dbraw/zinc/79/71/66/969797166.db2.gz QJVHXENFXHQAQX-HNNXBMFYSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+][C@H]2CC3CC[NH+](CC3)C2)CCCC1 ZINC001254833615 969797535 /nfs/dbraw/zinc/79/75/35/969797535.db2.gz QFMLEBQHORWTNM-AWEZNQCLSA-N 2 2 236.403 2.641 20 0 BFADLP C(CC1CCCC1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254836667 969800164 /nfs/dbraw/zinc/80/01/64/969800164.db2.gz OAHZPKCHOJPPSD-HNNXBMFYSA-N 2 2 236.403 2.641 20 0 BFADLP C1=C(CC[NH2+][C@H]2CC3CC[NH+](CC3)C2)CCCC1 ZINC001254840170 969802093 /nfs/dbraw/zinc/80/20/93/969802093.db2.gz CWXFKTRIKCLJDK-INIZCTEOSA-N 2 2 248.414 2.951 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254846914 969803809 /nfs/dbraw/zinc/80/38/09/969803809.db2.gz YAXZRODSSBSAJN-CFVMTHIKSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)(CC1CC1)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254844699 969804239 /nfs/dbraw/zinc/80/42/39/969804239.db2.gz KMBODANZXPIUOT-AWEZNQCLSA-N 2 2 236.403 2.639 20 0 BFADLP C1[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C12CCCCC2 ZINC001254846824 969804298 /nfs/dbraw/zinc/80/42/98/969804298.db2.gz WFTAHPOZNUAFKV-GJZGRUSLSA-N 2 2 248.414 2.783 20 0 BFADLP C1CCC2(C1)CC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254862411 969811224 /nfs/dbraw/zinc/81/12/24/969811224.db2.gz JMMIMZSYAORNHK-HNNXBMFYSA-N 2 2 248.414 2.737 20 0 BFADLP C1CCC2(C1)CC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254862411 969811233 /nfs/dbraw/zinc/81/12/33/969811233.db2.gz JMMIMZSYAORNHK-HNNXBMFYSA-N 2 2 248.414 2.737 20 0 BFADLP C1[NH+]([C@@H]2CC3CC[NH+](CC3)C2)CC12CCCCC2 ZINC001254864521 969812713 /nfs/dbraw/zinc/81/27/13/969812713.db2.gz QZLXOJXUSWIBNB-OAHLLOKOSA-N 2 2 248.414 2.737 20 0 BFADLP C1CC2(C1)CCC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254866853 969813220 /nfs/dbraw/zinc/81/32/20/969813220.db2.gz CJMIYKVCYKIBQW-OAHLLOKOSA-N 2 2 248.414 2.737 20 0 BFADLP C1CC2(C1)CCC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254866853 969813226 /nfs/dbraw/zinc/81/32/26/969813226.db2.gz CJMIYKVCYKIBQW-OAHLLOKOSA-N 2 2 248.414 2.737 20 0 BFADLP Cc1cc(NC(C)(C)CC[NH+](C)C)c[nH+]c1C ZINC001169718403 969832091 /nfs/dbraw/zinc/83/20/91/969832091.db2.gz UBTTXYNIJNJLOR-UHFFFAOYSA-N 2 2 235.375 2.841 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001255315781 970088470 /nfs/dbraw/zinc/08/84/70/970088470.db2.gz AQMCTWNKSPVCMX-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001255315781 970088485 /nfs/dbraw/zinc/08/84/85/970088485.db2.gz AQMCTWNKSPVCMX-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP C[NH2+]Cc1ccc(Nc2cccc(C)[nH+]2)cc1 ZINC001211127448 970156235 /nfs/dbraw/zinc/15/62/35/970156235.db2.gz IODBUUGYGRTGMC-UHFFFAOYSA-N 2 2 227.311 2.853 20 0 BFADLP Cc1ccc(C[C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC001255773469 970479297 /nfs/dbraw/zinc/47/92/97/970479297.db2.gz YINWUYSEHBCUMZ-OAHLLOKOSA-N 2 2 246.398 2.611 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[NH+]1CCC(F)(F)CC1 ZINC001255954634 970588723 /nfs/dbraw/zinc/58/87/23/970588723.db2.gz GPWJZFDHEHPMRM-LBPRGKRZSA-N 2 2 248.361 2.838 20 0 BFADLP C[C@H]1CCC[C@H](C)[NH+]1C1CC[NH+](C2CC2)CC1 ZINC001256073033 970641987 /nfs/dbraw/zinc/64/19/87/970641987.db2.gz MCPUFIVXTSLSJK-STQMWFEESA-N 2 2 236.403 2.876 20 0 BFADLP C[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC001256077473 970646390 /nfs/dbraw/zinc/64/63/90/970646390.db2.gz ONBPZINBBHMLNM-OLZOCXBDSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC001256077473 970646396 /nfs/dbraw/zinc/64/63/96/970646396.db2.gz ONBPZINBBHMLNM-OLZOCXBDSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)C1CCC([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246665218 973075197 /nfs/dbraw/zinc/07/51/97/973075197.db2.gz ZVYXQKWBLDOTMY-OOJKYFRXSA-N 2 2 236.403 2.624 20 0 BFADLP CC(C)C1CCC([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001246665218 973075218 /nfs/dbraw/zinc/07/52/18/973075218.db2.gz ZVYXQKWBLDOTMY-OOJKYFRXSA-N 2 2 236.403 2.624 20 0 BFADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1C[NH2+][C@H](C)C1 ZINC001246912632 973455456 /nfs/dbraw/zinc/45/54/56/973455456.db2.gz ZQYKGJXQRDJADN-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1C[NH2+][C@H](C)C1 ZINC001246912632 973455477 /nfs/dbraw/zinc/45/54/77/973455477.db2.gz ZQYKGJXQRDJADN-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1[nH+]cn([C@@H]2CC[C@@H](C)[C@@H](C)C2)c1CC[NH3+] ZINC001172357680 974627301 /nfs/dbraw/zinc/62/73/01/974627301.db2.gz AIUBZBDKAJOQMH-NTZNESFSSA-N 2 2 235.375 2.690 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C[C@@H]1C ZINC001172371159 974650620 /nfs/dbraw/zinc/65/06/20/974650620.db2.gz XIMMJSLPFLFJRD-HZSPNIEDSA-N 2 2 248.370 2.875 20 0 BFADLP CC[C@H]1CC[C@@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001173271157 975143445 /nfs/dbraw/zinc/14/34/45/975143445.db2.gz BPIAMLYIXWFSJR-GXTWGEPZSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001173271157 975143451 /nfs/dbraw/zinc/14/34/51/975143451.db2.gz BPIAMLYIXWFSJR-GXTWGEPZSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001173271836 975148650 /nfs/dbraw/zinc/14/86/50/975148650.db2.gz IIYUIEULRXWASW-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001173271836 975148654 /nfs/dbraw/zinc/14/86/54/975148654.db2.gz IIYUIEULRXWASW-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001173273317 975151828 /nfs/dbraw/zinc/15/18/28/975151828.db2.gz NHYKVZZROCFQNK-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001173273317 975151844 /nfs/dbraw/zinc/15/18/44/975151844.db2.gz NHYKVZZROCFQNK-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CCc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC001173240177 975166753 /nfs/dbraw/zinc/16/67/53/975166753.db2.gz WKTWSLQBWYWLPT-KGLIPLIRSA-N 2 2 248.414 2.720 20 0 BFADLP c1cn2cc(Nc3cccn4cc[nH+]c34)ccc2[nH+]1 ZINC001174277397 976503656 /nfs/dbraw/zinc/50/36/56/976503656.db2.gz SMNDDKZYTNXICG-UHFFFAOYSA-N 2 2 249.277 2.726 20 0 BFADLP c1cn2ccc(Nc3ccc4[nH+]ccn4c3)cc2[nH+]1 ZINC001174276859 976508273 /nfs/dbraw/zinc/50/82/73/976508273.db2.gz TUZTYXVWNLKLLI-UHFFFAOYSA-N 2 2 249.277 2.726 20 0 BFADLP Cc1cc[nH+]c(C)c1Nc1cc[nH+]cc1C ZINC001174536637 976818086 /nfs/dbraw/zinc/81/80/86/976818086.db2.gz HVWJDEYLGQUUMU-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP CCc1ccc(NC2CC[NH+](CC)CC2)[nH+]c1 ZINC001336443138 977691855 /nfs/dbraw/zinc/69/18/55/977691855.db2.gz AVICDAZWGWJPAM-UHFFFAOYSA-N 2 2 233.359 2.540 20 0 BFADLP Cc1c[nH+]c(Nc2cc(C)[nH+]c(C)c2)c(C)c1 ZINC001176054227 977905266 /nfs/dbraw/zinc/90/52/66/977905266.db2.gz BAVIGASTKRHEIO-UHFFFAOYSA-N 2 2 227.311 2.876 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C)o1 ZINC001179825348 978770054 /nfs/dbraw/zinc/77/00/54/978770054.db2.gz LSHMDKYBNLUHDM-LBPRGKRZSA-N 2 2 238.375 2.798 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C)o1 ZINC001179825347 978771109 /nfs/dbraw/zinc/77/11/09/978771109.db2.gz LSHMDKYBNLUHDM-GFCCVEGCSA-N 2 2 238.375 2.798 20 0 BFADLP CC/C=C\CCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235003220 978949074 /nfs/dbraw/zinc/94/90/74/978949074.db2.gz LENKTCKHMCHURG-CGXNLCPXSA-N 2 2 236.403 2.949 20 0 BFADLP CC/C=C\CCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235003220 978949078 /nfs/dbraw/zinc/94/90/78/978949078.db2.gz LENKTCKHMCHURG-CGXNLCPXSA-N 2 2 236.403 2.949 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c(C)c1 ZINC001235037483 978958659 /nfs/dbraw/zinc/95/86/59/978958659.db2.gz GOKSGMYLRXSOAL-JKSUJKDBSA-N 2 2 244.382 2.548 20 0 BFADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]32)c(C)c1 ZINC001235037483 978958663 /nfs/dbraw/zinc/95/86/63/978958663.db2.gz GOKSGMYLRXSOAL-JKSUJKDBSA-N 2 2 244.382 2.548 20 0 BFADLP CC/C=C\CCCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235235463 979001593 /nfs/dbraw/zinc/00/15/93/979001593.db2.gz LENKTCKHMCHURG-OVNWPICBSA-N 2 2 236.403 2.949 20 0 BFADLP CC/C=C\CCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235235463 979001601 /nfs/dbraw/zinc/00/16/01/979001601.db2.gz LENKTCKHMCHURG-OVNWPICBSA-N 2 2 236.403 2.949 20 0 BFADLP C[C@@H](CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21)CC(C)(C)C ZINC001235235039 979003069 /nfs/dbraw/zinc/00/30/69/979003069.db2.gz DUYWOYUTQPUKSD-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21)CC(C)(C)C ZINC001235235039 979003072 /nfs/dbraw/zinc/00/30/72/979003072.db2.gz DUYWOYUTQPUKSD-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCC[C@H]1c1ccccc1C ZINC001235442526 979046288 /nfs/dbraw/zinc/04/62/88/979046288.db2.gz LPAHWIBKPXJZGK-HNNXBMFYSA-N 2 2 232.371 2.741 20 0 BFADLP CC[NH2+]CC[N@H+]1CCC[C@H]1c1ccccc1C ZINC001235442526 979046292 /nfs/dbraw/zinc/04/62/92/979046292.db2.gz LPAHWIBKPXJZGK-HNNXBMFYSA-N 2 2 232.371 2.741 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235905537 979198946 /nfs/dbraw/zinc/19/89/46/979198946.db2.gz MMNUQNWYXNQFAQ-CJNGLKHVSA-N 2 2 246.398 2.951 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1 ZINC001235905537 979198949 /nfs/dbraw/zinc/19/89/49/979198949.db2.gz MMNUQNWYXNQFAQ-CJNGLKHVSA-N 2 2 246.398 2.951 20 0 BFADLP C[C@H](CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1)CC(C)(C)C ZINC001235910501 979201451 /nfs/dbraw/zinc/20/14/51/979201451.db2.gz QKYGPENPSGHKSU-FRRDWIJNSA-N 2 2 244.398 2.820 20 0 BFADLP C[C@H](CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1)CC(C)(C)C ZINC001235910501 979201459 /nfs/dbraw/zinc/20/14/59/979201459.db2.gz QKYGPENPSGHKSU-FRRDWIJNSA-N 2 2 244.398 2.820 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccc(C2CCC2)cc1 ZINC001236143014 979407757 /nfs/dbraw/zinc/40/77/57/979407757.db2.gz CYNURPUFPVQCCU-UHFFFAOYSA-N 2 2 232.371 2.735 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccc(C2CCC2)cc1 ZINC001236143014 979407764 /nfs/dbraw/zinc/40/77/64/979407764.db2.gz CYNURPUFPVQCCU-UHFFFAOYSA-N 2 2 232.371 2.735 20 0 BFADLP Cc1c2ccccc2sc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236170690 979423957 /nfs/dbraw/zinc/42/39/57/979423957.db2.gz ZHBVQWDYQVWPHC-LLVKDONJSA-N 2 2 246.379 2.743 20 0 BFADLP Cc1c2ccccc2sc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236170690 979423963 /nfs/dbraw/zinc/42/39/63/979423963.db2.gz ZHBVQWDYQVWPHC-LLVKDONJSA-N 2 2 246.379 2.743 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](CC)Cc1cccc(Cl)c1 ZINC001236195501 979438316 /nfs/dbraw/zinc/43/83/16/979438316.db2.gz UDYWNYCICGPZCA-ZDUSSCGKSA-N 2 2 240.778 2.899 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](CC)Cc1cccc(Cl)c1 ZINC001236195501 979438327 /nfs/dbraw/zinc/43/83/27/979438327.db2.gz UDYWNYCICGPZCA-ZDUSSCGKSA-N 2 2 240.778 2.899 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236247393 979466111 /nfs/dbraw/zinc/46/61/11/979466111.db2.gz SHSOJFMMNNPFNH-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP CCCc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236247393 979466114 /nfs/dbraw/zinc/46/61/14/979466114.db2.gz SHSOJFMMNNPFNH-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP CCCCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236247652 979468051 /nfs/dbraw/zinc/46/80/51/979468051.db2.gz UTMJTABCKBPTJT-MRXNPFEDSA-N 2 2 246.398 2.952 20 0 BFADLP CCCCc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC001236247652 979468057 /nfs/dbraw/zinc/46/80/57/979468057.db2.gz UTMJTABCKBPTJT-MRXNPFEDSA-N 2 2 246.398 2.952 20 0 BFADLP Nc1ccc(-c2cccc(C3([NH3+])CCC3)c2)c[nH+]1 ZINC001236318061 979532764 /nfs/dbraw/zinc/53/27/64/979532764.db2.gz WXIDSWOJAMNYGP-UHFFFAOYSA-N 2 2 239.322 2.669 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)c1 ZINC001236417800 979593275 /nfs/dbraw/zinc/59/32/75/979593275.db2.gz DAFSWOZCBNBXNV-DOMZBBRYSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)c1 ZINC001236417800 979593284 /nfs/dbraw/zinc/59/32/84/979593284.db2.gz DAFSWOZCBNBXNV-DOMZBBRYSA-N 2 2 232.371 2.561 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)sc1C ZINC001236867910 979771449 /nfs/dbraw/zinc/77/14/49/979771449.db2.gz FYXPUCLPVRDSAR-LBPRGKRZSA-N 2 2 226.389 2.534 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)sc1C ZINC001236867910 979771456 /nfs/dbraw/zinc/77/14/56/979771456.db2.gz FYXPUCLPVRDSAR-LBPRGKRZSA-N 2 2 226.389 2.534 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)cc1C ZINC001236870594 979775636 /nfs/dbraw/zinc/77/56/36/979775636.db2.gz SPWZXLVGDKMKJE-ZDUSSCGKSA-N 2 2 240.778 2.818 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)cc1C ZINC001236870594 979775642 /nfs/dbraw/zinc/77/56/42/979775642.db2.gz SPWZXLVGDKMKJE-ZDUSSCGKSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1cc(C[N@@H+](C)C[C@H](C)[NH3+])cc(C)c1Cl ZINC001236908351 979793609 /nfs/dbraw/zinc/79/36/09/979793609.db2.gz GWVZBPBBFOXMNY-NSHDSACASA-N 2 2 240.778 2.736 20 0 BFADLP Cc1cc(C[N@H+](C)C[C@H](C)[NH3+])cc(C)c1Cl ZINC001236908351 979793617 /nfs/dbraw/zinc/79/36/17/979793617.db2.gz GWVZBPBBFOXMNY-NSHDSACASA-N 2 2 240.778 2.736 20 0 BFADLP c1cn2cc(-c3ccc4c(c3)CC[NH2+]C4)ccc2[nH+]1 ZINC001240217836 981166533 /nfs/dbraw/zinc/16/65/33/981166533.db2.gz PINYLCPPDXAORL-UHFFFAOYSA-N 2 2 249.317 2.647 20 0 BFADLP [NH3+]Cc1cccc(-c2ccc3[nH+]ccn3c2)c1F ZINC001240218454 981170970 /nfs/dbraw/zinc/17/09/70/981170970.db2.gz DCAZICMYNWEGPL-UHFFFAOYSA-N 2 2 241.269 2.599 20 0 BFADLP CC(C)[C@@H]1CCCCC[N@@H+]1CCc1c[nH+]cn1C ZINC001192654181 981178038 /nfs/dbraw/zinc/17/80/38/981178038.db2.gz WDCMXXYZPVLODK-HNNXBMFYSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)[C@@H]1CCCCC[N@H+]1CCc1c[nH+]cn1C ZINC001192654181 981178039 /nfs/dbraw/zinc/17/80/39/981178039.db2.gz WDCMXXYZPVLODK-HNNXBMFYSA-N 2 2 249.402 2.863 20 0 BFADLP c1cn2ccc(-c3ccc4c[nH+]cn4c3)cc2[nH+]1 ZINC001240508757 981432834 /nfs/dbraw/zinc/43/28/34/981432834.db2.gz JVZTVIYYKQDTEW-UHFFFAOYSA-N 2 2 234.262 2.649 20 0 BFADLP [NH3+][C@@H]1CCc2ccc(-c3ccn4cc[nH+]c4c3)cc21 ZINC001240518251 981446838 /nfs/dbraw/zinc/44/68/38/981446838.db2.gz MPEKUKXIBQTIDB-OAHLLOKOSA-N 2 2 249.317 2.947 20 0 BFADLP Fc1cccc([C@@H]2CC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001350358130 981938411 /nfs/dbraw/zinc/93/84/11/981938411.db2.gz KEJIEBDWQUPPFB-DOMZBBRYSA-N 2 2 248.345 2.572 20 0 BFADLP Fc1cccc([C@@H]2CC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001350358130 981938418 /nfs/dbraw/zinc/93/84/18/981938418.db2.gz KEJIEBDWQUPPFB-DOMZBBRYSA-N 2 2 248.345 2.572 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])s1 ZINC001205804290 982564289 /nfs/dbraw/zinc/56/42/89/982564289.db2.gz MNRVGLFQSJSTIH-PWSUYJOCSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])s1 ZINC001205804290 982564293 /nfs/dbraw/zinc/56/42/93/982564293.db2.gz MNRVGLFQSJSTIH-PWSUYJOCSA-N 2 2 238.400 2.616 20 0 BFADLP CC[N@H+](C[C@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC001201416907 983214038 /nfs/dbraw/zinc/21/40/38/983214038.db2.gz CCYVPJNNHGDCJG-AWEZNQCLSA-N 2 2 236.403 2.759 20 0 BFADLP CC[N@@H+](C[C@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC001201416907 983214048 /nfs/dbraw/zinc/21/40/48/983214048.db2.gz CCYVPJNNHGDCJG-AWEZNQCLSA-N 2 2 236.403 2.759 20 0 BFADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@H]2CC[NH2+]2)c(C)c1 ZINC001579571445 984291884 /nfs/dbraw/zinc/29/18/84/984291884.db2.gz FNZDXBDWKVIHLB-MBVDDHJVSA-N 2 2 244.382 2.577 20 0 BFADLP CCC[C@H](CC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001257258602 984858974 /nfs/dbraw/zinc/85/89/74/984858974.db2.gz DWQWKTGTCMVCFY-LBPRGKRZSA-N 2 2 235.375 2.631 20 0 BFADLP CCc1ccc(C[NH2+][C@](C)(C[NH3+])CC(C)C)o1 ZINC001578259696 984897185 /nfs/dbraw/zinc/89/71/85/984897185.db2.gz FWROOGCUXRDZKI-AWEZNQCLSA-N 2 2 238.375 2.695 20 0 BFADLP Cc1[nH+]ccc(/C=C/C2CC[NH2+]CC2)c1C ZINC001243896319 985578191 /nfs/dbraw/zinc/57/81/91/985578191.db2.gz MVGKZTBUOYMBOW-ONEGZZNKSA-N 2 2 216.328 2.711 20 0 BFADLP Cc1cccc(CCC[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC001579759289 986207185 /nfs/dbraw/zinc/20/71/85/986207185.db2.gz BYYJDNFVSWIGSB-OAHLLOKOSA-N 2 2 246.398 2.597 20 0 BFADLP Cc1cccc(CCC[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC001579759289 986207202 /nfs/dbraw/zinc/20/72/02/986207202.db2.gz BYYJDNFVSWIGSB-OAHLLOKOSA-N 2 2 246.398 2.597 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001258813362 986274241 /nfs/dbraw/zinc/27/42/41/986274241.db2.gz KBIGPNYJZIBVPP-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001258813362 986274259 /nfs/dbraw/zinc/27/42/59/986274259.db2.gz KBIGPNYJZIBVPP-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CC=CCC2)C1 ZINC001462503851 986407613 /nfs/dbraw/zinc/40/76/13/986407613.db2.gz NBCUTXMAVKTAQD-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@@H]2CC=CCC2)C1 ZINC001462503851 986407616 /nfs/dbraw/zinc/40/76/16/986407616.db2.gz NBCUTXMAVKTAQD-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP CNc1cc(-c2ccc(C3([NH3+])CC3)cc2)cc[nH+]1 ZINC001244974480 986560446 /nfs/dbraw/zinc/56/04/46/986560446.db2.gz YIOSHBBSEFHJGV-UHFFFAOYSA-N 2 2 239.322 2.738 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCC4(CC4)CC3)C[C@H]21 ZINC001254449851 986644796 /nfs/dbraw/zinc/64/47/96/986644796.db2.gz XKRASPLHLNQFGY-UKRRQHHQSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCC4(CC4)CC3)C[C@H]21 ZINC001254449851 986644801 /nfs/dbraw/zinc/64/48/01/986644801.db2.gz XKRASPLHLNQFGY-UKRRQHHQSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCC4(CC4)CC3)C[C@H]21 ZINC001254449851 986644805 /nfs/dbraw/zinc/64/48/05/986644805.db2.gz XKRASPLHLNQFGY-UKRRQHHQSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCC4(CC4)CC3)C[C@H]21 ZINC001254449851 986644814 /nfs/dbraw/zinc/64/48/14/986644814.db2.gz XKRASPLHLNQFGY-UKRRQHHQSA-N 2 2 248.414 2.735 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000695683945 987332671 /nfs/dbraw/zinc/33/26/71/987332671.db2.gz QXJQRYLDEZBPBM-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000695683945 987332678 /nfs/dbraw/zinc/33/26/78/987332678.db2.gz QXJQRYLDEZBPBM-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)C[NH2+]1 ZINC001246064064 987352256 /nfs/dbraw/zinc/35/22/56/987352256.db2.gz FSDKTFHBDCWDAT-SWLSCSKDSA-N 2 2 240.350 2.680 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C[NH2+]1 ZINC001246076134 987364393 /nfs/dbraw/zinc/36/43/93/987364393.db2.gz AUXJYHUBPIRTGA-DUVNUKRYSA-N 2 2 244.382 2.794 20 0 BFADLP CCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246088489 987389516 /nfs/dbraw/zinc/38/95/16/987389516.db2.gz UWKRDUMSPMZXKR-XQQFMLRXSA-N 2 2 230.371 2.635 20 0 BFADLP CCCCCC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246093349 987403341 /nfs/dbraw/zinc/40/33/41/987403341.db2.gz UWKRDUMSPMZXKR-AGIUHOORSA-N 2 2 230.371 2.635 20 0 BFADLP CCCC[C@H](CCC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246099666 987421211 /nfs/dbraw/zinc/42/12/11/987421211.db2.gz VJSOYQZZMXQULK-AVGNSLFASA-N 2 2 230.371 2.635 20 0 BFADLP CCCC[C@@H](CCC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246114343 987454785 /nfs/dbraw/zinc/45/47/85/987454785.db2.gz VJSOYQZZMXQULK-UPJWGTAASA-N 2 2 230.371 2.635 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246144176 987502329 /nfs/dbraw/zinc/50/23/29/987502329.db2.gz SHLDFKSIBLCCNA-BVUBDWEXSA-N 2 2 244.382 2.868 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246170980 987532658 /nfs/dbraw/zinc/53/26/58/987532658.db2.gz PBVHHQNGDHCKAW-ZDUSSCGKSA-N 2 2 232.371 2.554 20 0 BFADLP CCCCc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC001246179200 987548269 /nfs/dbraw/zinc/54/82/69/987548269.db2.gz OVFASHIXMGNNTI-INIZCTEOSA-N 2 2 246.398 2.871 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[NH2+]1 ZINC001246274868 987668737 /nfs/dbraw/zinc/66/87/37/987668737.db2.gz WVUMYKOZXMXMFE-RCBQFDQVSA-N 2 2 244.382 2.868 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2C[NH2+][C@H](C)C2)c1 ZINC001246294704 987685742 /nfs/dbraw/zinc/68/57/42/987685742.db2.gz HMOFAXHAFUXQBA-NFAWXSAZSA-N 2 2 232.371 2.704 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+][C@@H](C[NH3+])c2ccccc2)C1 ZINC001246313806 987716770 /nfs/dbraw/zinc/71/67/70/987716770.db2.gz UCWFPWVSRDHBSD-QEJZJMRPSA-N 2 2 232.371 2.855 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246318279 987723620 /nfs/dbraw/zinc/72/36/20/987723620.db2.gz RYYRSIDFKYENLO-KBPBESRZSA-N 2 2 232.371 2.706 20 0 BFADLP c1cc2c(cccc2C[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC001246318949 987725761 /nfs/dbraw/zinc/72/57/61/987725761.db2.gz UPGDVQIZPHYIBH-GFCCVEGCSA-N 2 2 246.379 2.743 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccncc1 ZINC001246322487 987727249 /nfs/dbraw/zinc/72/72/49/987727249.db2.gz BAHGUYHKZAPHQX-YUELXQCFSA-N 2 2 247.386 2.653 20 0 BFADLP CCCCCC[C@H](C)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246335236 987743118 /nfs/dbraw/zinc/74/31/18/987743118.db2.gz HEYPWIOABLGFGO-QWHCGFSZSA-N 2 2 244.448 2.640 20 0 BFADLP CCCC[C@H](CCC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246337040 987746938 /nfs/dbraw/zinc/74/69/38/987746938.db2.gz QGEJPJXZZYOOMH-QWHCGFSZSA-N 2 2 244.448 2.640 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C)cc1C ZINC001246378556 987774646 /nfs/dbraw/zinc/77/46/46/987774646.db2.gz WWWVJXCOMLAUEQ-UKRRQHHQSA-N 2 2 232.371 2.706 20 0 BFADLP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246372876 987777377 /nfs/dbraw/zinc/77/73/77/987777377.db2.gz OKJYYBFNWAAFGD-ABAIWWIYSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246388894 987778829 /nfs/dbraw/zinc/77/88/29/987778829.db2.gz NLFYERURCPXKNA-HIFRSBDPSA-N 2 2 246.398 2.960 20 0 BFADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001118121224 988020492 /nfs/dbraw/zinc/02/04/92/988020492.db2.gz CHBQAKNUHPNWQZ-ZJUUUORDSA-N 2 2 242.313 2.613 20 0 BFADLP CC(C)CC(CC(C)C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246659151 988386199 /nfs/dbraw/zinc/38/61/99/988386199.db2.gz QXQJPHGVPOHSQL-DZGCQCFKSA-N 2 2 238.419 2.870 20 0 BFADLP CC(C)CC(CC(C)C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246659151 988386207 /nfs/dbraw/zinc/38/62/07/988386207.db2.gz QXQJPHGVPOHSQL-DZGCQCFKSA-N 2 2 238.419 2.870 20 0 BFADLP CCC[C@@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663423 988396039 /nfs/dbraw/zinc/39/60/39/988396039.db2.gz MRFWEKCUUBQDAM-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663423 988396048 /nfs/dbraw/zinc/39/60/48/988396048.db2.gz MRFWEKCUUBQDAM-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246847399 988560904 /nfs/dbraw/zinc/56/09/04/988560904.db2.gz RXNXVNVHIKYXRJ-AEGPPILISA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246847399 988560911 /nfs/dbraw/zinc/56/09/11/988560911.db2.gz RXNXVNVHIKYXRJ-AEGPPILISA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1C[NH2+][C@@H](C)C1 ZINC001246866529 988621548 /nfs/dbraw/zinc/62/15/48/988621548.db2.gz KSMSMWTYCUBJEJ-JGGQBBKZSA-N 2 2 244.382 2.746 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1C[NH2+][C@@H](C)C1 ZINC001246866529 988621568 /nfs/dbraw/zinc/62/15/68/988621568.db2.gz KSMSMWTYCUBJEJ-JGGQBBKZSA-N 2 2 244.382 2.746 20 0 BFADLP CC[C@H](C)[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246981719 988810533 /nfs/dbraw/zinc/81/05/33/988810533.db2.gz XODPVMRMGHYRRK-JSGCOSHPSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@H](C)[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246981719 988810540 /nfs/dbraw/zinc/81/05/40/988810540.db2.gz XODPVMRMGHYRRK-JSGCOSHPSA-N 2 2 224.392 2.782 20 0 BFADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cccc(F)c1F ZINC001326474452 989573300 /nfs/dbraw/zinc/57/33/00/989573300.db2.gz XQNSFVNNGNIXFW-UWVGGRQHSA-N 2 2 242.313 2.613 20 0 BFADLP CCC[N@@H+]1CC[C@H](CNc2ccc(CC)c[nH+]2)C1 ZINC001120806311 989891717 /nfs/dbraw/zinc/89/17/17/989891717.db2.gz YNJRDXUQKCCAQF-CQSZACIVSA-N 2 2 247.386 2.788 20 0 BFADLP CCC[N@H+]1CC[C@H](CNc2ccc(CC)c[nH+]2)C1 ZINC001120806311 989891721 /nfs/dbraw/zinc/89/17/21/989891721.db2.gz YNJRDXUQKCCAQF-CQSZACIVSA-N 2 2 247.386 2.788 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308292677 990957858 /nfs/dbraw/zinc/95/78/58/990957858.db2.gz LJMFRAHDGQNBDW-BYNSBNAKSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308292677 990957868 /nfs/dbraw/zinc/95/78/68/990957868.db2.gz LJMFRAHDGQNBDW-BYNSBNAKSA-N 2 2 236.403 2.639 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)[C@H]2CCC[C@@H]12 ZINC001308839019 991167777 /nfs/dbraw/zinc/16/77/77/991167777.db2.gz AEQIZJNCWGCEMF-RFBLXINOSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)[C@H]2CCC[C@@H]12 ZINC001308839019 991167781 /nfs/dbraw/zinc/16/77/81/991167781.db2.gz AEQIZJNCWGCEMF-RFBLXINOSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001474660035 991405285 /nfs/dbraw/zinc/40/52/85/991405285.db2.gz WOGDCILKLYFOOR-DRPJVOAASA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1CC[N@H+]1C1CCCC1 ZINC001474660035 991405293 /nfs/dbraw/zinc/40/52/93/991405293.db2.gz WOGDCILKLYFOOR-DRPJVOAASA-N 2 2 248.414 2.782 20 0 BFADLP CC[N@H+]([C@@H](C)CC1CC1)C1CC[NH+](C)CC1 ZINC001258461962 991419740 /nfs/dbraw/zinc/41/97/40/991419740.db2.gz GYQHWKUATHDSEK-LBPRGKRZSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@@H+]([C@@H](C)CC1CC1)C1CC[NH+](C)CC1 ZINC001258461962 991419744 /nfs/dbraw/zinc/41/97/44/991419744.db2.gz GYQHWKUATHDSEK-LBPRGKRZSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[N@H+]([C@H](C)CC1CC1)C1CC[NH+](C)CC1 ZINC001258469556 991433758 /nfs/dbraw/zinc/43/37/58/991433758.db2.gz FDXHCNJKFJKUDE-CYBMUJFWSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@@H+]([C@H](C)CC1CC1)C1CC[NH+](C)CC1 ZINC001258469556 991433769 /nfs/dbraw/zinc/43/37/69/991433769.db2.gz FDXHCNJKFJKUDE-CYBMUJFWSA-N 2 2 238.419 2.980 20 0 BFADLP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001474660038 991437060 /nfs/dbraw/zinc/43/70/60/991437060.db2.gz WOGDCILKLYFOOR-UKMLZYKCSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@H]1CC[N@H+]1C1CCCC1 ZINC001474660038 991437067 /nfs/dbraw/zinc/43/70/67/991437067.db2.gz WOGDCILKLYFOOR-UKMLZYKCSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258600474 991504166 /nfs/dbraw/zinc/50/41/66/991504166.db2.gz LAIYCKZWNYOVOP-LBPRGKRZSA-N 2 2 233.359 2.586 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CCC(C)(C)C1)C2 ZINC001258600474 991504179 /nfs/dbraw/zinc/50/41/79/991504179.db2.gz LAIYCKZWNYOVOP-LBPRGKRZSA-N 2 2 233.359 2.586 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000083427970 991671350 /nfs/dbraw/zinc/67/13/50/991671350.db2.gz ZTPMEODXDYWSPW-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000083427970 991671356 /nfs/dbraw/zinc/67/13/56/991671356.db2.gz ZTPMEODXDYWSPW-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258805906 991803154 /nfs/dbraw/zinc/80/31/54/991803154.db2.gz BRLULZSYBWGACR-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258805906 991803156 /nfs/dbraw/zinc/80/31/56/991803156.db2.gz BRLULZSYBWGACR-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC001258813929 991824482 /nfs/dbraw/zinc/82/44/82/991824482.db2.gz MGHIBFWRYILUOZ-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC001258813929 991824489 /nfs/dbraw/zinc/82/44/89/991824489.db2.gz MGHIBFWRYILUOZ-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](C)C1 ZINC001258824070 991845168 /nfs/dbraw/zinc/84/51/68/991845168.db2.gz QXUIEFYMFIRPFI-ZFWWWQNUSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@H](C)C1 ZINC001258824070 991845171 /nfs/dbraw/zinc/84/51/71/991845171.db2.gz QXUIEFYMFIRPFI-ZFWWWQNUSA-N 2 2 238.419 2.981 20 0 BFADLP Cc1cccc(N[C@@H]2CCCC[C@H]2[NH+](C)C)[nH+]1 ZINC001320359920 992181906 /nfs/dbraw/zinc/18/19/06/992181906.db2.gz XVPHXRNIKLQXBL-CHWSQXEVSA-N 2 2 233.359 2.675 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001262195035 992790664 /nfs/dbraw/zinc/79/06/64/992790664.db2.gz MDWJMPVQBXWROM-YDKYRJPGSA-N 2 2 230.355 2.511 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1/C=C\c1ccccc1 ZINC001262195035 992790681 /nfs/dbraw/zinc/79/06/81/992790681.db2.gz MDWJMPVQBXWROM-YDKYRJPGSA-N 2 2 230.355 2.511 20 0 BFADLP FC(F)CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001262206778 992802697 /nfs/dbraw/zinc/80/26/97/992802697.db2.gz LDTUEGSDMCLGKA-RYUDHWBXSA-N 2 2 246.345 2.638 20 0 BFADLP FC(F)CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001262206778 992802700 /nfs/dbraw/zinc/80/27/00/992802700.db2.gz LDTUEGSDMCLGKA-RYUDHWBXSA-N 2 2 246.345 2.638 20 0 BFADLP CC(C)[NH+]1CCC([NH+]2CCC(F)(F)CC2)CC1 ZINC000585380655 993260744 /nfs/dbraw/zinc/26/07/44/993260744.db2.gz RJBWFAAYJQRJSG-UHFFFAOYSA-N 2 2 246.345 2.590 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000381600616 993410269 /nfs/dbraw/zinc/41/02/69/993410269.db2.gz NDPRCOSFHLIUPU-SWLSCSKDSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000381600616 993410275 /nfs/dbraw/zinc/41/02/75/993410275.db2.gz NDPRCOSFHLIUPU-SWLSCSKDSA-N 2 2 232.371 2.561 20 0 BFADLP CC(C)Oc1ccc[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000382434707 993460270 /nfs/dbraw/zinc/46/02/70/993460270.db2.gz UQARAPMTORGRBX-VXGBXAGGSA-N 2 2 249.358 2.551 20 0 BFADLP CC/C=C\CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000588476027 993485617 /nfs/dbraw/zinc/48/56/17/993485617.db2.gz AAHKFSNSABYZJT-ARJAWSKDSA-N 2 2 233.359 2.876 20 0 BFADLP C[C@H]1C[C@@H]([NH+]2CCC3(CCCCC3)CC2)C[NH2+]1 ZINC000383823979 993520101 /nfs/dbraw/zinc/52/01/01/993520101.db2.gz RLKUSFHJJDFXHI-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1C[C@H]([NH+]2CCC3(CCCCC3)CC2)C[NH2+]1 ZINC000383823968 993523657 /nfs/dbraw/zinc/52/36/57/993523657.db2.gz RLKUSFHJJDFXHI-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000310027455 168315822 /nfs/dbraw/zinc/31/58/22/168315822.db2.gz QALRSKAWBOORCD-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000310027455 168315823 /nfs/dbraw/zinc/31/58/23/168315823.db2.gz QALRSKAWBOORCD-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CCC(CC)C[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000161044981 538913802 /nfs/dbraw/zinc/91/38/02/538913802.db2.gz IXIRAJMSHCHUDP-CQSZACIVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)C[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000161044981 538913803 /nfs/dbraw/zinc/91/38/03/538913803.db2.gz IXIRAJMSHCHUDP-CQSZACIVSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CC2 ZINC000149370275 192026365 /nfs/dbraw/zinc/02/63/65/192026365.db2.gz ACWSRTDPTVWHIE-MRXNPFEDSA-N 2 2 244.382 2.668 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000422942617 398159276 /nfs/dbraw/zinc/15/92/76/398159276.db2.gz JJTZSTZPAZTEPI-WFASDCNBSA-N 2 2 244.382 2.751 20 0 BFADLP CC[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000289235935 398180805 /nfs/dbraw/zinc/18/08/05/398180805.db2.gz KRBNNPSBQALYFG-GFCCVEGCSA-N 2 2 206.333 2.711 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423233209 398165219 /nfs/dbraw/zinc/16/52/19/398165219.db2.gz JNHINEGRMYALHX-XJKCOSOUSA-N 2 2 244.382 2.967 20 0 BFADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000414127509 398217058 /nfs/dbraw/zinc/21/70/58/398217058.db2.gz QAMFNPVVEJSUNF-OAHLLOKOSA-N 2 2 249.402 2.911 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000414110070 398217202 /nfs/dbraw/zinc/21/72/02/398217202.db2.gz LMKOZTXXHYRDLG-MIBAYGRRSA-N 2 2 236.403 2.636 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1C[C@H]1C ZINC000414110070 398217208 /nfs/dbraw/zinc/21/72/08/398217208.db2.gz LMKOZTXXHYRDLG-MIBAYGRRSA-N 2 2 236.403 2.636 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367690133 168353312 /nfs/dbraw/zinc/35/33/12/168353312.db2.gz XITDLJKQJHHOBR-HIFRSBDPSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367690133 168353313 /nfs/dbraw/zinc/35/33/13/168353313.db2.gz XITDLJKQJHHOBR-HIFRSBDPSA-N 2 2 238.419 2.981 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)oc1C ZINC000282199005 178221762 /nfs/dbraw/zinc/22/17/62/178221762.db2.gz NVEFWWKPGINSMD-LLVKDONJSA-N 2 2 236.359 2.641 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000037158384 178231416 /nfs/dbraw/zinc/23/14/16/178231416.db2.gz BDEPPFDOOZSTIG-CMPLNLGQSA-N 2 2 247.342 2.832 20 0 BFADLP Cc1cccc(CCNc2cccc(C)[nH+]2)[nH+]1 ZINC000280200056 538936866 /nfs/dbraw/zinc/93/68/66/538936866.db2.gz FZXMCBZABOLZKI-UHFFFAOYSA-N 2 2 227.311 2.748 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)o1 ZINC000037266994 178246069 /nfs/dbraw/zinc/24/60/69/178246069.db2.gz ASVDSFGBOYYAIU-NSHDSACASA-N 2 2 236.359 2.641 20 0 BFADLP Cc1ccc(CC[NH2+]C2(C[NH+](C)C)CCC2)cc1 ZINC000281349607 538938566 /nfs/dbraw/zinc/93/85/66/538938566.db2.gz KNMSTJJUKLZCIZ-UHFFFAOYSA-N 2 2 246.398 2.611 20 0 BFADLP C[C@H](C[NH2+]Cc1cscc1Cl)C[NH+](C)C ZINC000380138079 398244355 /nfs/dbraw/zinc/24/43/55/398244355.db2.gz UZOPMEPIXFFYMW-SECBINFHSA-N 2 2 246.807 2.689 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cs1 ZINC000381427120 398257422 /nfs/dbraw/zinc/25/74/22/398257422.db2.gz BTBKVMWBDAONOZ-AAEUAGOBSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cs1 ZINC000381427120 398257423 /nfs/dbraw/zinc/25/74/23/398257423.db2.gz BTBKVMWBDAONOZ-AAEUAGOBSA-N 2 2 238.400 2.801 20 0 BFADLP C[C@@H](Nc1cc(C2CC2)cc[nH+]1)c1[nH]cc[nH+]1 ZINC000290299858 538946717 /nfs/dbraw/zinc/94/67/17/538946717.db2.gz YQRNWIWKQCAIOA-SECBINFHSA-N 2 2 228.299 2.855 20 0 BFADLP CCC(CC)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000226813835 168388995 /nfs/dbraw/zinc/38/89/95/168388995.db2.gz XGNNJMTUZFIXQA-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000226813835 168388996 /nfs/dbraw/zinc/38/89/96/168388996.db2.gz XGNNJMTUZFIXQA-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC=C(C)CC1 ZINC000309641718 342771932 /nfs/dbraw/zinc/77/19/32/342771932.db2.gz KWMYRDUBDPYJOZ-UONOGXRCSA-N 2 2 222.376 2.559 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC=C(C)CC1 ZINC000309641718 342771933 /nfs/dbraw/zinc/77/19/33/342771933.db2.gz KWMYRDUBDPYJOZ-UONOGXRCSA-N 2 2 222.376 2.559 20 0 BFADLP CCC(CC)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037154048 168391882 /nfs/dbraw/zinc/39/18/82/168391882.db2.gz CTYKSDAYDDBWQF-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000040672313 538972645 /nfs/dbraw/zinc/97/26/45/538972645.db2.gz NLCBHKQBNLTACR-SMDDNHRTSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000040672313 538972647 /nfs/dbraw/zinc/97/26/47/538972647.db2.gz NLCBHKQBNLTACR-SMDDNHRTSA-N 2 2 236.334 2.571 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672126 538972724 /nfs/dbraw/zinc/97/27/24/538972724.db2.gz NNKLNBFYSPLRMK-KBPBESRZSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672126 538972725 /nfs/dbraw/zinc/97/27/25/538972725.db2.gz NNKLNBFYSPLRMK-KBPBESRZSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000040673005 538973115 /nfs/dbraw/zinc/97/31/15/538973115.db2.gz MXDQNWRGFRNHGV-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000040673005 538973116 /nfs/dbraw/zinc/97/31/16/538973116.db2.gz MXDQNWRGFRNHGV-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP CC[C@H](C[NH3+])Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000630052390 361921033 /nfs/dbraw/zinc/92/10/33/361921033.db2.gz IYHVZPXICXKDPL-LBPRGKRZSA-N 2 2 243.354 2.615 20 0 BFADLP Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1[nH+]ccn1C ZINC000630053510 361923918 /nfs/dbraw/zinc/92/39/18/361923918.db2.gz VALALBSBSBLBGB-AWEZNQCLSA-N 2 2 241.338 2.820 20 0 BFADLP CC(C)CC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000379732276 538979818 /nfs/dbraw/zinc/97/98/18/538979818.db2.gz XZCMDVHNDVXFCM-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000379732276 538979819 /nfs/dbraw/zinc/97/98/19/538979819.db2.gz XZCMDVHNDVXFCM-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC[NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000043534269 538981767 /nfs/dbraw/zinc/98/17/67/538981767.db2.gz OOVBOHWQNOSCLI-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H](CC[NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000043534269 538981769 /nfs/dbraw/zinc/98/17/69/538981769.db2.gz OOVBOHWQNOSCLI-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000390745968 539027367 /nfs/dbraw/zinc/02/73/67/539027367.db2.gz ACJUXBPNYDXXBJ-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000390745968 539027368 /nfs/dbraw/zinc/02/73/68/539027368.db2.gz ACJUXBPNYDXXBJ-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[NH+](CC(C)C)[C@H]1CC[C@H](C)[NH2+]C1 ZINC000062948763 539017670 /nfs/dbraw/zinc/01/76/70/539017670.db2.gz ZIHKSLLNWOUPHT-KBPBESRZSA-N 2 2 226.408 2.741 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000335645708 136244046 /nfs/dbraw/zinc/24/40/46/136244046.db2.gz ISOSGVQVNWVJPK-JTQLQIEISA-N 2 2 244.791 2.632 20 0 BFADLP CC(C)[C@H](C)[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000167452406 136246568 /nfs/dbraw/zinc/24/65/68/136246568.db2.gz SIPVJKHPNJMLNM-MCIONIFRSA-N 2 2 226.408 2.883 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC(C)(C)C2)c1 ZINC000313275717 259332522 /nfs/dbraw/zinc/33/25/22/259332522.db2.gz WREPJFGEZKBGJM-LBPRGKRZSA-N 2 2 235.375 2.521 20 0 BFADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)C1CCCC1 ZINC000313389480 259334285 /nfs/dbraw/zinc/33/42/85/259334285.db2.gz KCKOTKYEIJVTEH-AWEZNQCLSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000042255173 178475648 /nfs/dbraw/zinc/47/56/48/178475648.db2.gz MYHJERNMOPZTAK-CQSZACIVSA-N 2 2 243.354 2.678 20 0 BFADLP C[C@H](C[NH2+]CC(C)(C)[NH+](C)C)c1ccccc1 ZINC000020125964 342970443 /nfs/dbraw/zinc/97/04/43/342970443.db2.gz NMONRSNRJQRAJF-CYBMUJFWSA-N 2 2 234.387 2.720 20 0 BFADLP Cc1ccc[nH+]c1NCc1cccc2[nH+]ccn21 ZINC000354271936 187210333 /nfs/dbraw/zinc/21/03/33/187210333.db2.gz NHDDJCUABWSIJM-UHFFFAOYSA-N 2 2 238.294 2.650 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccco1 ZINC000019942972 342963977 /nfs/dbraw/zinc/96/39/77/342963977.db2.gz RCBFKGHQZKOAHI-GFCCVEGCSA-N 2 2 224.348 2.662 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC000019959580 342964585 /nfs/dbraw/zinc/96/45/85/342964585.db2.gz AXIBXDIDPLRSCR-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1 ZINC000019959580 342964586 /nfs/dbraw/zinc/96/45/86/342964586.db2.gz AXIBXDIDPLRSCR-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000019960369 342964601 /nfs/dbraw/zinc/96/46/01/342964601.db2.gz UIYZXEBWUAYLDP-JSGCOSHPSA-N 2 2 248.370 2.527 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000019960369 342964602 /nfs/dbraw/zinc/96/46/02/342964602.db2.gz UIYZXEBWUAYLDP-JSGCOSHPSA-N 2 2 248.370 2.527 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccs1 ZINC000019960047 342964629 /nfs/dbraw/zinc/96/46/29/342964629.db2.gz VBLGDESUJJAHBW-NWDGAFQWSA-N 2 2 238.400 2.883 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccs1 ZINC000019960047 342964630 /nfs/dbraw/zinc/96/46/30/342964630.db2.gz VBLGDESUJJAHBW-NWDGAFQWSA-N 2 2 238.400 2.883 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000019960150 342964657 /nfs/dbraw/zinc/96/46/57/342964657.db2.gz VVPZYHGITYRGSU-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc21 ZINC000019960150 342964659 /nfs/dbraw/zinc/96/46/59/342964659.db2.gz VVPZYHGITYRGSU-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000400490279 529650834 /nfs/dbraw/zinc/65/08/34/529650834.db2.gz ZBTRBRIAFULPIU-SDDRHHMPSA-N 2 2 238.400 2.929 20 0 BFADLP CC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000400490681 529666020 /nfs/dbraw/zinc/66/60/20/529666020.db2.gz ZBTRBRIAFULPIU-WOPDTQHZSA-N 2 2 238.400 2.929 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCCCCC1 ZINC000346452768 187232282 /nfs/dbraw/zinc/23/22/82/187232282.db2.gz GWIGFILMOKMCAI-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H](C[NH2+]C1CCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000049938010 136271828 /nfs/dbraw/zinc/27/18/28/136271828.db2.gz GUDMXSDFWLSECT-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H](C[NH2+]C1CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000049938010 136271829 /nfs/dbraw/zinc/27/18/29/136271829.db2.gz GUDMXSDFWLSECT-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1ccccc1 ZINC000232878638 136292604 /nfs/dbraw/zinc/29/26/04/136292604.db2.gz HOEDXCLJEXRGDB-CQSZACIVSA-N 2 2 232.371 2.554 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000035274936 343291636 /nfs/dbraw/zinc/29/16/36/343291636.db2.gz XGBHBGFHCTVDBE-CQSZACIVSA-N 2 2 243.354 2.678 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCC12CC2 ZINC000584064642 343312475 /nfs/dbraw/zinc/31/24/75/343312475.db2.gz JBMBJQBCMNGVFW-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC12CC2 ZINC000584064642 343312476 /nfs/dbraw/zinc/31/24/76/343312476.db2.gz JBMBJQBCMNGVFW-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP F[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000335632008 136300366 /nfs/dbraw/zinc/30/03/66/136300366.db2.gz RWESXJWEHBZITQ-CHWSQXEVSA-N 2 2 247.317 2.705 20 0 BFADLP C[N@H+](CC[NH2+]C1CCCC1)Cc1ccccc1 ZINC000037630806 343350369 /nfs/dbraw/zinc/35/03/69/343350369.db2.gz MJJYJVNHYAUWKA-UHFFFAOYSA-N 2 2 232.371 2.651 20 0 BFADLP C[N@@H+](CC[NH2+]C1CCCC1)Cc1ccccc1 ZINC000037630806 343350372 /nfs/dbraw/zinc/35/03/72/343350372.db2.gz MJJYJVNHYAUWKA-UHFFFAOYSA-N 2 2 232.371 2.651 20 0 BFADLP C[C@@H]([NH2+]c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000037774234 343354396 /nfs/dbraw/zinc/35/43/96/343354396.db2.gz WNSQRHKJIIMVJM-GFCCVEGCSA-N 2 2 248.370 2.837 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000349033467 136320565 /nfs/dbraw/zinc/32/05/65/136320565.db2.gz MXAAVRSTNFZTJY-BZUAXINKSA-N 2 2 248.414 2.901 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1C[C@@H]1CC=CCC1 ZINC000349033467 136320566 /nfs/dbraw/zinc/32/05/66/136320566.db2.gz MXAAVRSTNFZTJY-BZUAXINKSA-N 2 2 248.414 2.901 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349177983 136330589 /nfs/dbraw/zinc/33/05/89/136330589.db2.gz BBXWJNLTCYTFOC-UONOGXRCSA-N 2 2 249.402 2.892 20 0 BFADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349177983 136330590 /nfs/dbraw/zinc/33/05/90/136330590.db2.gz BBXWJNLTCYTFOC-UONOGXRCSA-N 2 2 249.402 2.892 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353247790 136363229 /nfs/dbraw/zinc/36/32/29/136363229.db2.gz KOABMYWTGOPZMJ-FRRDWIJNSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000353247790 136363230 /nfs/dbraw/zinc/36/32/30/136363230.db2.gz KOABMYWTGOPZMJ-FRRDWIJNSA-N 2 2 247.386 2.825 20 0 BFADLP CCCCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042545282 343442948 /nfs/dbraw/zinc/44/29/48/343442948.db2.gz CDJICRAKDPTLLQ-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCCCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042545282 343442950 /nfs/dbraw/zinc/44/29/50/343442950.db2.gz CDJICRAKDPTLLQ-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@H](CC[NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000043534218 343477380 /nfs/dbraw/zinc/47/73/80/343477380.db2.gz JHSGOXVAARBBFE-KGLIPLIRSA-N 2 2 234.387 2.720 20 0 BFADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1C[C@@H]1C ZINC000321731758 343528199 /nfs/dbraw/zinc/52/81/99/343528199.db2.gz XXGWZPITWHNWCC-MJBXVCDLSA-N 2 2 235.375 2.688 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1ccc(F)cc1 ZINC000580570881 365776321 /nfs/dbraw/zinc/77/63/21/365776321.db2.gz OXTVUOBLUCMUNQ-UHFFFAOYSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1ccc(F)cc1 ZINC000580570881 365776325 /nfs/dbraw/zinc/77/63/25/365776325.db2.gz OXTVUOBLUCMUNQ-UHFFFAOYSA-N 2 2 248.345 2.529 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000070975762 343579795 /nfs/dbraw/zinc/57/97/95/343579795.db2.gz DYKPFPUIQAPLMZ-MRXNPFEDSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000070975762 343579796 /nfs/dbraw/zinc/57/97/96/343579796.db2.gz DYKPFPUIQAPLMZ-MRXNPFEDSA-N 2 2 246.398 2.957 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434227 343734823 /nfs/dbraw/zinc/73/48/23/343734823.db2.gz KHFPVLKXCRSABZ-NEPJUHHUSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434227 343734825 /nfs/dbraw/zinc/73/48/25/343734825.db2.gz KHFPVLKXCRSABZ-NEPJUHHUSA-N 2 2 233.359 2.594 20 0 BFADLP CCC[C@@H](C)CCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434185 343734873 /nfs/dbraw/zinc/73/48/73/343734873.db2.gz HTJHTQVTMLJZTO-GFCCVEGCSA-N 2 2 235.375 2.984 20 0 BFADLP CCC[C@@H](C)CCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434185 343734875 /nfs/dbraw/zinc/73/48/75/343734875.db2.gz HTJHTQVTMLJZTO-GFCCVEGCSA-N 2 2 235.375 2.984 20 0 BFADLP C[C@@H]1CCC[C@H](C[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625434986 343735915 /nfs/dbraw/zinc/73/59/15/343735915.db2.gz CINWOROCYGLPJN-NEPJUHHUSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@@H]1CCC[C@H](C[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625434986 343735916 /nfs/dbraw/zinc/73/59/16/343735916.db2.gz CINWOROCYGLPJN-NEPJUHHUSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@@H](C[N@@H+]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000625437686 343740208 /nfs/dbraw/zinc/74/02/08/343740208.db2.gz OBBGEEGYJJHVSF-LBPRGKRZSA-N 2 2 241.338 2.572 20 0 BFADLP C[C@@H](C[N@H+]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000625437686 343740211 /nfs/dbraw/zinc/74/02/11/343740211.db2.gz OBBGEEGYJJHVSF-LBPRGKRZSA-N 2 2 241.338 2.572 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccco1 ZINC000054111165 187272238 /nfs/dbraw/zinc/27/22/38/187272238.db2.gz KNTDDRXVSJEKBI-CYBMUJFWSA-N 2 2 238.375 2.531 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccco1 ZINC000054111165 187272239 /nfs/dbraw/zinc/27/22/39/187272239.db2.gz KNTDDRXVSJEKBI-CYBMUJFWSA-N 2 2 238.375 2.531 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000235213059 187273626 /nfs/dbraw/zinc/27/36/26/187273626.db2.gz QXSPKFAVWOCXDU-ZWNOBZJWSA-N 2 2 238.762 2.743 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+]C1CCCCC1 ZINC000040433313 187354743 /nfs/dbraw/zinc/35/47/43/187354743.db2.gz ZVJJESWHVNFBIU-UHFFFAOYSA-N 2 2 224.392 2.785 20 0 BFADLP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779662 343904922 /nfs/dbraw/zinc/90/49/22/343904922.db2.gz HSCQSMIKKKZLHY-XUJVJEKNSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1ccccc1F)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779662 343904923 /nfs/dbraw/zinc/90/49/23/343904923.db2.gz HSCQSMIKKKZLHY-XUJVJEKNSA-N 2 2 248.345 2.700 20 0 BFADLP CC[C@H](C)C[NH2+]CCc1cc[nH+]cc1C ZINC000093111053 343962310 /nfs/dbraw/zinc/96/23/10/343962310.db2.gz QUQCAXQFOLWVGU-NSHDSACASA-N 2 2 206.333 2.568 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCCC12CC2 ZINC000573339728 344103016 /nfs/dbraw/zinc/10/30/16/344103016.db2.gz VSHPSQGKHVDCOH-AWEZNQCLSA-N 2 2 230.355 2.855 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100900 344539486 /nfs/dbraw/zinc/53/94/86/344539486.db2.gz UUQGKUUQITUMAM-OFQRWUPVSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100900 344539489 /nfs/dbraw/zinc/53/94/89/344539489.db2.gz UUQGKUUQITUMAM-OFQRWUPVSA-N 2 2 246.398 2.862 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000318950170 259380621 /nfs/dbraw/zinc/38/06/21/259380621.db2.gz CTXKFJUNFPQGQM-DOMZBBRYSA-N 2 2 232.371 2.508 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000359301384 187297529 /nfs/dbraw/zinc/29/75/29/187297529.db2.gz KMRJJYANCNDCOV-BMFZPTHFSA-N 2 2 246.398 2.923 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000359301384 187297530 /nfs/dbraw/zinc/29/75/30/187297530.db2.gz KMRJJYANCNDCOV-BMFZPTHFSA-N 2 2 246.398 2.923 20 0 BFADLP CC(C)C[N@H+](CC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000634992064 345179955 /nfs/dbraw/zinc/17/99/55/345179955.db2.gz BNVCNTFBAGMCOE-UHFFFAOYSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)C[N@@H+](CC12CC(C1)C[NH2+]2)C1CCCC1 ZINC000634992064 345179957 /nfs/dbraw/zinc/17/99/57/345179957.db2.gz BNVCNTFBAGMCOE-UHFFFAOYSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H](C)[C@H](C)[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992256 345180455 /nfs/dbraw/zinc/18/04/55/345180455.db2.gz JIMBCXUFGCLTEV-YKQCJFHZSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H](C)[C@H](C)[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992256 345180457 /nfs/dbraw/zinc/18/04/57/345180457.db2.gz JIMBCXUFGCLTEV-YKQCJFHZSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000635011939 345213610 /nfs/dbraw/zinc/21/36/10/345213610.db2.gz ILOMSHWJFXHPHM-CWSCBRNRSA-N 2 2 242.313 2.552 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+](CC3CCCC3)C2)[nH]1 ZINC000080958646 345455526 /nfs/dbraw/zinc/45/55/26/345455526.db2.gz QTCMMLIVIPZITR-ZDUSSCGKSA-N 2 2 233.359 2.779 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+](CC3CCCC3)C2)[nH]1 ZINC000080958646 345455527 /nfs/dbraw/zinc/45/55/27/345455527.db2.gz QTCMMLIVIPZITR-ZDUSSCGKSA-N 2 2 233.359 2.779 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000166376048 187303421 /nfs/dbraw/zinc/30/34/21/187303421.db2.gz HRUJSMPQXQBPSX-ZDUSSCGKSA-N 2 2 221.348 2.608 20 0 BFADLP CC1(C[NH2+]CCc2cn3ccccc3[nH+]2)CCC1 ZINC000434779407 537900380 /nfs/dbraw/zinc/90/03/80/537900380.db2.gz VKUACSQIHYCERV-UHFFFAOYSA-N 2 2 243.354 2.657 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1occc1C ZINC000091892824 345612375 /nfs/dbraw/zinc/61/23/75/345612375.db2.gz YBJCBWONGKYHEQ-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1occc1C ZINC000091892824 345612377 /nfs/dbraw/zinc/61/23/77/345612377.db2.gz YBJCBWONGKYHEQ-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1occc1C ZINC000091892824 345612379 /nfs/dbraw/zinc/61/23/79/345612379.db2.gz YBJCBWONGKYHEQ-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1occc1C ZINC000091892824 345612382 /nfs/dbraw/zinc/61/23/82/345612382.db2.gz YBJCBWONGKYHEQ-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H]1CCC1(C)C)[NH+](C)C ZINC000309316766 187308289 /nfs/dbraw/zinc/30/82/89/187308289.db2.gz PJILSHMWELVVAS-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000628210467 345811793 /nfs/dbraw/zinc/81/17/93/345811793.db2.gz YDGKRKMOFHDBPC-ZBFHGGJFSA-N 2 2 246.398 2.782 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000628210467 345811796 /nfs/dbraw/zinc/81/17/96/345811796.db2.gz YDGKRKMOFHDBPC-ZBFHGGJFSA-N 2 2 246.398 2.782 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628214074 345876346 /nfs/dbraw/zinc/87/63/46/345876346.db2.gz JMCYOZJQGNAXOV-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628214074 345876347 /nfs/dbraw/zinc/87/63/47/345876347.db2.gz JMCYOZJQGNAXOV-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000019992200 259386775 /nfs/dbraw/zinc/38/67/75/259386775.db2.gz UCBMZECCCFLLOG-KGLIPLIRSA-N 2 2 228.424 2.989 20 0 BFADLP CC(C)[N@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346189988 187362792 /nfs/dbraw/zinc/36/27/92/187362792.db2.gz VGYRNNULLKPGPG-UHFFFAOYSA-N 2 2 235.356 2.774 20 0 BFADLP CC(C)[N@@H+](C)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346189988 187362794 /nfs/dbraw/zinc/36/27/94/187362794.db2.gz VGYRNNULLKPGPG-UHFFFAOYSA-N 2 2 235.356 2.774 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000628233819 346192848 /nfs/dbraw/zinc/19/28/48/346192848.db2.gz WWMMWTOVHSQRQP-KGLIPLIRSA-N 2 2 234.387 2.638 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000302514308 187317636 /nfs/dbraw/zinc/31/76/36/187317636.db2.gz CQFYTAQPPGYCTJ-BBRMVZONSA-N 2 2 246.398 2.898 20 0 BFADLP C/C=C/C[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000626163837 346276099 /nfs/dbraw/zinc/27/60/99/346276099.db2.gz RGHVSDDLDGKXRS-RDFMZFSFSA-N 2 2 247.386 2.641 20 0 BFADLP C/C=C/C[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000626163837 346276101 /nfs/dbraw/zinc/27/61/01/346276101.db2.gz RGHVSDDLDGKXRS-RDFMZFSFSA-N 2 2 247.386 2.641 20 0 BFADLP C/C=C\C[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000626163838 346276408 /nfs/dbraw/zinc/27/64/08/346276408.db2.gz RGHVSDDLDGKXRS-VQTKUKTRSA-N 2 2 247.386 2.641 20 0 BFADLP C/C=C\C[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000626163838 346276410 /nfs/dbraw/zinc/27/64/10/346276410.db2.gz RGHVSDDLDGKXRS-VQTKUKTRSA-N 2 2 247.386 2.641 20 0 BFADLP C/C=C\C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000626164180 346276964 /nfs/dbraw/zinc/27/69/64/346276964.db2.gz YADAKQHBBDXURX-ABCZVMIZSA-N 2 2 247.386 2.870 20 0 BFADLP C/C=C\C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000626164180 346276967 /nfs/dbraw/zinc/27/69/67/346276967.db2.gz YADAKQHBBDXURX-ABCZVMIZSA-N 2 2 247.386 2.870 20 0 BFADLP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000042546136 179061428 /nfs/dbraw/zinc/06/14/28/179061428.db2.gz SBFYSPNNCARDHP-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000042546136 179061430 /nfs/dbraw/zinc/06/14/30/179061430.db2.gz SBFYSPNNCARDHP-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000042546142 179061724 /nfs/dbraw/zinc/06/17/24/179061724.db2.gz SBFYSPNNCARDHP-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000042546142 179061726 /nfs/dbraw/zinc/06/17/26/179061726.db2.gz SBFYSPNNCARDHP-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP C[N@H+](Cc1cc2ccccc2s1)[C@@H]1CC[NH2+]C1 ZINC000575045370 346419209 /nfs/dbraw/zinc/41/92/09/346419209.db2.gz BKCJXGQEBCFKTA-GFCCVEGCSA-N 2 2 246.379 2.695 20 0 BFADLP C[N@@H+](Cc1cc2ccccc2s1)[C@@H]1CC[NH2+]C1 ZINC000575045370 346419212 /nfs/dbraw/zinc/41/92/12/346419212.db2.gz BKCJXGQEBCFKTA-GFCCVEGCSA-N 2 2 246.379 2.695 20 0 BFADLP Cc1cccc(N(C)CC[NH+](C(C)C)C(C)C)[nH+]1 ZINC000354809174 179116254 /nfs/dbraw/zinc/11/62/54/179116254.db2.gz SDQMRAYXEMMOKG-UHFFFAOYSA-N 2 2 249.402 2.945 20 0 BFADLP Cc1cccc(N[C@@H](C[NH3+])C2CCCCC2)[nH+]1 ZINC000130874913 179153737 /nfs/dbraw/zinc/15/37/37/179153737.db2.gz RLKVPSYQYVVEEP-ZDUSSCGKSA-N 2 2 233.359 2.710 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC23CCCC3)C[N@@H+]1C1CC1 ZINC000189148633 347297966 /nfs/dbraw/zinc/29/79/66/347297966.db2.gz FBBKJIKNFACXKB-KCQAQPDRSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC23CCCC3)C[N@H+]1C1CC1 ZINC000189148633 347297967 /nfs/dbraw/zinc/29/79/67/347297967.db2.gz FBBKJIKNFACXKB-KCQAQPDRSA-N 2 2 248.414 2.924 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)CC(C)C ZINC000301010055 347327372 /nfs/dbraw/zinc/32/73/72/347327372.db2.gz YPNSCQYLZIBOSB-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)CC(C)C ZINC000301010055 347327374 /nfs/dbraw/zinc/32/73/74/347327374.db2.gz YPNSCQYLZIBOSB-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449486989 201941105 /nfs/dbraw/zinc/94/11/05/201941105.db2.gz VZKVJUXBCZHHRT-CABCVRRESA-N 2 2 232.371 2.958 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCC12CCC2)[N@H+](C)C1CC1 ZINC000394870728 323151773 /nfs/dbraw/zinc/15/17/73/323151773.db2.gz SDJMNKLRQJZEDG-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCC12CCC2)[N@@H+](C)C1CC1 ZINC000394870728 323151774 /nfs/dbraw/zinc/15/17/74/323151774.db2.gz SDJMNKLRQJZEDG-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1ccccc1C[N@H+](C)CC[NH2+]C(C)(C)C ZINC000042436103 179269166 /nfs/dbraw/zinc/26/91/66/179269166.db2.gz SYQCFGXMDXDCIF-UHFFFAOYSA-N 2 2 234.387 2.815 20 0 BFADLP Cc1ccccc1C[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000042436103 179269168 /nfs/dbraw/zinc/26/91/68/179269168.db2.gz SYQCFGXMDXDCIF-UHFFFAOYSA-N 2 2 234.387 2.815 20 0 BFADLP Cc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000062254674 179280927 /nfs/dbraw/zinc/28/09/27/179280927.db2.gz FWSGSMOIPIBINI-ZDUSSCGKSA-N 2 2 243.354 2.617 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272612763 179275875 /nfs/dbraw/zinc/27/58/75/179275875.db2.gz KQJNZKMWRWWKII-GOEBONIOSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000272612763 179275876 /nfs/dbraw/zinc/27/58/76/179275876.db2.gz KQJNZKMWRWWKII-GOEBONIOSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272612763 179275878 /nfs/dbraw/zinc/27/58/78/179275878.db2.gz KQJNZKMWRWWKII-GOEBONIOSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000272612763 179275879 /nfs/dbraw/zinc/27/58/79/179275879.db2.gz KQJNZKMWRWWKII-GOEBONIOSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272612761 179276390 /nfs/dbraw/zinc/27/63/90/179276390.db2.gz KQJNZKMWRWWKII-GDBMZVCRSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272612761 179276391 /nfs/dbraw/zinc/27/63/91/179276391.db2.gz KQJNZKMWRWWKII-GDBMZVCRSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272612761 179276392 /nfs/dbraw/zinc/27/63/92/179276392.db2.gz KQJNZKMWRWWKII-GDBMZVCRSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000272612761 179276395 /nfs/dbraw/zinc/27/63/95/179276395.db2.gz KQJNZKMWRWWKII-GDBMZVCRSA-N 2 2 244.382 2.521 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000577296682 365922045 /nfs/dbraw/zinc/92/20/45/365922045.db2.gz KJDJEJKGCCAMOJ-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020201711 259397899 /nfs/dbraw/zinc/39/78/99/259397899.db2.gz GTKSICMHMCTOIM-OLZOCXBDSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1ccccc1[C@@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000270848875 179318584 /nfs/dbraw/zinc/31/85/84/179318584.db2.gz PJFCUMQYQDFKFU-CQSZACIVSA-N 2 2 243.354 2.885 20 0 BFADLP Cc1ccccc1[C@@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000270848875 179318587 /nfs/dbraw/zinc/31/85/87/179318587.db2.gz PJFCUMQYQDFKFU-CQSZACIVSA-N 2 2 243.354 2.885 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020554268 259399801 /nfs/dbraw/zinc/39/98/01/259399801.db2.gz SYPSFKGJUAAMKH-KGLIPLIRSA-N 2 2 228.424 2.987 20 0 BFADLP Cc1cccn2c(C[NH2+]C3(C(C)C)CC3)c[nH+]c12 ZINC000339503155 179355024 /nfs/dbraw/zinc/35/50/24/179355024.db2.gz VAGIYTCAMDKZGM-UHFFFAOYSA-N 2 2 243.354 2.921 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C1CCCC1 ZINC000289312547 179476161 /nfs/dbraw/zinc/47/61/61/179476161.db2.gz SEXPFNNDCJUEGF-UHFFFAOYSA-N 2 2 218.344 2.855 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H](C)C1 ZINC000082857562 348850355 /nfs/dbraw/zinc/85/03/55/348850355.db2.gz SOAFNEBHEDILCS-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C ZINC000082857560 348850387 /nfs/dbraw/zinc/85/03/87/348850387.db2.gz QWTAULCUXHCVLO-JHJVBQTASA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000082859334 348854834 /nfs/dbraw/zinc/85/48/34/348854834.db2.gz AEFGFYIUIAPLRH-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000082859334 348854836 /nfs/dbraw/zinc/85/48/36/348854836.db2.gz AEFGFYIUIAPLRH-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000070683198 490232339 /nfs/dbraw/zinc/23/23/39/490232339.db2.gz WEKLAXFFFBILCY-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000070683198 490232342 /nfs/dbraw/zinc/23/23/42/490232342.db2.gz WEKLAXFFFBILCY-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C)C(C)(C)C)[NH+](C)C ZINC000131890175 191017896 /nfs/dbraw/zinc/01/78/96/191017896.db2.gz GOKIRHJAFLYNIL-QWHCGFSZSA-N 2 2 228.424 2.987 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CF)n1-c1ccccc1 ZINC000288531806 180154013 /nfs/dbraw/zinc/15/40/13/180154013.db2.gz VTWJPHHXIDFJPP-NSHDSACASA-N 2 2 247.317 2.628 20 0 BFADLP CC(C)C[C@@H](C[NH2+]CC(C)(C)C)[NH+](C)C ZINC000041051196 191063784 /nfs/dbraw/zinc/06/37/84/191063784.db2.gz BXGLNCFCFHBMIK-LBPRGKRZSA-N 2 2 214.397 2.598 20 0 BFADLP C[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000083390775 350194200 /nfs/dbraw/zinc/19/42/00/350194200.db2.gz MQNVKAGOGVTUDT-KBPBESRZSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C(C)C)n1-c1ccccc1 ZINC000092128633 180150362 /nfs/dbraw/zinc/15/03/62/180150362.db2.gz YGCPMNKSEWYVQF-UHFFFAOYSA-N 2 2 229.327 2.679 20 0 BFADLP Cc1[nH+]ccn1CCCCn1cc[nH+]c1C(C)C ZINC000120800724 180237756 /nfs/dbraw/zinc/23/77/56/180237756.db2.gz DKUNLRCEHNAXSJ-UHFFFAOYSA-N 2 2 246.358 2.992 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1C(C)C ZINC000346284883 180249121 /nfs/dbraw/zinc/24/91/21/180249121.db2.gz YPOSLXGGSKJNSM-CQSZACIVSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1C(C)C ZINC000346284883 180249123 /nfs/dbraw/zinc/24/91/23/180249123.db2.gz YPOSLXGGSKJNSM-CQSZACIVSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1C(C)C ZINC000346284881 180249132 /nfs/dbraw/zinc/24/91/32/180249132.db2.gz YPOSLXGGSKJNSM-AWEZNQCLSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1C(C)C ZINC000346284881 180249134 /nfs/dbraw/zinc/24/91/34/180249134.db2.gz YPOSLXGGSKJNSM-AWEZNQCLSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000361550908 180250033 /nfs/dbraw/zinc/25/00/33/180250033.db2.gz UDKAHSJDKWGDSH-AWEZNQCLSA-N 2 2 249.402 2.950 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000361550908 180250035 /nfs/dbraw/zinc/25/00/35/180250035.db2.gz UDKAHSJDKWGDSH-AWEZNQCLSA-N 2 2 249.402 2.950 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000346274036 180250432 /nfs/dbraw/zinc/25/04/32/180250432.db2.gz JEXQWXLGHNPRBN-HNNXBMFYSA-N 2 2 249.402 2.950 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000346274036 180250437 /nfs/dbraw/zinc/25/04/37/180250437.db2.gz JEXQWXLGHNPRBN-HNNXBMFYSA-N 2 2 249.402 2.950 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427858970 191095930 /nfs/dbraw/zinc/09/59/30/191095930.db2.gz VCZYWNWRLWZKGC-GXTWGEPZSA-N 2 2 247.386 2.756 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427885873 191100382 /nfs/dbraw/zinc/10/03/82/191100382.db2.gz NPPQKISADONYMA-CHWSQXEVSA-N 2 2 235.375 2.612 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000427872463 191098387 /nfs/dbraw/zinc/09/83/87/191098387.db2.gz DASSKWDOHOOKKI-RQJABVFESA-N 2 2 247.386 2.612 20 0 BFADLP CC(C)c1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000319861835 350390371 /nfs/dbraw/zinc/39/03/71/350390371.db2.gz ZRVDXLSJGPUENR-OKILXGFUSA-N 2 2 249.402 2.984 20 0 BFADLP CC(C)c1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000319861835 350390374 /nfs/dbraw/zinc/39/03/74/350390374.db2.gz ZRVDXLSJGPUENR-OKILXGFUSA-N 2 2 249.402 2.984 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427885876 191099854 /nfs/dbraw/zinc/09/98/54/191099854.db2.gz NPPQKISADONYMA-OLZOCXBDSA-N 2 2 235.375 2.612 20 0 BFADLP CCC1CCC([NH2+][C@H](C)Cn2cc[nH+]c2)CC1 ZINC000035275489 358456603 /nfs/dbraw/zinc/45/66/03/358456603.db2.gz QXCVDOAIEOMEJK-IYXRBSQSSA-N 2 2 235.375 2.830 20 0 BFADLP CCC(CC)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000133375085 191106477 /nfs/dbraw/zinc/10/64/77/191106477.db2.gz MINVBARZARHUBH-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP CCC(CC)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000133375085 191106478 /nfs/dbraw/zinc/10/64/78/191106478.db2.gz MINVBARZARHUBH-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2sccc2Cl)C1 ZINC000577507218 365973475 /nfs/dbraw/zinc/97/34/75/365973475.db2.gz SWDVDNWTXYZGHD-UHFFFAOYSA-N 2 2 244.791 2.584 20 0 BFADLP C[NH2+]CCC[N@H+](C)Cc1cc(Cl)ccc1F ZINC000163514936 350524408 /nfs/dbraw/zinc/52/44/08/350524408.db2.gz RDCHTFWGWCTBEL-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Cl)ccc1F ZINC000163514936 350524410 /nfs/dbraw/zinc/52/44/10/350524410.db2.gz RDCHTFWGWCTBEL-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccs1 ZINC000248534317 350861732 /nfs/dbraw/zinc/86/17/32/350861732.db2.gz VBLGDESUJJAHBW-NEPJUHHUSA-N 2 2 238.400 2.883 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccs1 ZINC000248534317 350861734 /nfs/dbraw/zinc/86/17/34/350861734.db2.gz VBLGDESUJJAHBW-NEPJUHHUSA-N 2 2 238.400 2.883 20 0 BFADLP CCc1cc[nH+]cc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000628325216 351251050 /nfs/dbraw/zinc/25/10/50/351251050.db2.gz CEXUQKYVYPLQTA-CYBMUJFWSA-N 2 2 247.386 2.929 20 0 BFADLP CCc1cc[nH+]cc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000628325216 351251052 /nfs/dbraw/zinc/25/10/52/351251052.db2.gz CEXUQKYVYPLQTA-CYBMUJFWSA-N 2 2 247.386 2.929 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]([C@H](C)C(C)C)C1CC1 ZINC000414671313 351578434 /nfs/dbraw/zinc/57/84/34/351578434.db2.gz NSEDCECLHOUZHL-OLZOCXBDSA-N 2 2 226.408 2.869 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]([C@H](C)C(C)C)C1CC1 ZINC000414671313 351578437 /nfs/dbraw/zinc/57/84/37/351578437.db2.gz NSEDCECLHOUZHL-OLZOCXBDSA-N 2 2 226.408 2.869 20 0 BFADLP FC1(F)CCC(CC[NH2+]Cc2c[nH+]c[nH]2)CC1 ZINC000725269170 538101297 /nfs/dbraw/zinc/10/12/97/538101297.db2.gz NFMVPKYYFQVKIF-UHFFFAOYSA-N 2 2 243.301 2.715 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000340110331 351904930 /nfs/dbraw/zinc/90/49/30/351904930.db2.gz XLWNSXZXDQLKIW-GXTWGEPZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000340110331 351904935 /nfs/dbraw/zinc/90/49/35/351904935.db2.gz XLWNSXZXDQLKIW-GXTWGEPZSA-N 2 2 238.419 2.743 20 0 BFADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCn2cc[nH+]c2)CC1 ZINC000638297548 352129963 /nfs/dbraw/zinc/12/99/63/352129963.db2.gz GSXHZTQUCYWYPA-HUUCEWRRSA-N 2 2 247.386 2.998 20 0 BFADLP Cc1ccc([C@H]([NH2+]CC[NH+](C)C)C2CC2)cc1 ZINC000037184074 358469549 /nfs/dbraw/zinc/46/95/49/358469549.db2.gz WAOYWJFSFYXBJE-HNNXBMFYSA-N 2 2 232.371 2.597 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000037202020 358470895 /nfs/dbraw/zinc/47/08/95/358470895.db2.gz YKHXVHUBHXRJIJ-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1c(C)oc2ccccc21 ZINC000414970038 352395700 /nfs/dbraw/zinc/39/57/00/352395700.db2.gz ZZHIVPSAKXIOPK-LLVKDONJSA-N 2 2 246.354 2.829 20 0 BFADLP CC(C)(C)C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000043596158 352640780 /nfs/dbraw/zinc/64/07/80/352640780.db2.gz NXIDGPADSRCUSE-CQSZACIVSA-N 2 2 232.371 2.509 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CCCC1)CCC2 ZINC000334253012 352889733 /nfs/dbraw/zinc/88/97/33/352889733.db2.gz LPDWOUKZGVPCNQ-LBPRGKRZSA-N 2 2 233.359 2.601 20 0 BFADLP C[C@@]1([NH2+]Cc2c[nH+]c[nH]2)CCCc2ccccc21 ZINC000334263336 352897145 /nfs/dbraw/zinc/89/71/45/352897145.db2.gz JRDBLRQQWYQROC-OAHLLOKOSA-N 2 2 241.338 2.751 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC1([NH+](C)C)CCC1 ZINC000300740981 188000648 /nfs/dbraw/zinc/00/06/48/188000648.db2.gz AWXLEDHOIBGPTH-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+]C(C1CCC1)C1CCC1 ZINC000302521839 188006048 /nfs/dbraw/zinc/00/60/48/188006048.db2.gz PDKZNVIUPSPVTC-UHFFFAOYSA-N 2 2 236.403 2.641 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000336679078 188010920 /nfs/dbraw/zinc/01/09/20/188010920.db2.gz QUISSGNUVRLOHQ-MELADBBJSA-N 2 2 228.424 2.987 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC12CCC2 ZINC000337384160 188014857 /nfs/dbraw/zinc/01/48/57/188014857.db2.gz GNJUBSODTDRANP-CQSZACIVSA-N 2 2 236.403 2.785 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCCCC[C@H]1C ZINC000083949156 538112428 /nfs/dbraw/zinc/11/24/28/538112428.db2.gz LYAOFXDZNCAEDA-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc(CCC[N@@H+](C)CC(C)C)c[nH+]1 ZINC000353379484 188234312 /nfs/dbraw/zinc/23/43/12/188234312.db2.gz JXBCVEGCJIVEKI-UHFFFAOYSA-N 2 2 220.360 2.910 20 0 BFADLP Cc1ccc(CCC[N@H+](C)CC(C)C)c[nH+]1 ZINC000353379484 188234314 /nfs/dbraw/zinc/23/43/14/188234314.db2.gz JXBCVEGCJIVEKI-UHFFFAOYSA-N 2 2 220.360 2.910 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000336774032 353423686 /nfs/dbraw/zinc/42/36/86/353423686.db2.gz ZJHUSMHPRQVXBE-YNEHKIRRSA-N 2 2 214.397 2.741 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC000037978651 358480463 /nfs/dbraw/zinc/48/04/63/358480463.db2.gz HZYRUXUISLFPFX-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC000037978651 358480466 /nfs/dbraw/zinc/48/04/66/358480466.db2.gz HZYRUXUISLFPFX-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)C1CCCCC1 ZINC000178221577 366106690 /nfs/dbraw/zinc/10/66/90/366106690.db2.gz GSEXUGUGYVYWSP-AWEZNQCLSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000232764530 353760977 /nfs/dbraw/zinc/76/09/77/353760977.db2.gz AOXPSIFGCAFQIT-WFASDCNBSA-N 2 2 232.371 2.589 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000232764530 353760979 /nfs/dbraw/zinc/76/09/79/353760979.db2.gz AOXPSIFGCAFQIT-WFASDCNBSA-N 2 2 232.371 2.589 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1C ZINC000220322325 353829201 /nfs/dbraw/zinc/82/92/01/353829201.db2.gz SZRONSPLMCFJSB-MRXNPFEDSA-N 2 2 246.398 2.796 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1C ZINC000220322325 353829205 /nfs/dbraw/zinc/82/92/05/353829205.db2.gz SZRONSPLMCFJSB-MRXNPFEDSA-N 2 2 246.398 2.796 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000343586051 353940401 /nfs/dbraw/zinc/94/04/01/353940401.db2.gz XYMCYHZNRNNJMM-QWHCGFSZSA-N 2 2 221.348 2.536 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000343586051 353940403 /nfs/dbraw/zinc/94/04/03/353940403.db2.gz XYMCYHZNRNNJMM-QWHCGFSZSA-N 2 2 221.348 2.536 20 0 BFADLP C[C@@H]1c2ccccc2C[N@@H+]1CCc1c[nH+]cn1C ZINC000334557534 354004098 /nfs/dbraw/zinc/00/40/98/354004098.db2.gz CZJXXNJNFVGCQO-GFCCVEGCSA-N 2 2 241.338 2.539 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344329478 354225605 /nfs/dbraw/zinc/22/56/05/354225605.db2.gz SEWCOGZXGZPRDI-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344329478 354225606 /nfs/dbraw/zinc/22/56/06/354225606.db2.gz SEWCOGZXGZPRDI-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP CCc1ccccc1C[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000344583700 354310998 /nfs/dbraw/zinc/31/09/98/354310998.db2.gz MVZYVEINJQPMQW-XJKSGUPXSA-N 2 2 246.398 2.679 20 0 BFADLP CCc1ccccc1C[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344583700 354311002 /nfs/dbraw/zinc/31/10/02/354311002.db2.gz MVZYVEINJQPMQW-XJKSGUPXSA-N 2 2 246.398 2.679 20 0 BFADLP CCc1ccccc1C[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000344583698 354311126 /nfs/dbraw/zinc/31/11/26/354311126.db2.gz MVZYVEINJQPMQW-CJNGLKHVSA-N 2 2 246.398 2.679 20 0 BFADLP CCc1ccccc1C[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000344583698 354311127 /nfs/dbraw/zinc/31/11/27/354311127.db2.gz MVZYVEINJQPMQW-CJNGLKHVSA-N 2 2 246.398 2.679 20 0 BFADLP CC(C)CC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000344765860 354356812 /nfs/dbraw/zinc/35/68/12/354356812.db2.gz AQAJCLWPVAWLPI-KGLIPLIRSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)CC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000344765860 354356814 /nfs/dbraw/zinc/35/68/14/354356814.db2.gz AQAJCLWPVAWLPI-KGLIPLIRSA-N 2 2 238.419 2.743 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623634680 366200066 /nfs/dbraw/zinc/20/00/66/366200066.db2.gz RPMDWOWTQCQQQX-KFWWJZLASA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623634680 366200071 /nfs/dbraw/zinc/20/00/71/366200071.db2.gz RPMDWOWTQCQQQX-KFWWJZLASA-N 2 2 236.403 2.663 20 0 BFADLP CC[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000623634572 366201975 /nfs/dbraw/zinc/20/19/75/366201975.db2.gz LVYNJPVQSUSXCS-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000623634572 366201980 /nfs/dbraw/zinc/20/19/80/366201980.db2.gz LVYNJPVQSUSXCS-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP CCC1CCC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334648203 354439490 /nfs/dbraw/zinc/43/94/90/354439490.db2.gz RTQPXCYKMBYLMP-BPCQOVAHSA-N 2 2 247.386 2.825 20 0 BFADLP CCC1CCC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000334648203 354439493 /nfs/dbraw/zinc/43/94/93/354439493.db2.gz RTQPXCYKMBYLMP-BPCQOVAHSA-N 2 2 247.386 2.825 20 0 BFADLP CCC1CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000334648211 354439553 /nfs/dbraw/zinc/43/95/53/354439553.db2.gz RTQPXCYKMBYLMP-WXRRBKDZSA-N 2 2 247.386 2.825 20 0 BFADLP CCC1CCC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000334648211 354439556 /nfs/dbraw/zinc/43/95/56/354439556.db2.gz RTQPXCYKMBYLMP-WXRRBKDZSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC000335101349 354711698 /nfs/dbraw/zinc/71/16/98/354711698.db2.gz VDKUXVCLHLFXHH-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC000335101349 354711702 /nfs/dbraw/zinc/71/17/02/354711702.db2.gz VDKUXVCLHLFXHH-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP CC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)CC1 ZINC000346271527 354886434 /nfs/dbraw/zinc/88/64/34/354886434.db2.gz DVIMPNBSLRIWEY-CQSZACIVSA-N 2 2 235.375 2.704 20 0 BFADLP CC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)CC1 ZINC000346271527 354886438 /nfs/dbraw/zinc/88/64/38/354886438.db2.gz DVIMPNBSLRIWEY-CQSZACIVSA-N 2 2 235.375 2.704 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000346449175 354944429 /nfs/dbraw/zinc/94/44/29/354944429.db2.gz UQXHCAXHDDEIGA-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000346449175 354944432 /nfs/dbraw/zinc/94/44/32/354944432.db2.gz UQXHCAXHDDEIGA-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000346616169 354994237 /nfs/dbraw/zinc/99/42/37/354994237.db2.gz ORPREYXPQKRYOH-LALPHHSUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000346616169 354994240 /nfs/dbraw/zinc/99/42/40/354994240.db2.gz ORPREYXPQKRYOH-LALPHHSUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000335200391 355033857 /nfs/dbraw/zinc/03/38/57/355033857.db2.gz YSUGWDNTGLJTAH-TZMCWYRMSA-N 2 2 241.338 2.549 20 0 BFADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1C=CCCC1)CC2 ZINC000335186345 355084721 /nfs/dbraw/zinc/08/47/21/355084721.db2.gz ZJFMVBDWUBITRJ-AWEZNQCLSA-N 2 2 234.387 2.655 20 0 BFADLP C[N@H+]1CCCC12CC[NH+]([C@H]1C=CCCC1)CC2 ZINC000335186345 355084725 /nfs/dbraw/zinc/08/47/25/355084725.db2.gz ZJFMVBDWUBITRJ-AWEZNQCLSA-N 2 2 234.387 2.655 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000346794911 355107352 /nfs/dbraw/zinc/10/73/52/355107352.db2.gz MJYPZDDSHZTSFY-XDQVBPFNSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000346794911 355107355 /nfs/dbraw/zinc/10/73/55/355107355.db2.gz MJYPZDDSHZTSFY-XDQVBPFNSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000346794908 355107494 /nfs/dbraw/zinc/10/74/94/355107494.db2.gz MJYPZDDSHZTSFY-AIEDFZFUSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000346794908 355107497 /nfs/dbraw/zinc/10/74/97/355107497.db2.gz MJYPZDDSHZTSFY-AIEDFZFUSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346807106 355110233 /nfs/dbraw/zinc/11/02/33/355110233.db2.gz LRYHRKCEIOYACI-YDHLFZDLSA-N 2 2 247.386 2.523 20 0 BFADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346807106 355110237 /nfs/dbraw/zinc/11/02/37/355110237.db2.gz LRYHRKCEIOYACI-YDHLFZDLSA-N 2 2 247.386 2.523 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccccc32)CCC[N@@H+]1C ZINC000346784429 355115873 /nfs/dbraw/zinc/11/58/73/355115873.db2.gz BHWDKFRAYMGVLB-UHOFOFEASA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3ccccc32)CCC[N@H+]1C ZINC000346784429 355115877 /nfs/dbraw/zinc/11/58/77/355115877.db2.gz BHWDKFRAYMGVLB-UHOFOFEASA-N 2 2 244.382 2.746 20 0 BFADLP CC(C)C[N@H+](CCc1ccccc1)CC(C)(C)[NH3+] ZINC000346825678 355126873 /nfs/dbraw/zinc/12/68/73/355126873.db2.gz GONFBPQFWPBDTQ-UHFFFAOYSA-N 2 2 248.414 2.924 20 0 BFADLP CC(C)C[N@@H+](CCc1ccccc1)CC(C)(C)[NH3+] ZINC000346825678 355126876 /nfs/dbraw/zinc/12/68/76/355126876.db2.gz GONFBPQFWPBDTQ-UHFFFAOYSA-N 2 2 248.414 2.924 20 0 BFADLP CC(C)([NH3+])C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000346838076 355132333 /nfs/dbraw/zinc/13/23/33/355132333.db2.gz QELAHTSZUQFNGJ-UHFFFAOYSA-N 2 2 236.334 2.527 20 0 BFADLP CC(C)([NH3+])C[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000346838076 355132335 /nfs/dbraw/zinc/13/23/35/355132335.db2.gz QELAHTSZUQFNGJ-UHFFFAOYSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@@]1([NH2+]Cc2cccc3[nH+]ccn32)CC=CCC1 ZINC000335243086 355179232 /nfs/dbraw/zinc/17/92/32/355179232.db2.gz ZTPXWFSUNOARIR-OAHLLOKOSA-N 2 2 241.338 2.923 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000414709338 191553269 /nfs/dbraw/zinc/55/32/69/191553269.db2.gz QXJJUCDWBXXNIO-CZUORRHYSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000414709338 191553272 /nfs/dbraw/zinc/55/32/72/191553272.db2.gz QXJJUCDWBXXNIO-CZUORRHYSA-N 2 2 246.398 2.807 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCC[C@H](C)C1 ZINC000449765840 202026281 /nfs/dbraw/zinc/02/62/81/202026281.db2.gz KYLKNQYBAWQORC-SDDRHHMPSA-N 2 2 221.348 2.714 20 0 BFADLP CC(C)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000250727930 535290510 /nfs/dbraw/zinc/29/05/10/535290510.db2.gz IAHFWEHCXZTXHP-HIFRSBDPSA-N 2 2 232.371 2.820 20 0 BFADLP CC(C)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000250727930 535290516 /nfs/dbraw/zinc/29/05/16/535290516.db2.gz IAHFWEHCXZTXHP-HIFRSBDPSA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767596 358499565 /nfs/dbraw/zinc/49/95/65/358499565.db2.gz NSNFEKSUUSDEGC-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)CC1(C)C ZINC000628372445 356108977 /nfs/dbraw/zinc/10/89/77/356108977.db2.gz YIMHUSCGXPBYOU-GFCCVEGCSA-N 2 2 247.386 2.807 20 0 BFADLP C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)CC1(C)C ZINC000628372445 356108980 /nfs/dbraw/zinc/10/89/80/356108980.db2.gz YIMHUSCGXPBYOU-GFCCVEGCSA-N 2 2 247.386 2.807 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000123401161 192019050 /nfs/dbraw/zinc/01/90/50/192019050.db2.gz WPFGTPCTFFQSPW-MRXNPFEDSA-N 2 2 246.398 2.808 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])cc1 ZINC000123401161 192019052 /nfs/dbraw/zinc/01/90/52/192019052.db2.gz WPFGTPCTFFQSPW-MRXNPFEDSA-N 2 2 246.398 2.808 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000192391199 356183635 /nfs/dbraw/zinc/18/36/35/356183635.db2.gz LYGSLPKUHSCTQQ-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000192391199 356183637 /nfs/dbraw/zinc/18/36/37/356183637.db2.gz LYGSLPKUHSCTQQ-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1cc(C)c(C[NH+]2CCSCC2)c(C)[nH+]1 ZINC000639453807 356238278 /nfs/dbraw/zinc/23/82/78/356238278.db2.gz SCJDCQFRESYEIR-UHFFFAOYSA-N 2 2 236.384 2.556 20 0 BFADLP Cc1cc(C)c(C[N@H+](C)C[C@H]2CCCO2)c(C)[nH+]1 ZINC000639455058 356239767 /nfs/dbraw/zinc/23/97/67/356239767.db2.gz WXUKYVOPMDQTLJ-CQSZACIVSA-N 2 2 248.370 2.618 20 0 BFADLP Cc1cc(C)c(C[N@@H+](C)C[C@H]2CCCO2)c(C)[nH+]1 ZINC000639455058 356239769 /nfs/dbraw/zinc/23/97/69/356239769.db2.gz WXUKYVOPMDQTLJ-CQSZACIVSA-N 2 2 248.370 2.618 20 0 BFADLP Cc1cc(C)c(C[N@H+](C)C[C@@H]2CCCO2)c(C)[nH+]1 ZINC000639455057 356239796 /nfs/dbraw/zinc/23/97/96/356239796.db2.gz WXUKYVOPMDQTLJ-AWEZNQCLSA-N 2 2 248.370 2.618 20 0 BFADLP Cc1cc(C)c(C[N@@H+](C)C[C@@H]2CCCO2)c(C)[nH+]1 ZINC000639455057 356239800 /nfs/dbraw/zinc/23/98/00/356239800.db2.gz WXUKYVOPMDQTLJ-AWEZNQCLSA-N 2 2 248.370 2.618 20 0 BFADLP C[C@H](CCC[NH3+])Nc1[nH+]ccc2ccc(F)cc21 ZINC000420258274 192189266 /nfs/dbraw/zinc/18/92/66/192189266.db2.gz FXZNRBOEFCAVKX-SNVBAGLBSA-N 2 2 247.317 2.913 20 0 BFADLP CCc1oc2ccccc2c1C[N@H+](C)C[C@H](C)[NH3+] ZINC000420295465 192204034 /nfs/dbraw/zinc/20/40/34/192204034.db2.gz AKVJLCMQDGHOMY-NSHDSACASA-N 2 2 246.354 2.774 20 0 BFADLP CCc1oc2ccccc2c1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000420295465 192204036 /nfs/dbraw/zinc/20/40/36/192204036.db2.gz AKVJLCMQDGHOMY-NSHDSACASA-N 2 2 246.354 2.774 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420355679 192218947 /nfs/dbraw/zinc/21/89/47/192218947.db2.gz CEZYWWZQCMQPOS-IJEWVQPXSA-N 2 2 246.398 2.780 20 0 BFADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420350007 192217911 /nfs/dbraw/zinc/21/79/11/192217911.db2.gz FNJWUEWHSZNNRO-KWBADKCTSA-N 2 2 238.762 2.823 20 0 BFADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420350007 192217913 /nfs/dbraw/zinc/21/79/13/192217913.db2.gz FNJWUEWHSZNNRO-KWBADKCTSA-N 2 2 238.762 2.823 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000395647104 356364734 /nfs/dbraw/zinc/36/47/34/356364734.db2.gz ICOKTHAAXREJRQ-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000395647104 356364737 /nfs/dbraw/zinc/36/47/37/356364737.db2.gz ICOKTHAAXREJRQ-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+](C[C@H](C)[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000420316572 192212077 /nfs/dbraw/zinc/21/20/77/192212077.db2.gz MNXIXIPPPJKBOZ-XJKSGUPXSA-N 2 2 246.398 2.603 20 0 BFADLP CCC[N@@H+](C[C@H](C)[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000420316572 192212079 /nfs/dbraw/zinc/21/20/79/192212079.db2.gz MNXIXIPPPJKBOZ-XJKSGUPXSA-N 2 2 246.398 2.603 20 0 BFADLP CC(C)[N@@H+](Cc1cccc(Cl)c1)C[C@@H](C)[NH3+] ZINC000420317677 192212120 /nfs/dbraw/zinc/21/21/20/192212120.db2.gz NSMKWBJHNCMKAA-LLVKDONJSA-N 2 2 240.778 2.898 20 0 BFADLP CC(C)[N@H+](Cc1cccc(Cl)c1)C[C@@H](C)[NH3+] ZINC000420317677 192212122 /nfs/dbraw/zinc/21/21/22/192212122.db2.gz NSMKWBJHNCMKAA-LLVKDONJSA-N 2 2 240.778 2.898 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420357415 192220230 /nfs/dbraw/zinc/22/02/30/192220230.db2.gz DKCPRIBXBBFWQH-OFQRWUPVSA-N 2 2 246.398 2.780 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420357414 192220619 /nfs/dbraw/zinc/22/06/19/192220619.db2.gz DKCPRIBXBBFWQH-IJEWVQPXSA-N 2 2 246.398 2.780 20 0 BFADLP CC[C@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179696773 366287491 /nfs/dbraw/zinc/28/74/91/366287491.db2.gz WMPJDKZGUQADGV-NSHDSACASA-N 2 2 217.316 2.565 20 0 BFADLP CC[C@H](C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179696773 366287496 /nfs/dbraw/zinc/28/74/96/366287496.db2.gz WMPJDKZGUQADGV-NSHDSACASA-N 2 2 217.316 2.565 20 0 BFADLP Cc1cc(C)c(C[N@H+]2C[C@@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000639655108 356561025 /nfs/dbraw/zinc/56/10/25/356561025.db2.gz JBQGALKCSTVBGM-MFKMUULPSA-N 2 2 218.344 2.847 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000639655108 356561028 /nfs/dbraw/zinc/56/10/28/356561028.db2.gz JBQGALKCSTVBGM-MFKMUULPSA-N 2 2 218.344 2.847 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000130167399 325020151 /nfs/dbraw/zinc/02/01/51/325020151.db2.gz UKGCIJPAOZGRHU-AVGNSLFASA-N 2 2 226.408 2.741 20 0 BFADLP Cc1c[nH+]ccc1CC[N@@H+](C)Cc1ccns1 ZINC000639808630 356778363 /nfs/dbraw/zinc/77/83/63/356778363.db2.gz NMWJVLYHTGGRAS-UHFFFAOYSA-N 2 2 247.367 2.521 20 0 BFADLP Cc1c[nH+]ccc1CC[N@H+](C)Cc1ccns1 ZINC000639808630 356778367 /nfs/dbraw/zinc/77/83/67/356778367.db2.gz NMWJVLYHTGGRAS-UHFFFAOYSA-N 2 2 247.367 2.521 20 0 BFADLP C[C@@H](CC1CCC1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000167360731 538677074 /nfs/dbraw/zinc/67/70/74/538677074.db2.gz XMPQEQCURMZFDE-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CC1CCC1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000167360731 538677080 /nfs/dbraw/zinc/67/70/80/538677080.db2.gz XMPQEQCURMZFDE-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1C ZINC000423180518 192611616 /nfs/dbraw/zinc/61/16/16/192611616.db2.gz FBNJOXIGQYQVBQ-HIFRSBDPSA-N 2 2 232.371 2.706 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000389578953 356994460 /nfs/dbraw/zinc/99/44/60/356994460.db2.gz XQQFDPNOQGSGTM-HEHGZKQESA-N 2 2 244.382 2.919 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000389578953 356994461 /nfs/dbraw/zinc/99/44/61/356994461.db2.gz XQQFDPNOQGSGTM-HEHGZKQESA-N 2 2 244.382 2.919 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1 ZINC000423224914 192636386 /nfs/dbraw/zinc/63/63/86/192636386.db2.gz KMDUAXSMUWJNLC-SECBINFHSA-N 2 2 246.276 2.575 20 0 BFADLP CC(C)c1nc([C@H](C)[NH2+]CC[C@H](C)[NH3+])cs1 ZINC000423226600 192637490 /nfs/dbraw/zinc/63/74/90/192637490.db2.gz RKMATNFJBNBOON-UWVGGRQHSA-N 2 2 241.404 2.654 20 0 BFADLP CCc1ccc([C@H](CC)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423210201 192628689 /nfs/dbraw/zinc/62/86/89/192628689.db2.gz WGXBDOULMQKHCD-GJZGRUSLSA-N 2 2 232.371 2.652 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000423209995 192628832 /nfs/dbraw/zinc/62/88/32/192628832.db2.gz GNTSGPPNYSRIRR-VXGBXAGGSA-N 2 2 224.373 2.541 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000131031987 325109703 /nfs/dbraw/zinc/10/97/03/325109703.db2.gz LCCJDVWIHBBHJI-STQMWFEESA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000131031987 325109705 /nfs/dbraw/zinc/10/97/05/325109705.db2.gz LCCJDVWIHBBHJI-STQMWFEESA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C(C)(C)C ZINC000390525970 357100405 /nfs/dbraw/zinc/10/04/05/357100405.db2.gz GVBGBUJQPMKYEQ-LBPRGKRZSA-N 2 2 223.364 2.688 20 0 BFADLP CC(C)CC[C@H]([NH2+][C@H](C)C[NH+](C)C)C1CC1 ZINC000304269044 357161457 /nfs/dbraw/zinc/16/14/57/357161457.db2.gz CELACRIKLMSDDA-OCCSQVGLSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@]1(C(C)C)C[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000582497660 357327215 /nfs/dbraw/zinc/32/72/15/357327215.db2.gz AICRWVKHQIPQKM-KGLIPLIRSA-N 2 2 235.375 2.643 20 0 BFADLP Cc1ccc(C[N@@H+](C)CCc2cc[nH+]cc2C)o1 ZINC000582662921 357356706 /nfs/dbraw/zinc/35/67/06/357356706.db2.gz GOVPCNWXMLXMHR-UHFFFAOYSA-N 2 2 244.338 2.966 20 0 BFADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccoc1 ZINC000582958517 357438367 /nfs/dbraw/zinc/43/83/67/357438367.db2.gz RPVZKKGGUWLOED-BXUZGUMPSA-N 2 2 236.359 2.838 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2CCCC23CCC3)c[nH+]1 ZINC000394802056 357379655 /nfs/dbraw/zinc/37/96/55/357379655.db2.gz UMGRTEWFWJZAAJ-CQSZACIVSA-N 2 2 247.386 2.976 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000583155223 357497853 /nfs/dbraw/zinc/49/78/53/357497853.db2.gz SLZFBNJQWVBKSA-ZQDZILKHSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000230394445 357533192 /nfs/dbraw/zinc/53/31/92/357533192.db2.gz JDZCZOODYLMKAZ-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCC(C)(C)C1)C1CC1 ZINC000230394445 357533195 /nfs/dbraw/zinc/53/31/95/357533195.db2.gz JDZCZOODYLMKAZ-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC/C=C\CC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000588475804 538852271 /nfs/dbraw/zinc/85/22/71/538852271.db2.gz AOLUMRJULJIDNB-JZIMQPMSSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C\CC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000588475804 538852277 /nfs/dbraw/zinc/85/22/77/538852277.db2.gz AOLUMRJULJIDNB-JZIMQPMSSA-N 2 2 236.403 2.903 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCC12CCCC2)C1CC1 ZINC000189105150 357615208 /nfs/dbraw/zinc/61/52/08/357615208.db2.gz GMXPLHJGQLAQNB-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCC12CCCC2)C1CC1 ZINC000189105150 357615212 /nfs/dbraw/zinc/61/52/12/357615212.db2.gz GMXPLHJGQLAQNB-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000232630639 357669478 /nfs/dbraw/zinc/66/94/78/357669478.db2.gz FTBSLXLYRMTKBZ-DZGCQCFKSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[N@H+](C)C(C)C)C1 ZINC000232630639 357669480 /nfs/dbraw/zinc/66/94/80/357669480.db2.gz FTBSLXLYRMTKBZ-DZGCQCFKSA-N 2 2 238.419 2.909 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000233429810 357723510 /nfs/dbraw/zinc/72/35/10/357723510.db2.gz XBFZHCMVBVDUDA-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[C@H](C[NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000232750613 357680605 /nfs/dbraw/zinc/68/06/05/357680605.db2.gz TYACJYFFJKPZBK-ZBFHGGJFSA-N 2 2 248.414 2.966 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000167330413 535363852 /nfs/dbraw/zinc/36/38/52/535363852.db2.gz ZNCDLXPLVWSUCW-CHWSQXEVSA-N 2 2 212.381 2.661 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000235501217 357873136 /nfs/dbraw/zinc/87/31/36/357873136.db2.gz WIZUZYMUHQKRPI-XQQFMLRXSA-N 2 2 235.375 2.686 20 0 BFADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000235574971 357880191 /nfs/dbraw/zinc/88/01/91/357880191.db2.gz BBAPTYKXBVACCK-QWHCGFSZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000235587562 357880954 /nfs/dbraw/zinc/88/09/54/357880954.db2.gz BBAPTYKXBVACCK-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CCC(F)(F)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000628435249 357997608 /nfs/dbraw/zinc/99/76/08/357997608.db2.gz DJCQVFSZWUYJJO-UHFFFAOYSA-N 2 2 242.313 2.958 20 0 BFADLP CC[C@@H](C[NH2+]CC[N@H+](C)CC)c1ccccc1 ZINC000218096222 134251641 /nfs/dbraw/zinc/25/16/41/134251641.db2.gz AFDSXYUMESDRLC-AWEZNQCLSA-N 2 2 234.387 2.722 20 0 BFADLP CC[C@@H](C[NH2+]CC[N@@H+](C)CC)c1ccccc1 ZINC000218096222 134251642 /nfs/dbraw/zinc/25/16/42/134251642.db2.gz AFDSXYUMESDRLC-AWEZNQCLSA-N 2 2 234.387 2.722 20 0 BFADLP CCC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000179520424 535410515 /nfs/dbraw/zinc/41/05/15/535410515.db2.gz JWAINEVSNVDHOC-CYBMUJFWSA-N 2 2 221.348 2.538 20 0 BFADLP CCC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000179520424 535410519 /nfs/dbraw/zinc/41/05/19/535410519.db2.gz JWAINEVSNVDHOC-CYBMUJFWSA-N 2 2 221.348 2.538 20 0 BFADLP CC(C)C[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094571 358400171 /nfs/dbraw/zinc/40/01/71/358400171.db2.gz ILLWNQOFKXLSFY-ZDUSSCGKSA-N 2 2 223.364 2.688 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C ZINC000042209292 358519919 /nfs/dbraw/zinc/51/99/19/358519919.db2.gz JKKHZZDKJXSAEQ-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(C)ccc1C ZINC000042209292 358519924 /nfs/dbraw/zinc/51/99/24/358519924.db2.gz JKKHZZDKJXSAEQ-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044687909 358551806 /nfs/dbraw/zinc/55/18/06/358551806.db2.gz MAUIHPWQXZLTTN-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044687909 358551808 /nfs/dbraw/zinc/55/18/08/358551808.db2.gz MAUIHPWQXZLTTN-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000044684981 358552371 /nfs/dbraw/zinc/55/23/71/358552371.db2.gz NYBQEJNBYCIVAV-RISCZKNCSA-N 2 2 248.345 2.713 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000044684981 358552374 /nfs/dbraw/zinc/55/23/74/358552374.db2.gz NYBQEJNBYCIVAV-RISCZKNCSA-N 2 2 248.345 2.713 20 0 BFADLP C[NH+]1CCC([NH2+][C@H]2CSc3ccccc32)CC1 ZINC000129790167 358596026 /nfs/dbraw/zinc/59/60/26/358596026.db2.gz GJVJEZMCXBAZNW-ZDUSSCGKSA-N 2 2 248.395 2.517 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@@H]2C2CCCC2)c[nH+]1 ZINC000131239472 358666710 /nfs/dbraw/zinc/66/67/10/358666710.db2.gz RXHCIBRPIWNCTL-CQSZACIVSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@@H]2C2CCCC2)c[nH+]1 ZINC000131239472 358666711 /nfs/dbraw/zinc/66/67/11/358666711.db2.gz RXHCIBRPIWNCTL-CQSZACIVSA-N 2 2 233.359 2.538 20 0 BFADLP CC(C)=CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131860988 358697740 /nfs/dbraw/zinc/69/77/40/358697740.db2.gz NRFZMUZRMXCUDS-CQSZACIVSA-N 2 2 232.327 2.501 20 0 BFADLP CC(C)=CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131860988 358697741 /nfs/dbraw/zinc/69/77/41/358697741.db2.gz NRFZMUZRMXCUDS-CQSZACIVSA-N 2 2 232.327 2.501 20 0 BFADLP C[C@H](c1nc2ccccc2s1)[N@H+](C)CCC[NH3+] ZINC000133748109 358766566 /nfs/dbraw/zinc/76/65/66/358766566.db2.gz NUFLUGZPHGIWAK-SNVBAGLBSA-N 2 2 249.383 2.638 20 0 BFADLP C[C@H](c1nc2ccccc2s1)[N@@H+](C)CCC[NH3+] ZINC000133748109 358766570 /nfs/dbraw/zinc/76/65/70/358766570.db2.gz NUFLUGZPHGIWAK-SNVBAGLBSA-N 2 2 249.383 2.638 20 0 BFADLP c1oc2ccccc2c1C[NH2+]CC[NH+]1CCCC1 ZINC000135030737 358816395 /nfs/dbraw/zinc/81/63/95/358816395.db2.gz RHPVFVGSWFYZDA-UHFFFAOYSA-N 2 2 244.338 2.618 20 0 BFADLP CC1CCC([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000053343713 358824976 /nfs/dbraw/zinc/82/49/76/358824976.db2.gz YZTIERDTIUOLQQ-SHARSMKWSA-N 2 2 238.419 2.887 20 0 BFADLP CC1CCC([NH2+]CC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000053343713 358824981 /nfs/dbraw/zinc/82/49/81/358824981.db2.gz YZTIERDTIUOLQQ-SHARSMKWSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)CCC[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000053343430 358825293 /nfs/dbraw/zinc/82/52/93/358825293.db2.gz NGOXRCBGIFDXMA-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)CCC[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000053343430 358825296 /nfs/dbraw/zinc/82/52/96/358825296.db2.gz NGOXRCBGIFDXMA-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)CCC[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000053343429 358825407 /nfs/dbraw/zinc/82/54/07/358825407.db2.gz NGOXRCBGIFDXMA-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)CCC[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000053343429 358825408 /nfs/dbraw/zinc/82/54/08/358825408.db2.gz NGOXRCBGIFDXMA-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000053343768 358825520 /nfs/dbraw/zinc/82/55/20/358825520.db2.gz ISDUZGFIFHCGNE-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)C1 ZINC000053343768 358825525 /nfs/dbraw/zinc/82/55/25/358825525.db2.gz ISDUZGFIFHCGNE-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000054488607 358864308 /nfs/dbraw/zinc/86/43/08/358864308.db2.gz QJIYRZPKNGPAHQ-WFASDCNBSA-N 2 2 232.371 2.509 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000053485727 358829383 /nfs/dbraw/zinc/82/93/83/358829383.db2.gz SBKJKFHISDJGAS-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000053485725 358829426 /nfs/dbraw/zinc/82/94/26/358829426.db2.gz SBKJKFHISDJGAS-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000054077445 358850797 /nfs/dbraw/zinc/85/07/97/358850797.db2.gz UXIDDBYSYIZRQQ-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C1CCCC1 ZINC000054077445 358850802 /nfs/dbraw/zinc/85/08/02/358850802.db2.gz UXIDDBYSYIZRQQ-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000071107811 359071688 /nfs/dbraw/zinc/07/16/88/359071688.db2.gz FAPQRTXRYUJCPT-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000070562937 359059408 /nfs/dbraw/zinc/05/94/08/359059408.db2.gz HLADEMVKTOZHKF-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000070562937 359059411 /nfs/dbraw/zinc/05/94/11/359059411.db2.gz HLADEMVKTOZHKF-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCCCC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246704074 359157592 /nfs/dbraw/zinc/15/75/92/359157592.db2.gz XLQKWMASAGSVCQ-KBPBESRZSA-N 2 2 235.375 2.956 20 0 BFADLP CCCCC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000246704074 359157596 /nfs/dbraw/zinc/15/75/96/359157596.db2.gz XLQKWMASAGSVCQ-KBPBESRZSA-N 2 2 235.375 2.956 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000246762667 359163035 /nfs/dbraw/zinc/16/30/35/359163035.db2.gz QVEVNDDCSWUANO-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000246762667 359163039 /nfs/dbraw/zinc/16/30/39/359163039.db2.gz QVEVNDDCSWUANO-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP c1[nH+]c2n(c1C[N@@H+]1CCCC3(CC3)CC1)CCC2 ZINC000628480214 359317754 /nfs/dbraw/zinc/31/77/54/359317754.db2.gz FCIRSECVZUXNIV-UHFFFAOYSA-N 2 2 245.370 2.595 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000397812968 363651358 /nfs/dbraw/zinc/65/13/58/363651358.db2.gz ZEDDWJWPZUJBDU-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc(F)c(C[N@H+](C)CCC[NH3+])c(Cl)c1 ZINC000578532657 366593718 /nfs/dbraw/zinc/59/37/18/366593718.db2.gz YQXFZINHXSOUHD-UHFFFAOYSA-N 2 2 244.741 2.568 20 0 BFADLP Cc1cc(F)c(C[N@@H+](C)CCC[NH3+])c(Cl)c1 ZINC000578532657 366593722 /nfs/dbraw/zinc/59/37/22/366593722.db2.gz YQXFZINHXSOUHD-UHFFFAOYSA-N 2 2 244.741 2.568 20 0 BFADLP COc1cc(C)ccc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000578638298 366615210 /nfs/dbraw/zinc/61/52/10/366615210.db2.gz SUTWOBGWEYGWMA-GFCCVEGCSA-N 2 2 248.370 2.536 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1F ZINC000088255154 359943438 /nfs/dbraw/zinc/94/34/38/359943438.db2.gz RMHLIVNMKPSRTG-SNVBAGLBSA-N 2 2 233.290 2.708 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000088505425 359964548 /nfs/dbraw/zinc/96/45/48/359964548.db2.gz YMVYPBTUQGCCFY-HUUCEWRRSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000088505425 359964554 /nfs/dbraw/zinc/96/45/54/359964554.db2.gz YMVYPBTUQGCCFY-HUUCEWRRSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000088521504 359964704 /nfs/dbraw/zinc/96/47/04/359964704.db2.gz FRGKMZSUKLHGLO-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000088521504 359964705 /nfs/dbraw/zinc/96/47/05/359964705.db2.gz FRGKMZSUKLHGLO-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CC[N@H+](CC[C@@H]1CC[NH2+]C1)c1cccc(C)c1 ZINC000089749172 360037066 /nfs/dbraw/zinc/03/70/66/360037066.db2.gz LZHVRVMVGKGAAI-AWEZNQCLSA-N 2 2 232.371 2.821 20 0 BFADLP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)c1cccc(C)c1 ZINC000089749172 360037070 /nfs/dbraw/zinc/03/70/70/360037070.db2.gz LZHVRVMVGKGAAI-AWEZNQCLSA-N 2 2 232.371 2.821 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000430696282 192885410 /nfs/dbraw/zinc/88/54/10/192885410.db2.gz PYDBSPYRPRITFH-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1F ZINC000094837652 360322592 /nfs/dbraw/zinc/32/25/92/360322592.db2.gz BQACOPYKWMCJOT-LBPRGKRZSA-N 2 2 247.317 2.681 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000226019084 360528888 /nfs/dbraw/zinc/52/88/88/360528888.db2.gz SQCDIDITOWGHDX-SNPRPXQTSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000226019084 360528892 /nfs/dbraw/zinc/52/88/92/360528892.db2.gz SQCDIDITOWGHDX-SNPRPXQTSA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)(C)[NH2+]CCNc1ccc2c(c1)CCC[NH2+]2 ZINC000414854891 200771889 /nfs/dbraw/zinc/77/18/89/200771889.db2.gz VILGKEZXQIMAPI-UHFFFAOYSA-N 2 2 247.386 2.845 20 0 BFADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629407630 361055868 /nfs/dbraw/zinc/05/58/68/361055868.db2.gz GAWIEEURTIWNKN-IINYFYTJSA-N 2 2 244.338 2.581 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000629394207 361043135 /nfs/dbraw/zinc/04/31/35/361043135.db2.gz GXWSYOQFOBGDOF-GDBMZVCRSA-N 2 2 246.398 2.842 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(C)c1 ZINC000629395669 361044433 /nfs/dbraw/zinc/04/44/33/361044433.db2.gz POXYHHTVKDTMFC-HUUCEWRRSA-N 2 2 246.398 2.842 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000629395710 361044851 /nfs/dbraw/zinc/04/48/51/361044851.db2.gz QFHMRSLFAYCBIQ-WFASDCNBSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(C)c1 ZINC000629397315 361048063 /nfs/dbraw/zinc/04/80/63/361048063.db2.gz ZDZJIYISRWYVAO-UKRRQHHQSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C[NH2+]1 ZINC000629414430 361060720 /nfs/dbraw/zinc/06/07/20/361060720.db2.gz OPPAPWVYFPTIKE-DOMZBBRYSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccc(F)cc2)C[NH2+]1 ZINC000629416768 361062038 /nfs/dbraw/zinc/06/20/38/361062038.db2.gz VLQHHXZVIAVYLZ-IZIWTHDTSA-N 2 2 248.345 2.569 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccc(F)c1 ZINC000629525295 361125760 /nfs/dbraw/zinc/12/57/60/361125760.db2.gz ZOWPWZXLIXJPOM-LEWSCRJBSA-N 2 2 236.334 2.617 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000629526120 361126896 /nfs/dbraw/zinc/12/68/96/361126896.db2.gz LBKXDMYCAAEORB-SOUVJXGZSA-N 2 2 248.345 2.543 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H]3CCC[C@H]32)[nH+]1 ZINC000428458322 201019258 /nfs/dbraw/zinc/01/92/58/201019258.db2.gz KVXLHDNWRFHRRI-GXTWGEPZSA-N 2 2 241.338 2.709 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CC[C@@H]3CCC[C@H]32)[nH+]1 ZINC000428458322 201019261 /nfs/dbraw/zinc/01/92/61/201019261.db2.gz KVXLHDNWRFHRRI-GXTWGEPZSA-N 2 2 241.338 2.709 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CC[C@H]3CCC[C@@H]32)[nH+]1 ZINC000428458328 201019715 /nfs/dbraw/zinc/01/97/15/201019715.db2.gz KVXLHDNWRFHRRI-OCCSQVGLSA-N 2 2 241.338 2.709 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CC[C@H]3CCC[C@@H]32)[nH+]1 ZINC000428458328 201019717 /nfs/dbraw/zinc/01/97/17/201019717.db2.gz KVXLHDNWRFHRRI-OCCSQVGLSA-N 2 2 241.338 2.709 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(F)cc32)C[NH2+]1 ZINC000629538335 361402437 /nfs/dbraw/zinc/40/24/37/361402437.db2.gz LCTFNDAVZOUGMG-DGFSRKRXSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000629544345 361411475 /nfs/dbraw/zinc/41/14/75/361411475.db2.gz KELIJLMHIOGAQV-VQISRLSMSA-N 2 2 248.345 2.543 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CC2)cc1 ZINC000629543835 361411957 /nfs/dbraw/zinc/41/19/57/361411957.db2.gz DPFUUZZMBMALLK-APHBMKBZSA-N 2 2 244.382 2.786 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccccn1 ZINC000629540032 361413811 /nfs/dbraw/zinc/41/38/11/361413811.db2.gz PREAPGSIDOGLOC-GUTXKFCHSA-N 2 2 247.386 2.653 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccn1 ZINC000629540035 361414626 /nfs/dbraw/zinc/41/46/26/361414626.db2.gz PREAPGSIDOGLOC-NFAWXSAZSA-N 2 2 247.386 2.653 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccnc1 ZINC000629542858 361420651 /nfs/dbraw/zinc/42/06/51/361420651.db2.gz NRJMNTLFRWPDDH-CFVMTHIKSA-N 2 2 247.386 2.653 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccnc1 ZINC000629542860 361420662 /nfs/dbraw/zinc/42/06/62/361420662.db2.gz NRJMNTLFRWPDDH-SNPRPXQTSA-N 2 2 247.386 2.653 20 0 BFADLP CC[C@H]1CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000430187837 201150808 /nfs/dbraw/zinc/15/08/08/201150808.db2.gz DGBPERVRKDDHGO-NSHDSACASA-N 2 2 247.367 2.918 20 0 BFADLP CC[C@H]1CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000430187837 201150812 /nfs/dbraw/zinc/15/08/12/201150812.db2.gz DGBPERVRKDDHGO-NSHDSACASA-N 2 2 247.367 2.918 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc21 ZINC000629544809 361424352 /nfs/dbraw/zinc/42/43/52/361424352.db2.gz JNOSXSUXGSXQPC-BAESOJJISA-N 2 2 230.355 2.575 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc21 ZINC000629544808 361424424 /nfs/dbraw/zinc/42/44/24/361424424.db2.gz JNOSXSUXGSXQPC-AZHAFVHUSA-N 2 2 230.355 2.575 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(C)c1 ZINC000629544847 361424512 /nfs/dbraw/zinc/42/45/12/361424512.db2.gz JUGAYWOYSFOFON-NWANDNLSSA-N 2 2 232.371 2.786 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C)cc1 ZINC000629545215 361425506 /nfs/dbraw/zinc/42/55/06/361425506.db2.gz AUAZWYCSUHTWKH-NWANDNLSSA-N 2 2 232.371 2.786 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(C)cc1 ZINC000629545212 361425594 /nfs/dbraw/zinc/42/55/94/361425594.db2.gz AUAZWYCSUHTWKH-AEGPPILISA-N 2 2 232.371 2.786 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000629546434 361427296 /nfs/dbraw/zinc/42/72/96/361427296.db2.gz WXDLDZVLZSPMDY-GBIKHYSHSA-N 2 2 238.762 2.741 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000629546214 361428166 /nfs/dbraw/zinc/42/81/66/361428166.db2.gz QJKTXZMGQRPSNP-OUJBWJOFSA-N 2 2 238.762 2.741 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629548995 361435448 /nfs/dbraw/zinc/43/54/48/361435448.db2.gz UAUVNXSLXVRNFN-VNHYZAJKSA-N 2 2 232.371 2.704 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2sccc21 ZINC000629553053 361437677 /nfs/dbraw/zinc/43/76/77/361437677.db2.gz JOMLRIJCXSOZPY-UMNHJUIQSA-N 2 2 236.384 2.638 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000629549711 361441359 /nfs/dbraw/zinc/44/13/59/361441359.db2.gz YYXUBYUWOIJZBR-APHBMKBZSA-N 2 2 244.382 2.868 20 0 BFADLP CC[C@@H]1CC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000430192825 201151087 /nfs/dbraw/zinc/15/10/87/201151087.db2.gz DGGMXPPEWUTBOZ-CQSZACIVSA-N 2 2 218.344 2.807 20 0 BFADLP CC[C@@H]1CC[N@H+]1CCCc1c[nH+]ccc1C ZINC000430192825 201151090 /nfs/dbraw/zinc/15/10/90/201151090.db2.gz DGGMXPPEWUTBOZ-CQSZACIVSA-N 2 2 218.344 2.807 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2)o1 ZINC000629651719 361557079 /nfs/dbraw/zinc/55/70/79/361557079.db2.gz XBAYVDASQKTWSN-UHFFFAOYSA-N 2 2 244.338 2.727 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2)o1 ZINC000629651719 361557085 /nfs/dbraw/zinc/55/70/85/361557085.db2.gz XBAYVDASQKTWSN-UHFFFAOYSA-N 2 2 244.338 2.727 20 0 BFADLP C1=CC[C@@H](C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434796480 201241756 /nfs/dbraw/zinc/24/17/56/201241756.db2.gz UILKYJDOHNFATF-ZBFHGGJFSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@@H](C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434796480 201241759 /nfs/dbraw/zinc/24/17/59/201241759.db2.gz UILKYJDOHNFATF-ZBFHGGJFSA-N 2 2 248.414 2.949 20 0 BFADLP Cc1[nH+]cc(-c2cccc(C[NH+](C)C)c2)cc1N ZINC000629706051 361641520 /nfs/dbraw/zinc/64/15/20/361641520.db2.gz CVENTLMRLFIDRF-UHFFFAOYSA-N 2 2 241.338 2.701 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CCC1 ZINC000437095689 201343591 /nfs/dbraw/zinc/34/35/91/201343591.db2.gz REOCLKNYEYIOPW-ZIAGYGMSSA-N 2 2 236.403 2.639 20 0 BFADLP CCCC[C@@H](C)[NH2+]CC[N@H+](CC)C1CC1 ZINC000155857326 201357618 /nfs/dbraw/zinc/35/76/18/201357618.db2.gz QUJCTAVIWPIZSW-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](C)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000155857326 201357622 /nfs/dbraw/zinc/35/76/22/201357622.db2.gz QUJCTAVIWPIZSW-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348076440 541303366 /nfs/dbraw/zinc/30/33/66/541303366.db2.gz CZOOJWCQRWYEDA-VHDGCEQUSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2)C[C@H]1[NH3+] ZINC000662275430 487527848 /nfs/dbraw/zinc/52/78/48/487527848.db2.gz AFDJNUJGSJNQML-IUODEOHRSA-N 2 2 246.398 2.763 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@H]1[NH3+] ZINC000662275430 487527857 /nfs/dbraw/zinc/52/78/57/487527857.db2.gz AFDJNUJGSJNQML-IUODEOHRSA-N 2 2 246.398 2.763 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]3C2)n1C ZINC000574098758 364987278 /nfs/dbraw/zinc/98/72/78/364987278.db2.gz CKKXKHPBQUGZHS-MELADBBJSA-N 2 2 247.386 2.787 20 0 BFADLP C[NH+](C)C(C)(C)CNc1[nH+]ccc2ccccc21 ZINC000168672335 364981441 /nfs/dbraw/zinc/98/14/41/364981441.db2.gz ZZQIZLMUPWEELF-UHFFFAOYSA-N 2 2 243.354 2.987 20 0 BFADLP C[C@@H](C[NH+](C)C)Nc1[nH+]ccc2ccccc21 ZINC000168982345 365046896 /nfs/dbraw/zinc/04/68/96/365046896.db2.gz KJFAVDAOUARCHO-NSHDSACASA-N 2 2 229.327 2.597 20 0 BFADLP [NH3+]CC[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000042428225 181390750 /nfs/dbraw/zinc/39/07/50/181390750.db2.gz YDHSSJTXYRHTRV-UHFFFAOYSA-N 2 2 236.334 2.529 20 0 BFADLP [NH3+]CC[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000042428225 181390751 /nfs/dbraw/zinc/39/07/51/181390751.db2.gz YDHSSJTXYRHTRV-UHFFFAOYSA-N 2 2 236.334 2.529 20 0 BFADLP CCn1cc[nH+]c1CNc1ccc([C@@H](C)[NH3+])cc1 ZINC000575151780 365223890 /nfs/dbraw/zinc/22/38/90/365223890.db2.gz ZYZNGRXEHQDTNY-LLVKDONJSA-N 2 2 244.342 2.535 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000444012751 193033700 /nfs/dbraw/zinc/03/37/00/193033700.db2.gz WXUMSSKLPXHFLI-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000444012751 193033701 /nfs/dbraw/zinc/03/37/01/193033701.db2.gz WXUMSSKLPXHFLI-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000575600855 365333006 /nfs/dbraw/zinc/33/30/06/365333006.db2.gz QYWHWDUIZPMLTK-GHMZBOCLSA-N 2 2 235.375 2.681 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000575600855 365333009 /nfs/dbraw/zinc/33/30/09/365333009.db2.gz QYWHWDUIZPMLTK-GHMZBOCLSA-N 2 2 235.375 2.681 20 0 BFADLP CC(C)[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182788131 366942352 /nfs/dbraw/zinc/94/23/52/366942352.db2.gz OVJGSNOQQCCSFV-CQSZACIVSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182788131 366942358 /nfs/dbraw/zinc/94/23/58/366942358.db2.gz OVJGSNOQQCCSFV-CQSZACIVSA-N 2 2 235.375 2.784 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000183181668 366989212 /nfs/dbraw/zinc/98/92/12/366989212.db2.gz FMVFDHJDAUFFKI-KBPBESRZSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000183181668 366989216 /nfs/dbraw/zinc/98/92/16/366989216.db2.gz FMVFDHJDAUFFKI-KBPBESRZSA-N 2 2 233.359 2.538 20 0 BFADLP C[C@H](C[NH2+]C[C@@H]1CCCC[C@H]1C)Cn1cc[nH+]c1 ZINC000183565859 367030427 /nfs/dbraw/zinc/03/04/27/367030427.db2.gz WHLWBOVAIGDWCQ-KFWWJZLASA-N 2 2 249.402 2.935 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000581245487 367306291 /nfs/dbraw/zinc/30/62/91/367306291.db2.gz CHKRWJOLQFHPMN-DAXOMENPSA-N 2 2 244.382 2.712 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CCC2=CCCCC2)n1C ZINC000581440528 367472620 /nfs/dbraw/zinc/47/26/20/367472620.db2.gz JAFAHBOYSMQSFE-UHFFFAOYSA-N 2 2 233.359 2.709 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399122250 367595914 /nfs/dbraw/zinc/59/59/14/367595914.db2.gz IFDFMFBFMPCBBK-HZSPNIEDSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000581618557 367638115 /nfs/dbraw/zinc/63/81/15/367638115.db2.gz GLYUOJUOAJOVTH-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000581618557 367638119 /nfs/dbraw/zinc/63/81/19/367638119.db2.gz GLYUOJUOAJOVTH-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)C ZINC000384645794 367712396 /nfs/dbraw/zinc/71/23/96/367712396.db2.gz BKDONSABNQXNQP-GFCCVEGCSA-N 2 2 214.397 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)C ZINC000384645794 367712400 /nfs/dbraw/zinc/71/24/00/367712400.db2.gz BKDONSABNQXNQP-GFCCVEGCSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1[nH+]cn(Cc2c(C)cc(C)[nH+]c2C)c1C ZINC000631011676 370880874 /nfs/dbraw/zinc/88/08/74/370880874.db2.gz BIGPRHQXBJRYCP-UHFFFAOYSA-N 2 2 229.327 2.869 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000385260376 367813428 /nfs/dbraw/zinc/81/34/28/367813428.db2.gz WZGZLMOLLVECDY-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000385260376 367813429 /nfs/dbraw/zinc/81/34/29/367813429.db2.gz WZGZLMOLLVECDY-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@H+](Cc1coc2ccccc12)C1(C[NH3+])CCC1 ZINC000385146544 367801567 /nfs/dbraw/zinc/80/15/67/367801567.db2.gz IIDISXJSVWCMPI-UHFFFAOYSA-N 2 2 244.338 2.746 20 0 BFADLP C[N@@H+](Cc1coc2ccccc12)C1(C[NH3+])CCC1 ZINC000385146544 367801569 /nfs/dbraw/zinc/80/15/69/367801569.db2.gz IIDISXJSVWCMPI-UHFFFAOYSA-N 2 2 244.338 2.746 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1F ZINC000399203688 367903838 /nfs/dbraw/zinc/90/38/38/367903838.db2.gz UVSWYTDYDZMJGR-WOPDTQHZSA-N 2 2 236.334 2.617 20 0 BFADLP Cc1csc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000386053044 367904413 /nfs/dbraw/zinc/90/44/13/367904413.db2.gz VUZPWWDVOQCZQX-YPMHNXCESA-N 2 2 238.400 2.677 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000399211395 367908073 /nfs/dbraw/zinc/90/80/73/367908073.db2.gz XVVRVFQZZQPFFN-SUNKGSAMSA-N 2 2 236.334 2.617 20 0 BFADLP Cc1ccsc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386560129 367992913 /nfs/dbraw/zinc/99/29/13/367992913.db2.gz IVWVLZMGSRLAOA-NWDGAFQWSA-N 2 2 238.400 2.677 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCCC3)C[N@@H+]1C1CC1 ZINC000387227578 368117427 /nfs/dbraw/zinc/11/74/27/368117427.db2.gz HYZYXGLBIFRSPG-DYEKYZERSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CCCC3)C[N@H+]1C1CC1 ZINC000387227578 368117429 /nfs/dbraw/zinc/11/74/29/368117429.db2.gz HYZYXGLBIFRSPG-DYEKYZERSA-N 2 2 234.387 2.534 20 0 BFADLP CC[C@@H](CC(F)F)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834833 369040621 /nfs/dbraw/zinc/04/06/21/369040621.db2.gz GRUNDTWCSFJFLQ-RYUDHWBXSA-N 2 2 248.361 2.871 20 0 BFADLP CC[C@@H](CC(F)F)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834833 369040627 /nfs/dbraw/zinc/04/06/27/369040627.db2.gz GRUNDTWCSFJFLQ-RYUDHWBXSA-N 2 2 248.361 2.871 20 0 BFADLP CC[N@H+](CCc1c[nH+]cn1C)C1CCCCC1 ZINC000459308919 203253009 /nfs/dbraw/zinc/25/30/09/203253009.db2.gz UYFDVUBVIMHEOG-UHFFFAOYSA-N 2 2 235.375 2.617 20 0 BFADLP CC[N@@H+](CCc1c[nH+]cn1C)C1CCCCC1 ZINC000459308919 203253011 /nfs/dbraw/zinc/25/30/11/203253011.db2.gz UYFDVUBVIMHEOG-UHFFFAOYSA-N 2 2 235.375 2.617 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+](C)C1CCC(C)(C)CC1 ZINC000459337384 203261630 /nfs/dbraw/zinc/26/16/30/203261630.db2.gz DEGFSHCZHXYADC-UHFFFAOYSA-N 2 2 249.402 2.863 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+](C)C1CCC(C)(C)CC1 ZINC000459337384 203261633 /nfs/dbraw/zinc/26/16/33/203261633.db2.gz DEGFSHCZHXYADC-UHFFFAOYSA-N 2 2 249.402 2.863 20 0 BFADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCCC[C@@H]1C ZINC000459405225 203276383 /nfs/dbraw/zinc/27/63/83/203276383.db2.gz DXYQVGJATIFLAE-DZGCQCFKSA-N 2 2 249.402 2.863 20 0 BFADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCCC[C@@H]1C ZINC000459405225 203276387 /nfs/dbraw/zinc/27/63/87/203276387.db2.gz DXYQVGJATIFLAE-DZGCQCFKSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@H]1[C@H]([NH2+]C2CC(C(C)(C)C)C2)CCC[N@@H+]1C ZINC000459480603 203289910 /nfs/dbraw/zinc/28/99/10/203289910.db2.gz MDDZWYSFOFGDDS-GFJIZPEISA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1[C@H]([NH2+]C2CC(C(C)(C)C)C2)CCC[N@H+]1C ZINC000459480603 203289913 /nfs/dbraw/zinc/28/99/13/203289913.db2.gz MDDZWYSFOFGDDS-GFJIZPEISA-N 2 2 238.419 2.883 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000459672787 203333898 /nfs/dbraw/zinc/33/38/98/203333898.db2.gz YICITZMAFAAIRG-CABCVRRESA-N 2 2 247.386 2.521 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000631859891 369467922 /nfs/dbraw/zinc/46/79/22/369467922.db2.gz FQCAUPZLMBGKFG-SKDRFNHKSA-N 2 2 240.297 2.546 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000631859891 369467923 /nfs/dbraw/zinc/46/79/23/369467923.db2.gz FQCAUPZLMBGKFG-SKDRFNHKSA-N 2 2 240.297 2.546 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]CC[C@H]1CC=CCC1)CCC2 ZINC000623698398 369504244 /nfs/dbraw/zinc/50/42/44/369504244.db2.gz DGSLTBCFUBJXIJ-ZDUSSCGKSA-N 2 2 245.370 2.665 20 0 BFADLP C[C@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CC1 ZINC000165250810 203383409 /nfs/dbraw/zinc/38/34/09/203383409.db2.gz WXGWWJBQTIESRT-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1scc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1C ZINC000631042490 371003197 /nfs/dbraw/zinc/00/31/97/371003197.db2.gz ZBDAXKZENJEOTG-SNVBAGLBSA-N 2 2 249.383 2.740 20 0 BFADLP C/C=C\C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000623739742 371074626 /nfs/dbraw/zinc/07/46/26/371074626.db2.gz FKPFMEYKZUJAPD-IHWYPQMZSA-N 2 2 233.340 2.600 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000568856612 326379449 /nfs/dbraw/zinc/37/94/49/326379449.db2.gz CWTTUONCVTZQDB-WPRPVWTQSA-N 2 2 244.741 2.867 20 0 BFADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000623887891 371140227 /nfs/dbraw/zinc/14/02/27/371140227.db2.gz QLEVKPJHAJPSOQ-GDBMZVCRSA-N 2 2 248.414 2.938 20 0 BFADLP CC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000623887894 371140323 /nfs/dbraw/zinc/14/03/23/371140323.db2.gz QLEVKPJHAJPSOQ-ZBFHGGJFSA-N 2 2 248.414 2.938 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCCC2(C)C)n1C ZINC000569140135 326392931 /nfs/dbraw/zinc/39/29/31/326392931.db2.gz DAXCCGCVDCGEMB-CYBMUJFWSA-N 2 2 235.375 2.787 20 0 BFADLP Cc1[nH+]cccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623942404 371170483 /nfs/dbraw/zinc/17/04/83/371170483.db2.gz IKDDIPPSMYESFY-LBPRGKRZSA-N 2 2 233.359 2.675 20 0 BFADLP Cc1[nH+]cccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623942404 371170486 /nfs/dbraw/zinc/17/04/86/371170486.db2.gz IKDDIPPSMYESFY-LBPRGKRZSA-N 2 2 233.359 2.675 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101155 371306033 /nfs/dbraw/zinc/30/60/33/371306033.db2.gz MSQULFSZUMJIAX-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101155 371306035 /nfs/dbraw/zinc/30/60/35/371306035.db2.gz MSQULFSZUMJIAX-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624272078 371452348 /nfs/dbraw/zinc/45/23/48/371452348.db2.gz WNPSMTAECBGEGQ-RDBSUJKOSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624272078 371452351 /nfs/dbraw/zinc/45/23/51/371452351.db2.gz WNPSMTAECBGEGQ-RDBSUJKOSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000624315258 371478963 /nfs/dbraw/zinc/47/89/63/371478963.db2.gz ZNWAZCWBQVGRRI-UMVBOHGHSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCCC12CC2 ZINC000624315258 371478966 /nfs/dbraw/zinc/47/89/66/371478966.db2.gz ZNWAZCWBQVGRRI-UMVBOHGHSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@H](C[NH2+]CC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000163816088 372061237 /nfs/dbraw/zinc/06/12/37/372061237.db2.gz FKPOPFQTWVTDJD-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP CC1([NH+]2CCCC2)CCN(c2cccc[nH+]2)CC1 ZINC000631444992 372368927 /nfs/dbraw/zinc/36/89/27/372368927.db2.gz CJHXCLDNXUNAHF-UHFFFAOYSA-N 2 2 245.370 2.536 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000631736414 372538470 /nfs/dbraw/zinc/53/84/70/372538470.db2.gz JTUPTKKKKADBTK-NFAWXSAZSA-N 2 2 232.371 2.596 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000631736414 372538478 /nfs/dbraw/zinc/53/84/78/372538478.db2.gz JTUPTKKKKADBTK-NFAWXSAZSA-N 2 2 232.371 2.596 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)CC(C)(C)C1 ZINC000040672327 373589366 /nfs/dbraw/zinc/58/93/66/373589366.db2.gz PVNHFMRVKPOGNE-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000040672327 373589376 /nfs/dbraw/zinc/58/93/76/373589376.db2.gz PVNHFMRVKPOGNE-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1C ZINC000040673028 373590932 /nfs/dbraw/zinc/59/09/32/373590932.db2.gz UZJBOFVQOUWHFO-INIZCTEOSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1C ZINC000040673028 373590935 /nfs/dbraw/zinc/59/09/35/373590935.db2.gz UZJBOFVQOUWHFO-INIZCTEOSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cccn2c(C[NH2+]Cc3ccoc3)c[nH+]c12 ZINC000174298891 374175095 /nfs/dbraw/zinc/17/50/95/374175095.db2.gz JXPQDAZREDJWJD-UHFFFAOYSA-N 2 2 241.294 2.526 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000442666449 206083003 /nfs/dbraw/zinc/08/30/03/206083003.db2.gz RBDFIVGYNJBVKW-UHIISALHSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C)C[C@@H]1c1ccccc1F ZINC000442666449 206083007 /nfs/dbraw/zinc/08/30/07/206083007.db2.gz RBDFIVGYNJBVKW-UHIISALHSA-N 2 2 236.334 2.556 20 0 BFADLP CCC[NH+]1CCC([N@H+](C)Cc2ccco2)CC1 ZINC000092165727 169187104 /nfs/dbraw/zinc/18/71/04/169187104.db2.gz RKSAHAGTDAQVBO-UHFFFAOYSA-N 2 2 236.359 2.586 20 0 BFADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccco2)CC1 ZINC000092165727 169187105 /nfs/dbraw/zinc/18/71/05/169187105.db2.gz RKSAHAGTDAQVBO-UHFFFAOYSA-N 2 2 236.359 2.586 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1c(C)cc(C)cc1C ZINC000228717557 169259407 /nfs/dbraw/zinc/25/94/07/169259407.db2.gz RUKYGPWCZKHTPF-UHFFFAOYSA-N 2 2 234.387 2.701 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336736207 169370976 /nfs/dbraw/zinc/37/09/76/169370976.db2.gz MLSKYLULDWQVPL-TZMCWYRMSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000336736207 169370977 /nfs/dbraw/zinc/37/09/77/169370977.db2.gz MLSKYLULDWQVPL-TZMCWYRMSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336736205 169370086 /nfs/dbraw/zinc/37/00/86/169370086.db2.gz MLSKYLULDWQVPL-OCCSQVGLSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336736205 169370087 /nfs/dbraw/zinc/37/00/87/169370087.db2.gz MLSKYLULDWQVPL-OCCSQVGLSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349130986 169358737 /nfs/dbraw/zinc/35/87/37/169358737.db2.gz OWJUHLPSVDFBJV-CHWSQXEVSA-N 2 2 235.375 2.646 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349130986 169358739 /nfs/dbraw/zinc/35/87/39/169358739.db2.gz OWJUHLPSVDFBJV-CHWSQXEVSA-N 2 2 235.375 2.646 20 0 BFADLP CCC[C@@H](CC)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439018 169379166 /nfs/dbraw/zinc/37/91/66/169379166.db2.gz RATUDDWQXMRVGL-GFCCVEGCSA-N 2 2 235.375 2.888 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@H]1CCC13CCCC3)CC2 ZINC000336415147 383829308 /nfs/dbraw/zinc/82/93/08/383829308.db2.gz YGRQSMKZBYABBW-OLZOCXBDSA-N 2 2 245.370 2.510 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)C1CC1 ZINC000227709468 134384613 /nfs/dbraw/zinc/38/46/13/134384613.db2.gz ZTRQLSMPSPUMNB-OSFYFWSMSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)C1CC1 ZINC000227709468 134384614 /nfs/dbraw/zinc/38/46/14/134384614.db2.gz ZTRQLSMPSPUMNB-OSFYFWSMSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000037141007 383944945 /nfs/dbraw/zinc/94/49/45/383944945.db2.gz NFAUUZSMYIOTEK-LBPRGKRZSA-N 2 2 248.370 2.865 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)o1 ZINC000037158003 383948768 /nfs/dbraw/zinc/94/87/68/383948768.db2.gz JEIGIONUIOIFMV-CMPLNLGQSA-N 2 2 233.315 2.524 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)s1 ZINC000037157653 383949711 /nfs/dbraw/zinc/94/97/11/383949711.db2.gz SWASROPYHNWVGB-PWSUYJOCSA-N 2 2 249.383 2.992 20 0 BFADLP c1cn(-c2ccc(C[NH2+]CC3CCC3)cc2)c[nH+]1 ZINC000037253658 383965472 /nfs/dbraw/zinc/96/54/72/383965472.db2.gz WFGNCEVILXWYSV-UHFFFAOYSA-N 2 2 241.338 2.762 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](Cc1ccccn1)C(C)C ZINC000569437208 384026492 /nfs/dbraw/zinc/02/64/92/384026492.db2.gz AWGZDRPQYLPBIX-AWEZNQCLSA-N 2 2 249.402 2.665 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](Cc1ccccn1)C(C)C ZINC000569437208 384026497 /nfs/dbraw/zinc/02/64/97/384026497.db2.gz AWGZDRPQYLPBIX-AWEZNQCLSA-N 2 2 249.402 2.665 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)[nH+]1 ZINC000647256439 384044589 /nfs/dbraw/zinc/04/45/89/384044589.db2.gz SCRJGVAHIBKYHX-JHJVBQTASA-N 2 2 241.338 2.613 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC000569452635 384053369 /nfs/dbraw/zinc/05/33/69/384053369.db2.gz DCRQFWQMOLQVQT-SNVBAGLBSA-N 2 2 242.313 2.712 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C(C)C ZINC000090847445 384061910 /nfs/dbraw/zinc/06/19/10/384061910.db2.gz LRSPDTNFABXEOH-GFCCVEGCSA-N 2 2 206.333 2.567 20 0 BFADLP CCCC[C@H](CC)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309493724 384097591 /nfs/dbraw/zinc/09/75/91/384097591.db2.gz XVBGUTDEFMVYFE-HZSPNIEDSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[C@H](CC)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309493724 384097595 /nfs/dbraw/zinc/09/75/95/384097595.db2.gz XVBGUTDEFMVYFE-HZSPNIEDSA-N 2 2 226.408 2.743 20 0 BFADLP CCc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000006314037 384151476 /nfs/dbraw/zinc/15/14/76/384151476.db2.gz VDFUPFKFACGFSK-UHFFFAOYSA-N 2 2 243.354 2.625 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](C[C@H](C)CC2CCCCC2)C1 ZINC000469839143 533038887 /nfs/dbraw/zinc/03/88/87/533038887.db2.gz SBXBTOKGKHLWKU-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](C[C@H](C)CC2CCCCC2)C1 ZINC000469839143 533038888 /nfs/dbraw/zinc/03/88/88/533038888.db2.gz SBXBTOKGKHLWKU-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C)cc1 ZINC000041064065 384176264 /nfs/dbraw/zinc/17/62/64/384176264.db2.gz QDDOWUPGAHMFAY-OAHLLOKOSA-N 2 2 243.354 2.932 20 0 BFADLP CC(C)C(C[NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)C ZINC000556387277 384183038 /nfs/dbraw/zinc/18/30/38/384183038.db2.gz MBPKNWJBJRKQJO-AWEZNQCLSA-N 2 2 240.435 2.846 20 0 BFADLP CC(C)C(C[NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)C ZINC000556387277 384183043 /nfs/dbraw/zinc/18/30/43/384183043.db2.gz MBPKNWJBJRKQJO-AWEZNQCLSA-N 2 2 240.435 2.846 20 0 BFADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccs1 ZINC000313266097 384183598 /nfs/dbraw/zinc/18/35/98/384183598.db2.gz PYGKLTFCELGPTI-GFCCVEGCSA-N 2 2 249.383 2.765 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000118975887 384220840 /nfs/dbraw/zinc/22/08/40/384220840.db2.gz BKFBWFRAPBSKKR-UKRRQHHQSA-N 2 2 234.387 2.986 20 0 BFADLP c1coc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683351 384262103 /nfs/dbraw/zinc/26/21/03/384262103.db2.gz LWHPCCFSXAXMNI-AWEZNQCLSA-N 2 2 248.370 2.587 20 0 BFADLP c1coc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683351 384262108 /nfs/dbraw/zinc/26/21/08/384262108.db2.gz LWHPCCFSXAXMNI-AWEZNQCLSA-N 2 2 248.370 2.587 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)s1 ZINC000569573058 384265674 /nfs/dbraw/zinc/26/56/74/384265674.db2.gz RRDLZCXQQZHEOK-GFCCVEGCSA-N 2 2 238.400 2.541 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000158757214 384266994 /nfs/dbraw/zinc/26/69/94/384266994.db2.gz NWZMRPRGJAOGLG-INIZCTEOSA-N 2 2 246.398 2.549 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000158757214 384266998 /nfs/dbraw/zinc/26/69/98/384266998.db2.gz NWZMRPRGJAOGLG-INIZCTEOSA-N 2 2 246.398 2.549 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000569591285 384292316 /nfs/dbraw/zinc/29/23/16/384292316.db2.gz ZTJVODMWAUYVBM-UHFFFAOYSA-N 2 2 244.382 2.746 20 0 BFADLP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000405466489 384360348 /nfs/dbraw/zinc/36/03/48/384360348.db2.gz JXMWLZNKRYQIIV-BDAKNGLRSA-N 2 2 244.791 2.617 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000095068341 384329204 /nfs/dbraw/zinc/32/92/04/384329204.db2.gz OIKCKHOXSPKPCG-MNOVXSKESA-N 2 2 224.373 2.541 20 0 BFADLP Cc1ccc(CCC[NH+]2CC(C3CC3)C2)c[nH+]1 ZINC000643345226 384377944 /nfs/dbraw/zinc/37/79/44/384377944.db2.gz JUXZUSFFENQVMX-UHFFFAOYSA-N 2 2 230.355 2.664 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]Cc1cccc2ccccc21 ZINC000135598150 384453019 /nfs/dbraw/zinc/45/30/19/384453019.db2.gz ZUXSACSVIDKMFO-ZDUSSCGKSA-N 2 2 242.366 2.880 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000448022846 384475308 /nfs/dbraw/zinc/47/53/08/384475308.db2.gz QDVZQAMMMSURLH-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000448022846 384475317 /nfs/dbraw/zinc/47/53/17/384475317.db2.gz QDVZQAMMMSURLH-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP Clc1sccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000312761758 384477555 /nfs/dbraw/zinc/47/75/55/384477555.db2.gz ITFHEPSKYLIQLK-SNVBAGLBSA-N 2 2 244.791 2.633 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000556816395 384502087 /nfs/dbraw/zinc/50/20/87/384502087.db2.gz WDBAUXXZSVUPNB-GJZGRUSLSA-N 2 2 236.403 2.949 20 0 BFADLP C[NH+](C)CCC[NH2+]Cc1ccc(F)cc1Cl ZINC000020054121 384570855 /nfs/dbraw/zinc/57/08/55/384570855.db2.gz UJFMZBRNWMEZPJ-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C1CCC(F)(F)CC1 ZINC000647182487 384575421 /nfs/dbraw/zinc/57/54/21/384575421.db2.gz FPMYWJLOKGWKFI-UHFFFAOYSA-N 2 2 248.361 2.886 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(F)(F)CC1 ZINC000647182487 384575427 /nfs/dbraw/zinc/57/54/27/384575427.db2.gz FPMYWJLOKGWKFI-UHFFFAOYSA-N 2 2 248.361 2.886 20 0 BFADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643066360 384580829 /nfs/dbraw/zinc/58/08/29/384580829.db2.gz NFVFUPCKTDEYAO-SQWLQELKSA-N 2 2 244.382 2.740 20 0 BFADLP Cc1cccc([C@H](C)[N@H+]2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643066360 384580833 /nfs/dbraw/zinc/58/08/33/384580833.db2.gz NFVFUPCKTDEYAO-SQWLQELKSA-N 2 2 244.382 2.740 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000309804919 384633083 /nfs/dbraw/zinc/63/30/83/384633083.db2.gz RXCXKCFHULRUKU-ZKYQVNSYSA-N 2 2 218.344 2.567 20 0 BFADLP c1cn(CCC[NH2+][C@H]2CCc3ccccc32)c[nH+]1 ZINC000020506259 384619270 /nfs/dbraw/zinc/61/92/70/384619270.db2.gz LMYLJGABFWGVSW-HNNXBMFYSA-N 2 2 241.338 2.550 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C(C)C)cn21 ZINC000647364691 384694561 /nfs/dbraw/zinc/69/45/61/384694561.db2.gz JCNHJOQVNZZBOP-ZDUSSCGKSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cc[nH+]c(NCC2([NH+](C)C)CCCC2)c1 ZINC000125363568 384715492 /nfs/dbraw/zinc/71/54/92/384715492.db2.gz MUGXAZWBRDTQSO-UHFFFAOYSA-N 2 2 233.359 2.676 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053344990 384716215 /nfs/dbraw/zinc/71/62/15/384716215.db2.gz ZXYHGGFYXVBJBN-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053344990 384716221 /nfs/dbraw/zinc/71/62/21/384716221.db2.gz ZXYHGGFYXVBJBN-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+](C)CC[NH2+]C(CC(C)C)CC(C)C ZINC000054110032 384730438 /nfs/dbraw/zinc/73/04/38/384730438.db2.gz ZUAPXGWCSMFOHU-UHFFFAOYSA-N 2 2 228.424 2.989 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C(CC(C)C)CC(C)C ZINC000054110032 384730445 /nfs/dbraw/zinc/73/04/45/384730445.db2.gz ZUAPXGWCSMFOHU-UHFFFAOYSA-N 2 2 228.424 2.989 20 0 BFADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548868 384741223 /nfs/dbraw/zinc/74/12/23/384741223.db2.gz YXGSZUAONRHRCK-CAVOSLQRSA-N 2 2 244.382 2.508 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)c(C)c1 ZINC000647550129 384748346 /nfs/dbraw/zinc/74/83/46/384748346.db2.gz BGTGAHKFZCTQED-DOMZBBRYSA-N 2 2 246.398 2.699 20 0 BFADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CC[NH3+])CCCO2 ZINC000062623323 384760868 /nfs/dbraw/zinc/76/08/68/384760868.db2.gz ZRLNICJORVISIO-AWEZNQCLSA-N 2 2 248.370 2.572 20 0 BFADLP Fc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553961 384769111 /nfs/dbraw/zinc/76/91/11/384769111.db2.gz NWDSXHGKXNGGME-CQSZACIVSA-N 2 2 248.345 2.590 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000363783164 384834290 /nfs/dbraw/zinc/83/42/90/384834290.db2.gz IZKPLGJOJKAASA-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000363783164 384834294 /nfs/dbraw/zinc/83/42/94/384834294.db2.gz IZKPLGJOJKAASA-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423246433 384783203 /nfs/dbraw/zinc/78/32/03/384783203.db2.gz KAVUBRVLVPJMAQ-RRFJBIMHSA-N 2 2 232.371 2.711 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423246435 384785380 /nfs/dbraw/zinc/78/53/80/384785380.db2.gz KAVUBRVLVPJMAQ-ZNMIVQPWSA-N 2 2 232.371 2.711 20 0 BFADLP CC(C)C[C@@H](C[NH2+]C1CC2(CCC2)C1)[NH+](C)C ZINC000448057266 384875058 /nfs/dbraw/zinc/87/50/58/384875058.db2.gz BCZYDVMDORFMGW-AWEZNQCLSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C(C[NH2+]CC1([NH+](C)C)CCC1)C(C)C ZINC000310491665 384850817 /nfs/dbraw/zinc/85/08/17/384850817.db2.gz IPSFLZCQGBOQAN-UHFFFAOYSA-N 2 2 240.435 2.989 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054765029 384851172 /nfs/dbraw/zinc/85/11/72/384851172.db2.gz JOIQQXOKISREES-NSHDSACASA-N 2 2 215.300 2.569 20 0 BFADLP CC[C@@H](C)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364017251 384857563 /nfs/dbraw/zinc/85/75/63/384857563.db2.gz WBCPFLFDTUXDQO-LLVKDONJSA-N 2 2 221.348 2.635 20 0 BFADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccco1 ZINC000163837759 384867401 /nfs/dbraw/zinc/86/74/01/384867401.db2.gz YOFPFLAUUFFWAK-GFCCVEGCSA-N 2 2 245.326 2.827 20 0 BFADLP CC[C@@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152112229 384952718 /nfs/dbraw/zinc/95/27/18/384952718.db2.gz GXQQTILFZKNAHJ-CYBMUJFWSA-N 2 2 243.354 2.820 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000086845113 384896042 /nfs/dbraw/zinc/89/60/42/384896042.db2.gz YRJYGAOKYGJYFU-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCCC1(C)C ZINC000086845113 384896050 /nfs/dbraw/zinc/89/60/50/384896050.db2.gz YRJYGAOKYGJYFU-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000251102227 384910196 /nfs/dbraw/zinc/91/01/96/384910196.db2.gz RNMQEHRVYYTTPZ-CHWSQXEVSA-N 2 2 238.762 2.824 20 0 BFADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000251102227 384910199 /nfs/dbraw/zinc/91/01/99/384910199.db2.gz RNMQEHRVYYTTPZ-CHWSQXEVSA-N 2 2 238.762 2.824 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC000161207651 384919402 /nfs/dbraw/zinc/91/94/02/384919402.db2.gz BJRSSWHINMGGAN-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC000161207651 384919409 /nfs/dbraw/zinc/91/94/09/384919409.db2.gz BJRSSWHINMGGAN-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000233900794 384923380 /nfs/dbraw/zinc/92/33/80/384923380.db2.gz VFXGPZWDPWJCMD-LSDHHAIUSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000043326269 384997269 /nfs/dbraw/zinc/99/72/69/384997269.db2.gz ZNZXFOVHHXFWCO-DTWKUNHWSA-N 2 2 244.791 2.804 20 0 BFADLP CC[C@@H]1CCCC[C@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000401621086 385049113 /nfs/dbraw/zinc/04/91/13/385049113.db2.gz RFMODPJWIRATLQ-KGLIPLIRSA-N 2 2 249.402 2.769 20 0 BFADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccco1 ZINC000128892254 385086739 /nfs/dbraw/zinc/08/67/39/385086739.db2.gz QNGILYTYUZNBEW-ZDUSSCGKSA-N 2 2 236.359 2.586 20 0 BFADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccco1 ZINC000128892254 385086745 /nfs/dbraw/zinc/08/67/45/385086745.db2.gz QNGILYTYUZNBEW-ZDUSSCGKSA-N 2 2 236.359 2.586 20 0 BFADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccco1 ZINC000128892254 385086751 /nfs/dbraw/zinc/08/67/51/385086751.db2.gz QNGILYTYUZNBEW-ZDUSSCGKSA-N 2 2 236.359 2.586 20 0 BFADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccco1 ZINC000128892254 385086756 /nfs/dbraw/zinc/08/67/56/385086756.db2.gz QNGILYTYUZNBEW-ZDUSSCGKSA-N 2 2 236.359 2.586 20 0 BFADLP C[C@H](C[NH2+]Cc1sccc1Cl)C[NH+](C)C ZINC000291663615 385088342 /nfs/dbraw/zinc/08/83/42/385088342.db2.gz FLEBDYPAYGEQBG-SECBINFHSA-N 2 2 246.807 2.689 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000129724348 385181945 /nfs/dbraw/zinc/18/19/45/385181945.db2.gz RZIRFKIKMWMNHI-KGYLQXTDSA-N 2 2 236.359 2.721 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000129724348 385181951 /nfs/dbraw/zinc/18/19/51/385181951.db2.gz RZIRFKIKMWMNHI-KGYLQXTDSA-N 2 2 236.359 2.721 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000252710371 385194006 /nfs/dbraw/zinc/19/40/06/385194006.db2.gz GKZIXQTVYNITQA-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)CC[N@@H+]1C ZINC000130034419 385211501 /nfs/dbraw/zinc/21/15/01/385211501.db2.gz VJLRLFRVVOTZHI-YRGRVCCFSA-N 2 2 248.370 2.729 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)CC[N@H+]1C ZINC000130034419 385211503 /nfs/dbraw/zinc/21/15/03/385211503.db2.gz VJLRLFRVVOTZHI-YRGRVCCFSA-N 2 2 248.370 2.729 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000130205352 385228395 /nfs/dbraw/zinc/22/83/95/385228395.db2.gz XTQSZZZJXQHJLJ-CQSZACIVSA-N 2 2 243.354 2.851 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000559919148 385229320 /nfs/dbraw/zinc/22/93/20/385229320.db2.gz LNPFFUJEOJQIJQ-HZSPNIEDSA-N 2 2 234.387 2.700 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000559919148 385229326 /nfs/dbraw/zinc/22/93/26/385229326.db2.gz LNPFFUJEOJQIJQ-HZSPNIEDSA-N 2 2 234.387 2.700 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CC2 ZINC000154604312 385342301 /nfs/dbraw/zinc/34/23/01/385342301.db2.gz FMAWFZIYBPZWSZ-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CC2 ZINC000154604312 385342307 /nfs/dbraw/zinc/34/23/07/385342307.db2.gz FMAWFZIYBPZWSZ-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000309021434 385374182 /nfs/dbraw/zinc/37/41/82/385374182.db2.gz XIAGYMNEOIBFCK-OLZOCXBDSA-N 2 2 214.397 2.741 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000309165840 385447052 /nfs/dbraw/zinc/44/70/52/385447052.db2.gz IXHRQAYLFBLLNE-AGIUHOORSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309165840 385447058 /nfs/dbraw/zinc/44/70/58/385447058.db2.gz IXHRQAYLFBLLNE-AGIUHOORSA-N 2 2 212.381 2.637 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2CCC[C@@H]([NH3+])C2)c1Cl ZINC000643030515 385526314 /nfs/dbraw/zinc/52/63/14/385526314.db2.gz WRKTYSYOKYCVHL-NXEZZACHSA-N 2 2 239.750 2.725 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]CC2CCCCC2)CCC[N@@H+]1C ZINC000309367908 385555630 /nfs/dbraw/zinc/55/56/30/385555630.db2.gz BMPJGQMEGIDDGI-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]CC2CCCCC2)CCC[N@H+]1C ZINC000309367908 385555632 /nfs/dbraw/zinc/55/56/32/385555632.db2.gz BMPJGQMEGIDDGI-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1[C@H]([NH2+]CC2CCCCC2)CCC[N@@H+]1C ZINC000309367909 385555781 /nfs/dbraw/zinc/55/57/81/385555781.db2.gz BMPJGQMEGIDDGI-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1[C@H]([NH2+]CC2CCCCC2)CCC[N@H+]1C ZINC000309367909 385555784 /nfs/dbraw/zinc/55/57/84/385555784.db2.gz BMPJGQMEGIDDGI-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C[N@@H+]1C1CC1 ZINC000337373135 385628303 /nfs/dbraw/zinc/62/83/03/385628303.db2.gz DXXVGEQTNDTCBW-QUEVPRLRSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C[N@H+]1C1CC1 ZINC000337373135 385628310 /nfs/dbraw/zinc/62/83/10/385628310.db2.gz DXXVGEQTNDTCBW-QUEVPRLRSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC000063192110 385610348 /nfs/dbraw/zinc/61/03/48/385610348.db2.gz RSSKHDXYRINQQD-RYUDHWBXSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC000063192110 385610353 /nfs/dbraw/zinc/61/03/53/385610353.db2.gz RSSKHDXYRINQQD-RYUDHWBXSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC12CCC2 ZINC000337409906 385641599 /nfs/dbraw/zinc/64/15/99/385641599.db2.gz VMPMPIDIHMDBOS-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cc[nH+]c(NCCc2cc[nH+]cc2C)c1 ZINC000269926958 385648074 /nfs/dbraw/zinc/64/80/74/385648074.db2.gz CDBCWSJYSYZSHQ-UHFFFAOYSA-N 2 2 227.311 2.748 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000302520837 385688482 /nfs/dbraw/zinc/68/84/82/385688482.db2.gz DPVOAFHGRDJKAT-CQSZACIVSA-N 2 2 240.435 2.989 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]CC(C(C)C)C(C)C)C1 ZINC000302520837 385688484 /nfs/dbraw/zinc/68/84/84/385688484.db2.gz DPVOAFHGRDJKAT-CQSZACIVSA-N 2 2 240.435 2.989 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000414533015 385688879 /nfs/dbraw/zinc/68/88/79/385688879.db2.gz AYOOUIMWUBDPHN-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc3ccoc32)C1 ZINC000414533015 385688883 /nfs/dbraw/zinc/68/88/83/385688883.db2.gz AYOOUIMWUBDPHN-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000182615984 385689232 /nfs/dbraw/zinc/68/92/32/385689232.db2.gz KHJVJALUQJKMIQ-UHFFFAOYSA-N 2 2 243.354 2.795 20 0 BFADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1 ZINC000182615984 385689237 /nfs/dbraw/zinc/68/92/37/385689237.db2.gz KHJVJALUQJKMIQ-UHFFFAOYSA-N 2 2 243.354 2.795 20 0 BFADLP CC(C)C[C@H]([NH3+])CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414854153 385691658 /nfs/dbraw/zinc/69/16/58/385691658.db2.gz UAGBPMCPPBCDGI-ZDUSSCGKSA-N 2 2 247.386 2.830 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC12CCC2 ZINC000282208129 385740904 /nfs/dbraw/zinc/74/09/04/385740904.db2.gz OGPYYSYPYREABC-AWEZNQCLSA-N 2 2 230.355 2.855 20 0 BFADLP CC(C)C1(C)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000186197033 385747174 /nfs/dbraw/zinc/74/71/74/385747174.db2.gz CFLUIBUPWWRLHH-UHFFFAOYSA-N 2 2 235.375 2.641 20 0 BFADLP CCCC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000183464466 385762967 /nfs/dbraw/zinc/76/29/67/385762967.db2.gz FTQYNVBALDLXOZ-UHFFFAOYSA-N 2 2 217.316 2.566 20 0 BFADLP CCCC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000183464466 385762971 /nfs/dbraw/zinc/76/29/71/385762971.db2.gz FTQYNVBALDLXOZ-UHFFFAOYSA-N 2 2 217.316 2.566 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282681782 385780086 /nfs/dbraw/zinc/78/00/86/385780086.db2.gz ACNMZQRKXBUCPJ-XRGAULLZSA-N 2 2 246.398 2.718 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H]1C[C@@H]1C ZINC000488467760 385809766 /nfs/dbraw/zinc/80/97/66/385809766.db2.gz XGCJINPHQSUDAG-AAEUAGOBSA-N 2 2 243.354 2.590 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000414951673 385822322 /nfs/dbraw/zinc/82/23/22/385822322.db2.gz HYQAIKROFZVCRI-SECBINFHSA-N 2 2 244.741 2.567 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221936130 385822759 /nfs/dbraw/zinc/82/27/59/385822759.db2.gz FHDUPPCFWLHIQE-FRRDWIJNSA-N 2 2 224.392 2.780 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221936130 385822763 /nfs/dbraw/zinc/82/27/63/385822763.db2.gz FHDUPPCFWLHIQE-FRRDWIJNSA-N 2 2 224.392 2.780 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CCC1 ZINC000414953011 385828231 /nfs/dbraw/zinc/82/82/31/385828231.db2.gz JESDYQQHMANZQQ-BLLLJJGKSA-N 2 2 244.382 2.652 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000112675601 385840607 /nfs/dbraw/zinc/84/06/07/385840607.db2.gz JIJWBKCIZPOROM-QWHCGFSZSA-N 2 2 221.348 2.714 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000112675595 385841831 /nfs/dbraw/zinc/84/18/31/385841831.db2.gz JIJWBKCIZPOROM-STQMWFEESA-N 2 2 221.348 2.714 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000414956526 385846136 /nfs/dbraw/zinc/84/61/36/385846136.db2.gz NKTCKWAHAIVDCU-LLVKDONJSA-N 2 2 240.778 2.736 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)Cc1occc1C ZINC000271138832 385792571 /nfs/dbraw/zinc/79/25/71/385792571.db2.gz BJFUKBIYGQLYBI-UHFFFAOYSA-N 2 2 238.375 2.752 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)Cc1occc1C ZINC000271138832 385792577 /nfs/dbraw/zinc/79/25/77/385792577.db2.gz BJFUKBIYGQLYBI-UHFFFAOYSA-N 2 2 238.375 2.752 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414965533 385905066 /nfs/dbraw/zinc/90/50/66/385905066.db2.gz ZRXBSFMMGQRYJZ-MLGOLLRUSA-N 2 2 244.382 2.652 20 0 BFADLP CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C(C)(C)C ZINC000414130686 385978213 /nfs/dbraw/zinc/97/82/13/385978213.db2.gz XJWQPMDPJKCRFQ-CYBMUJFWSA-N 2 2 237.391 2.767 20 0 BFADLP CN(C)c1cc[nH+]cc1C[NH2+]CC1=CCCCC1 ZINC000295171154 385984505 /nfs/dbraw/zinc/98/45/05/385984505.db2.gz UISLMSCFYCAFCG-UHFFFAOYSA-N 2 2 245.370 2.738 20 0 BFADLP Cc1ccnc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c1 ZINC000285822606 385969510 /nfs/dbraw/zinc/96/95/10/385969510.db2.gz WLXWLJQKNXTTGH-CYBMUJFWSA-N 2 2 249.402 2.628 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000336770141 386004032 /nfs/dbraw/zinc/00/40/32/386004032.db2.gz WGXLVNXGCZYYQK-RYUDHWBXSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@H](C)C[NH+](C)C ZINC000336770143 386004113 /nfs/dbraw/zinc/00/41/13/386004113.db2.gz WGXLVNXGCZYYQK-VXGBXAGGSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1C[C@H]1C ZINC000414112943 386006173 /nfs/dbraw/zinc/00/61/73/386006173.db2.gz AKISUOZBFNAGKI-GBOPCIDUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@H]1C[C@H]1C ZINC000414112943 386006175 /nfs/dbraw/zinc/00/61/75/386006175.db2.gz AKISUOZBFNAGKI-GBOPCIDUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)C1CCCC1 ZINC000336751364 386008164 /nfs/dbraw/zinc/00/81/64/386008164.db2.gz VDLUIUNBPKHJCD-SGMGOOAPSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)C1CCCC1 ZINC000336751364 386008171 /nfs/dbraw/zinc/00/81/71/386008171.db2.gz VDLUIUNBPKHJCD-SGMGOOAPSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C)CCC2 ZINC000414120102 386013360 /nfs/dbraw/zinc/01/33/60/386013360.db2.gz XFNVQAVYTKYAEK-RUZUBIRVSA-N 2 2 247.386 2.703 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000335060388 386023849 /nfs/dbraw/zinc/02/38/49/386023849.db2.gz HLDAUMBYHYEAFD-RISCZKNCSA-N 2 2 236.334 2.618 20 0 BFADLP Cc1ccc(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000525800533 386026007 /nfs/dbraw/zinc/02/60/07/386026007.db2.gz IKXPFFZVQJSSFR-CQSZACIVSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1ccc(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c(C)c1 ZINC000525800533 386026016 /nfs/dbraw/zinc/02/60/16/386026016.db2.gz IKXPFFZVQJSSFR-CQSZACIVSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@@H](C)CC2)n1C ZINC000518797329 386030628 /nfs/dbraw/zinc/03/06/28/386030628.db2.gz RMBZAPSYSQDCBD-YPMHNXCESA-N 2 2 235.375 2.787 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000286932502 386083361 /nfs/dbraw/zinc/08/33/61/386083361.db2.gz GIAOXMDOEUNMKT-SDADXPQNSA-N 2 2 246.398 2.718 20 0 BFADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[NH+](C)C ZINC000021962909 386090235 /nfs/dbraw/zinc/09/02/35/386090235.db2.gz OKFNZCAHKQXSNY-MCIONIFRSA-N 2 2 226.408 2.598 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@H](C)c1ccccc1 ZINC000287031149 386091239 /nfs/dbraw/zinc/09/12/39/386091239.db2.gz LUWCCZPJMSFBLE-MELADBBJSA-N 2 2 234.387 2.718 20 0 BFADLP CC[C@H](F)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000440783069 386151650 /nfs/dbraw/zinc/15/16/50/386151650.db2.gz KNMVPBVLEGDWOB-AGIUHOORSA-N 2 2 239.338 2.514 20 0 BFADLP CC[C@H](F)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000440783069 386151654 /nfs/dbraw/zinc/15/16/54/386151654.db2.gz KNMVPBVLEGDWOB-AGIUHOORSA-N 2 2 239.338 2.514 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCC=C(C)C)C1 ZINC000414351388 386153822 /nfs/dbraw/zinc/15/38/22/386153822.db2.gz VSBRRYADTMGLBG-ZIAGYGMSSA-N 2 2 224.392 2.805 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCC=C(C)C)C1 ZINC000414351388 386153838 /nfs/dbraw/zinc/15/38/38/386153838.db2.gz VSBRRYADTMGLBG-ZIAGYGMSSA-N 2 2 224.392 2.805 20 0 BFADLP CC[C@]1(C)CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414694375 386190417 /nfs/dbraw/zinc/19/04/17/386190417.db2.gz FVKGIQGXHDFTDJ-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@]1(C)CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414694375 386190422 /nfs/dbraw/zinc/19/04/22/386190422.db2.gz FVKGIQGXHDFTDJ-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC[NH+](CC)Cc1cc(-n2cc[nH+]c2)cs1 ZINC000346137027 386164854 /nfs/dbraw/zinc/16/48/54/386164854.db2.gz QSNRICNVJOJKOK-UHFFFAOYSA-N 2 2 235.356 2.776 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000414686369 386175278 /nfs/dbraw/zinc/17/52/78/386175278.db2.gz AHALCMRITCABOQ-CHWSQXEVSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000414686369 386175281 /nfs/dbraw/zinc/17/52/81/386175281.db2.gz AHALCMRITCABOQ-CHWSQXEVSA-N 2 2 226.408 2.870 20 0 BFADLP CC[N@H+](CC[NH2+]C(C)(C)C)CCc1ccccc1 ZINC000414703109 386211059 /nfs/dbraw/zinc/21/10/59/386211059.db2.gz LSJQTFMKBYCWRX-UHFFFAOYSA-N 2 2 248.414 2.939 20 0 BFADLP CC[N@@H+](CC[NH2+]C(C)(C)C)CCc1ccccc1 ZINC000414703109 386211063 /nfs/dbraw/zinc/21/10/63/386211063.db2.gz LSJQTFMKBYCWRX-UHFFFAOYSA-N 2 2 248.414 2.939 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000414709334 386223266 /nfs/dbraw/zinc/22/32/66/386223266.db2.gz QXJJUCDWBXXNIO-BBRMVZONSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000414709334 386223270 /nfs/dbraw/zinc/22/32/70/386223270.db2.gz QXJJUCDWBXXNIO-BBRMVZONSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C(C)C)C1CCC1 ZINC000414715227 386236696 /nfs/dbraw/zinc/23/66/96/386236696.db2.gz WFRWZHRKYSQQCG-LBPRGKRZSA-N 2 2 212.381 2.623 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C(C)C)C1CCC1 ZINC000414715227 386236698 /nfs/dbraw/zinc/23/66/98/386236698.db2.gz WFRWZHRKYSQQCG-LBPRGKRZSA-N 2 2 212.381 2.623 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)[NH+](C)C ZINC000638349510 386239203 /nfs/dbraw/zinc/23/92/03/386239203.db2.gz OIICBZHLPALPGY-QJPTWQEYSA-N 2 2 248.361 2.596 20 0 BFADLP Cc1cc(C[N@@H+]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000347084479 386242814 /nfs/dbraw/zinc/24/28/14/386242814.db2.gz CATZORUVYDLFAR-LBPRGKRZSA-N 2 2 238.762 2.572 20 0 BFADLP Cc1cc(C[N@H+]2CCC[C@H]2C[NH3+])ccc1Cl ZINC000347084479 386242821 /nfs/dbraw/zinc/24/28/21/386242821.db2.gz CATZORUVYDLFAR-LBPRGKRZSA-N 2 2 238.762 2.572 20 0 BFADLP CC[N@H+](C)CC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000300012621 386198673 /nfs/dbraw/zinc/19/86/73/386198673.db2.gz RZEUNWKDIZRJBG-GXTWGEPZSA-N 2 2 224.392 2.520 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000300012621 386198678 /nfs/dbraw/zinc/19/86/78/386198678.db2.gz RZEUNWKDIZRJBG-GXTWGEPZSA-N 2 2 224.392 2.520 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H]1C ZINC000353594406 386282031 /nfs/dbraw/zinc/28/20/31/386282031.db2.gz GJSAHWHRNXSSBQ-XQHKEYJVSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H]1C ZINC000353594406 386282038 /nfs/dbraw/zinc/28/20/38/386282038.db2.gz GJSAHWHRNXSSBQ-XQHKEYJVSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)Cc1ccccc1 ZINC000347316397 386356541 /nfs/dbraw/zinc/35/65/41/386356541.db2.gz DYUWOSURQSYHFF-CQSZACIVSA-N 2 2 248.414 2.795 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H]1C ZINC000290065103 386389314 /nfs/dbraw/zinc/38/93/14/386389314.db2.gz PPGGCAMHOJZFHT-CYBMUJFWSA-N 2 2 218.344 2.807 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H]1C ZINC000290065103 386389323 /nfs/dbraw/zinc/38/93/23/386389323.db2.gz PPGGCAMHOJZFHT-CYBMUJFWSA-N 2 2 218.344 2.807 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](CC1CCC1)C(C)C ZINC000414754146 386392220 /nfs/dbraw/zinc/39/22/20/386392220.db2.gz FSTNZIPSJFLPCN-CQSZACIVSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](CC1CCC1)C(C)C ZINC000414754146 386392224 /nfs/dbraw/zinc/39/22/24/386392224.db2.gz FSTNZIPSJFLPCN-CQSZACIVSA-N 2 2 226.408 2.870 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000527355075 386415273 /nfs/dbraw/zinc/41/52/73/386415273.db2.gz QINAVQZUNGEDHA-ILXRZTDVSA-N 2 2 238.419 2.744 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000527355075 386415280 /nfs/dbraw/zinc/41/52/80/386415280.db2.gz QINAVQZUNGEDHA-ILXRZTDVSA-N 2 2 238.419 2.744 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1C ZINC000415042894 386529126 /nfs/dbraw/zinc/52/91/26/386529126.db2.gz QWUBKJFNYYODDP-CQSZACIVSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417351535 386491098 /nfs/dbraw/zinc/49/10/98/386491098.db2.gz CYJFVKHMUYEJPE-DOMZBBRYSA-N 2 2 244.382 2.604 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417354549 386493009 /nfs/dbraw/zinc/49/30/09/386493009.db2.gz MENFKYFEQGBFLD-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417356701 386493347 /nfs/dbraw/zinc/49/33/47/386493347.db2.gz PVZZBXXJVCSZGS-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000415049471 386504768 /nfs/dbraw/zinc/50/47/68/386504768.db2.gz YDEWRYBEPJLHES-VQTKUKTRSA-N 2 2 248.345 2.569 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1C ZINC000415030511 386518651 /nfs/dbraw/zinc/51/86/51/386518651.db2.gz COFASLDSCWPWOH-AWEZNQCLSA-N 2 2 232.371 2.534 20 0 BFADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000417702229 386580244 /nfs/dbraw/zinc/58/02/44/386580244.db2.gz OUKBVJJVYRFGMG-HNNXBMFYSA-N 2 2 241.338 2.850 20 0 BFADLP CCn1c[nH+]cc1C[N@H+]1CC[C@H]1c1ccccc1 ZINC000417702229 386580253 /nfs/dbraw/zinc/58/02/53/386580253.db2.gz OUKBVJJVYRFGMG-HNNXBMFYSA-N 2 2 241.338 2.850 20 0 BFADLP CC(C)([NH3+])C[NH2+]Cc1cccc(Cl)c1Cl ZINC000414799266 386590680 /nfs/dbraw/zinc/59/06/80/386590680.db2.gz GLKXQAYKQKUPHU-UHFFFAOYSA-N 2 2 247.169 2.820 20 0 BFADLP C[NH2+]CCC[NH2+]C1(c2ccccc2Cl)CC1 ZINC000647995421 386538255 /nfs/dbraw/zinc/53/82/55/386538255.db2.gz WFHZOQGIYLDQQV-UHFFFAOYSA-N 2 2 238.762 2.528 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1F ZINC000414789711 386539784 /nfs/dbraw/zinc/53/97/84/386539784.db2.gz FUGYADJCPIOZEH-GFCCVEGCSA-N 2 2 244.741 2.552 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000063191488 386552372 /nfs/dbraw/zinc/55/23/72/386552372.db2.gz GHDJLQPJIYYEJQ-SMDDNHRTSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000063191488 386552379 /nfs/dbraw/zinc/55/23/79/386552379.db2.gz GHDJLQPJIYYEJQ-SMDDNHRTSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000063195766 386553872 /nfs/dbraw/zinc/55/38/72/386553872.db2.gz ZMGBPGNHGOCJPQ-HWHJAYSBSA-N 2 2 244.382 2.902 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1 ZINC000063195766 386553876 /nfs/dbraw/zinc/55/38/76/386553876.db2.gz ZMGBPGNHGOCJPQ-HWHJAYSBSA-N 2 2 244.382 2.902 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000123600866 386558477 /nfs/dbraw/zinc/55/84/77/386558477.db2.gz CASBHDPPEITTDO-GFCCVEGCSA-N 2 2 244.338 2.664 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000123600866 386558482 /nfs/dbraw/zinc/55/84/82/386558482.db2.gz CASBHDPPEITTDO-GFCCVEGCSA-N 2 2 244.338 2.664 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]CC(C)(C)C ZINC000415072362 386562351 /nfs/dbraw/zinc/56/23/51/386562351.db2.gz XYCAPICTSMNIDI-AWEZNQCLSA-N 2 2 234.387 2.885 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC000335498162 386622609 /nfs/dbraw/zinc/62/26/09/386622609.db2.gz DZNMYOMMKPXYIL-SMDDNHRTSA-N 2 2 236.334 2.618 20 0 BFADLP CC(C)C[C@H](C)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000337198612 386647915 /nfs/dbraw/zinc/64/79/15/386647915.db2.gz ZTIJAZRFRVFFSB-AWEZNQCLSA-N 2 2 237.391 2.887 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000337198612 386647916 /nfs/dbraw/zinc/64/79/16/386647916.db2.gz ZTIJAZRFRVFFSB-AWEZNQCLSA-N 2 2 237.391 2.887 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)CCc1ccc(Cl)s1 ZINC000414820314 386665894 /nfs/dbraw/zinc/66/58/94/386665894.db2.gz CERVEAFFHCEDFA-SECBINFHSA-N 2 2 246.807 2.532 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000414821989 386670324 /nfs/dbraw/zinc/67/03/24/386670324.db2.gz FWPWCRQMSYKMLC-UHFFFAOYSA-N 2 2 240.416 2.745 20 0 BFADLP C[C@H](Cc1ccsc1)[NH2+]C(C)(C)C[NH+](C)C ZINC000520344292 386656763 /nfs/dbraw/zinc/65/67/63/386656763.db2.gz GBAHNEDYUFFPAX-LLVKDONJSA-N 2 2 240.416 2.609 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000414830893 386710888 /nfs/dbraw/zinc/71/08/88/386710888.db2.gz MKVRTDUEHGWZHA-SNPRPXQTSA-N 2 2 232.371 2.855 20 0 BFADLP CC(C)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043326140 386702903 /nfs/dbraw/zinc/70/29/03/386702903.db2.gz AUROCZGUZLNTHN-LSDHHAIUSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)[NH+](C)C ZINC000268834105 386703131 /nfs/dbraw/zinc/70/31/31/386703131.db2.gz DAGVQSDQGGLSLD-CJNGLKHVSA-N 2 2 246.398 2.547 20 0 BFADLP CC[C@@]1(C)CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000520603776 386703874 /nfs/dbraw/zinc/70/38/74/386703874.db2.gz AQQGMGFTKDWKCG-HNNXBMFYSA-N 2 2 249.402 2.865 20 0 BFADLP CC[C@@]1(C)CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000520603776 386703883 /nfs/dbraw/zinc/70/38/83/386703883.db2.gz AQQGMGFTKDWKCG-HNNXBMFYSA-N 2 2 249.402 2.865 20 0 BFADLP CC[C@]1(C)CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000520603777 386705627 /nfs/dbraw/zinc/70/56/27/386705627.db2.gz AQQGMGFTKDWKCG-OAHLLOKOSA-N 2 2 249.402 2.865 20 0 BFADLP CC[C@]1(C)CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000520603777 386705628 /nfs/dbraw/zinc/70/56/28/386705628.db2.gz AQQGMGFTKDWKCG-OAHLLOKOSA-N 2 2 249.402 2.865 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)c1 ZINC000043327167 386705862 /nfs/dbraw/zinc/70/58/62/386705862.db2.gz FPTSBPOAIDGOQA-KGLIPLIRSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000414830896 386708781 /nfs/dbraw/zinc/70/87/81/386708781.db2.gz MKVRTDUEHGWZHA-VHDGCEQUSA-N 2 2 232.371 2.855 20 0 BFADLP [NH3+]C1(C[NH2+]Cc2ccccc2F)CCCCC1 ZINC000414833938 386730729 /nfs/dbraw/zinc/73/07/29/386730729.db2.gz BNKUVCVUJDZZHM-UHFFFAOYSA-N 2 2 236.334 2.577 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC(C)(C)C2)CCC1 ZINC000165141292 386757517 /nfs/dbraw/zinc/75/75/17/386757517.db2.gz CBMIGBWSKWEOMR-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C[N@@H+]1C1CC1 ZINC000122316501 386743449 /nfs/dbraw/zinc/74/34/49/386743449.db2.gz QHMSEPSBERRLDB-RISCZKNCSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C[N@H+]1C1CC1 ZINC000122316501 386743453 /nfs/dbraw/zinc/74/34/53/386743453.db2.gz QHMSEPSBERRLDB-RISCZKNCSA-N 2 2 248.345 2.541 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CCCCF ZINC000336671646 386818025 /nfs/dbraw/zinc/81/80/25/386818025.db2.gz APVRSNWRDWZZBF-UHFFFAOYSA-N 2 2 224.323 2.662 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000334760367 386819590 /nfs/dbraw/zinc/81/95/90/386819590.db2.gz BSBVUTYKPGZZEC-AAEUAGOBSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000334760367 386819592 /nfs/dbraw/zinc/81/95/92/386819592.db2.gz BSBVUTYKPGZZEC-AAEUAGOBSA-N 2 2 247.386 2.825 20 0 BFADLP C[NH+]1CCC([NH2+]Cc2sccc2Cl)CC1 ZINC000192984356 386805192 /nfs/dbraw/zinc/80/51/92/386805192.db2.gz RVQXTKDIQMSKBM-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP CCCc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414939769 386864450 /nfs/dbraw/zinc/86/44/50/386864450.db2.gz XDICLBHPURURSH-CZUORRHYSA-N 2 2 246.398 2.727 20 0 BFADLP Cc1occc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000334848610 386896656 /nfs/dbraw/zinc/89/66/56/386896656.db2.gz MXAMMRPVPJVAEA-UHFFFAOYSA-N 2 2 245.326 2.691 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2ccsc2Cl)CC[NH2+]1 ZINC000334868846 386928496 /nfs/dbraw/zinc/92/84/96/386928496.db2.gz MUWSOBQUJORPDQ-WCBMZHEXSA-N 2 2 244.791 2.632 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000334873300 386935618 /nfs/dbraw/zinc/93/56/18/386935618.db2.gz GUNDHUJLWKLGSA-AWEZNQCLSA-N 2 2 244.338 2.663 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1([NH+](C)C)CC1 ZINC000418116577 386944245 /nfs/dbraw/zinc/94/42/45/386944245.db2.gz QZCKHGPHWOKQPK-UONOGXRCSA-N 2 2 236.403 2.663 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000104220344 386999935 /nfs/dbraw/zinc/99/99/35/386999935.db2.gz NKMJTPQPGFMBIS-GFCCVEGCSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1csc2ccccc12 ZINC000104220344 386999943 /nfs/dbraw/zinc/99/99/43/386999943.db2.gz NKMJTPQPGFMBIS-GFCCVEGCSA-N 2 2 246.379 2.824 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000334976973 387063603 /nfs/dbraw/zinc/06/36/03/387063603.db2.gz HXKNQVHRQZAIEU-CYBMUJFWSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000334976973 387063605 /nfs/dbraw/zinc/06/36/05/387063605.db2.gz HXKNQVHRQZAIEU-CYBMUJFWSA-N 2 2 247.386 2.704 20 0 BFADLP CC(C)CCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000368921416 387020655 /nfs/dbraw/zinc/02/06/55/387020655.db2.gz OWTZDSIXYMOJSV-HNNXBMFYSA-N 2 2 238.419 2.983 20 0 BFADLP CC(C)CCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000368921416 387020658 /nfs/dbraw/zinc/02/06/58/387020658.db2.gz OWTZDSIXYMOJSV-HNNXBMFYSA-N 2 2 238.419 2.983 20 0 BFADLP C[N@H+](Cc1csc2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000111234690 387071351 /nfs/dbraw/zinc/07/13/51/387071351.db2.gz YDSNNNBPLZCREX-GFCCVEGCSA-N 2 2 246.379 2.695 20 0 BFADLP C[N@@H+](Cc1csc2ccccc12)[C@@H]1CC[NH2+]C1 ZINC000111234690 387071354 /nfs/dbraw/zinc/07/13/54/387071354.db2.gz YDSNNNBPLZCREX-GFCCVEGCSA-N 2 2 246.379 2.695 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246321266 387071689 /nfs/dbraw/zinc/07/16/89/387071689.db2.gz WZKDYYFKQVWGEK-ZNMIVQPWSA-N 2 2 238.419 2.980 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246321266 387071694 /nfs/dbraw/zinc/07/16/94/387071694.db2.gz WZKDYYFKQVWGEK-ZNMIVQPWSA-N 2 2 238.419 2.980 20 0 BFADLP CC[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246321266 387071701 /nfs/dbraw/zinc/07/17/01/387071701.db2.gz WZKDYYFKQVWGEK-ZNMIVQPWSA-N 2 2 238.419 2.980 20 0 BFADLP CC[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246321266 387071704 /nfs/dbraw/zinc/07/17/04/387071704.db2.gz WZKDYYFKQVWGEK-ZNMIVQPWSA-N 2 2 238.419 2.980 20 0 BFADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000020506149 387103710 /nfs/dbraw/zinc/10/37/10/387103710.db2.gz JRSSAHVOLZRELL-GFCCVEGCSA-N 2 2 247.317 2.763 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2occc21 ZINC000423298851 387129836 /nfs/dbraw/zinc/12/98/36/387129836.db2.gz OZGDJEPPUHYHNN-WCQYABFASA-N 2 2 236.359 2.764 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc(C)ccc1C ZINC000423308738 387144447 /nfs/dbraw/zinc/14/44/47/387144447.db2.gz JWLPECZILQKZPK-CQSZACIVSA-N 2 2 234.387 2.954 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423312159 387148549 /nfs/dbraw/zinc/14/85/49/387148549.db2.gz RIMBACUCWYSROU-HNNXBMFYSA-N 2 2 247.386 2.512 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](CC)c1cccs1 ZINC000423316837 387156877 /nfs/dbraw/zinc/15/68/77/387156877.db2.gz YGTIGNREIUTREU-LLVKDONJSA-N 2 2 226.389 2.788 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1csc(Cl)c1 ZINC000423315939 387157696 /nfs/dbraw/zinc/15/76/96/387157696.db2.gz JHOCGDPOYIISKR-GMSGAONNSA-N 2 2 244.791 2.789 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cc2ccccc2o1 ZINC000423318280 387160091 /nfs/dbraw/zinc/16/00/91/387160091.db2.gz DKORPZPISNCRCC-LLVKDONJSA-N 2 2 244.338 2.965 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC23CCCC3)CCC[N@@H+]1C ZINC000353247562 387164332 /nfs/dbraw/zinc/16/43/32/387164332.db2.gz IIXHFRKIFAJASK-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC23CCCC3)CCC[N@H+]1C ZINC000353247562 387164335 /nfs/dbraw/zinc/16/43/35/387164335.db2.gz IIXHFRKIFAJASK-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000423321450 387164342 /nfs/dbraw/zinc/16/43/42/387164342.db2.gz HNZDQFRWRZJORL-NEPJUHHUSA-N 2 2 244.338 2.944 20 0 BFADLP CC[C@@H](C)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418147289 387169393 /nfs/dbraw/zinc/16/93/93/387169393.db2.gz QWFDTRGGYBAMCV-CYBMUJFWSA-N 2 2 226.408 2.839 20 0 BFADLP CC[C@@H](C)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418147289 387169399 /nfs/dbraw/zinc/16/93/99/387169399.db2.gz QWFDTRGGYBAMCV-CYBMUJFWSA-N 2 2 226.408 2.839 20 0 BFADLP CC[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccc1F ZINC000423328032 387171119 /nfs/dbraw/zinc/17/11/19/387171119.db2.gz NQJZINHHQJXAIB-ZDUSSCGKSA-N 2 2 236.334 2.748 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423329433 387172218 /nfs/dbraw/zinc/17/22/18/387172218.db2.gz SUAXVWHSXLORLX-ZWNOBZJWSA-N 2 2 244.338 2.821 20 0 BFADLP CCSc1ccccc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423328958 387172846 /nfs/dbraw/zinc/17/28/46/387172846.db2.gz OHMDVHDSVJKXJG-MNOVXSKESA-N 2 2 238.400 2.796 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423303478 387136702 /nfs/dbraw/zinc/13/67/02/387136702.db2.gz LRAYEBKBQQAXIN-SLEUVZQESA-N 2 2 230.355 2.577 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1C ZINC000423354546 387206096 /nfs/dbraw/zinc/20/60/96/387206096.db2.gz CYBJIDGETFCSFX-NOLJZWGESA-N 2 2 246.398 2.952 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000423358669 387209936 /nfs/dbraw/zinc/20/99/36/387209936.db2.gz JQLQYEDWPXGSRE-NOLJZWGESA-N 2 2 246.398 2.952 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423358330 387210866 /nfs/dbraw/zinc/21/08/66/387210866.db2.gz JMIYYMCROFDITB-OFQRWUPVSA-N 2 2 246.398 2.952 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(Cl)c1F ZINC000423372666 387226098 /nfs/dbraw/zinc/22/60/98/387226098.db2.gz RKBFGRGFTSFJJM-GZMMTYOYSA-N 2 2 244.741 2.867 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000423372097 387226504 /nfs/dbraw/zinc/22/65/04/387226504.db2.gz HWPHUIUIVVKFDU-AVRGHOLYSA-N 2 2 244.382 2.650 20 0 BFADLP C[C@H](Nc1cc(C2CC2)cc[nH+]1)c1[nH+]ccn1C ZINC000353580190 387232854 /nfs/dbraw/zinc/23/28/54/387232854.db2.gz WJOKQENDFBEORS-JTQLQIEISA-N 2 2 242.326 2.866 20 0 BFADLP CCCC1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120548311 387253837 /nfs/dbraw/zinc/25/38/37/387253837.db2.gz DHCPQKFPDWBJCJ-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CCCC1(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120548311 387253842 /nfs/dbraw/zinc/25/38/42/387253842.db2.gz DHCPQKFPDWBJCJ-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccoc1 ZINC000423420866 387251176 /nfs/dbraw/zinc/25/11/76/387251176.db2.gz BTTNGWJISNUKPX-BARDWOONSA-N 2 2 248.370 2.564 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1cccs1 ZINC000423375254 387256340 /nfs/dbraw/zinc/25/63/40/387256340.db2.gz XSLKXLJMOVVRCA-SRVKXCTJSA-N 2 2 238.400 2.787 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423375936 387257411 /nfs/dbraw/zinc/25/74/11/387257411.db2.gz YCIJCDQWGIIVNL-VNHYZAJKSA-N 2 2 232.371 2.644 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423378913 387259454 /nfs/dbraw/zinc/25/94/54/387259454.db2.gz LHDZBHJSXJUPSZ-NXEZZACHSA-N 2 2 242.313 2.613 20 0 BFADLP CSc1ccc([C@H](C)[NH2+][C@@H](C)C[NH3+])cc1F ZINC000423377650 387259617 /nfs/dbraw/zinc/25/96/17/387259617.db2.gz VXHIJDDVFMNLEQ-IUCAKERBSA-N 2 2 242.363 2.545 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(Cl)c1Cl ZINC000423380847 387261996 /nfs/dbraw/zinc/26/19/96/387261996.db2.gz YVAJBNMRCZJCLQ-JGVFFNPUSA-N 2 2 247.169 2.991 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000423383397 387265151 /nfs/dbraw/zinc/26/51/51/387265151.db2.gz PCCXTIVYRMQFHZ-HIFRSBDPSA-N 2 2 234.387 2.971 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccccc1F ZINC000423385126 387268667 /nfs/dbraw/zinc/26/86/67/387268667.db2.gz QNOUJSCBLBMRTL-BXUZGUMPSA-N 2 2 238.350 2.864 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccncc1 ZINC000423384088 387269078 /nfs/dbraw/zinc/26/90/78/387269078.db2.gz JUYPYQKTSOPDCR-JSGCOSHPSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccncc1 ZINC000423384092 387269141 /nfs/dbraw/zinc/26/91/41/387269141.db2.gz JUYPYQKTSOPDCR-TZMCWYRMSA-N 2 2 247.386 2.510 20 0 BFADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C)c1 ZINC000285534913 387270347 /nfs/dbraw/zinc/27/03/47/387270347.db2.gz FRPAPAVTISARTN-HNNXBMFYSA-N 2 2 243.354 2.932 20 0 BFADLP C[NH2+][C@H](C)C[NH2+][C@H](C)c1ccccc1SC ZINC000423392061 387276256 /nfs/dbraw/zinc/27/62/56/387276256.db2.gz OAQPFAFZQABXMB-GHMZBOCLSA-N 2 2 238.400 2.667 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1cc(F)ccc1F ZINC000423437122 387288843 /nfs/dbraw/zinc/28/88/43/387288843.db2.gz GBFRDDAMXCHSKY-ZDMBXUJBSA-N 2 2 242.313 2.741 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])C2CCC2)o1 ZINC000423453170 387301285 /nfs/dbraw/zinc/30/12/85/387301285.db2.gz XITVKCMMBYJYFN-COPLHBTASA-N 2 2 236.359 2.755 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccc(F)cc1F ZINC000423458184 387305982 /nfs/dbraw/zinc/30/59/82/387305982.db2.gz GNRADDCNSUXTPW-ZWNOBZJWSA-N 2 2 242.313 2.743 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423461013 387309119 /nfs/dbraw/zinc/30/91/19/387309119.db2.gz JFQKDPASVAWRAD-WCBMZHEXSA-N 2 2 244.741 2.867 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643503019 387367715 /nfs/dbraw/zinc/36/77/15/387367715.db2.gz YVIDVFIKDHJWQS-DVOMOZLQSA-N 2 2 244.382 2.967 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643503020 387368630 /nfs/dbraw/zinc/36/86/30/387368630.db2.gz YVIDVFIKDHJWQS-IOASZLSFSA-N 2 2 244.382 2.967 20 0 BFADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423550383 387372100 /nfs/dbraw/zinc/37/21/00/387372100.db2.gz IHZOWEDOCNIILU-ABAIWWIYSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)o1 ZINC000423497923 387340566 /nfs/dbraw/zinc/34/05/66/387340566.db2.gz ALULPDWTJJNARW-AAEUAGOBSA-N 2 2 236.359 2.756 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501159 387348942 /nfs/dbraw/zinc/34/89/42/387348942.db2.gz YJNSSPRSLKHMID-XJKSGUPXSA-N 2 2 244.382 2.714 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)CC ZINC000423515311 387349956 /nfs/dbraw/zinc/34/99/56/387349956.db2.gz XIRQTPZKFWITOS-RISCZKNCSA-N 2 2 220.360 2.637 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H](C)C2 ZINC000352725818 387462843 /nfs/dbraw/zinc/46/28/43/387462843.db2.gz RAVIPHLPFINYKU-HEHGZKQESA-N 2 2 246.398 2.768 20 0 BFADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cc2ccccc2o1 ZINC000643505926 387464452 /nfs/dbraw/zinc/46/44/52/387464452.db2.gz DRHHCPITVXIJSB-NSHDSACASA-N 2 2 244.338 2.835 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000304356607 387469402 /nfs/dbraw/zinc/46/94/02/387469402.db2.gz HJXLGOQFGRFMAX-GFCCVEGCSA-N 2 2 223.364 2.688 20 0 BFADLP Cc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643507006 387476072 /nfs/dbraw/zinc/47/60/72/387476072.db2.gz PNCKPYUOPKQFHM-INIZCTEOSA-N 2 2 244.382 2.788 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)[C@H](C)C2 ZINC000643507819 387480433 /nfs/dbraw/zinc/48/04/33/387480433.db2.gz QLIPHDJHGLFCID-MLGOLLRUSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1occc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643472200 387484754 /nfs/dbraw/zinc/48/47/54/387484754.db2.gz HAWCHJPSEWGXNG-HUUCEWRRSA-N 2 2 242.322 2.822 20 0 BFADLP C[C@@H](C[NH2+]CC1CCCCC1)[N@H+](C)C1CC1 ZINC000122193180 387486921 /nfs/dbraw/zinc/48/69/21/387486921.db2.gz RGKXQFMLCOBHQI-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]CC1CCCCC1)[N@@H+](C)C1CC1 ZINC000122193180 387486924 /nfs/dbraw/zinc/48/69/24/387486924.db2.gz RGKXQFMLCOBHQI-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000122151775 387488480 /nfs/dbraw/zinc/48/84/80/387488480.db2.gz JBSZZTOEYHARIE-STQMWFEESA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)CCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000122151775 387488481 /nfs/dbraw/zinc/48/84/81/387488481.db2.gz JBSZZTOEYHARIE-STQMWFEESA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC000375781997 387582246 /nfs/dbraw/zinc/58/22/46/387582246.db2.gz DDSNKPGNFIERRA-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]1C[C@H]([NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC000375781997 387582248 /nfs/dbraw/zinc/58/22/48/387582248.db2.gz DDSNKPGNFIERRA-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)(C)CC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000123405176 387584873 /nfs/dbraw/zinc/58/48/73/387584873.db2.gz ODUHCSMKFASFHQ-CYBMUJFWSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)(C)CC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000123405176 387584877 /nfs/dbraw/zinc/58/48/77/387584877.db2.gz ODUHCSMKFASFHQ-CYBMUJFWSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)(C)CC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000123405176 387584881 /nfs/dbraw/zinc/58/48/81/387584881.db2.gz ODUHCSMKFASFHQ-CYBMUJFWSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)(C)CC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000123405176 387584884 /nfs/dbraw/zinc/58/48/84/387584884.db2.gz ODUHCSMKFASFHQ-CYBMUJFWSA-N 2 2 224.392 2.593 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000422555099 387598846 /nfs/dbraw/zinc/59/88/46/387598846.db2.gz OHFGKJCDVJTVHN-GFCCVEGCSA-N 2 2 232.371 2.652 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cnc(C)s1 ZINC000643514495 387598954 /nfs/dbraw/zinc/59/89/54/387598954.db2.gz GYMPSWVWKCGWSF-KOLCDFICSA-N 2 2 241.404 2.620 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]CC[NH+]1CCCCCC1 ZINC000123991578 387601157 /nfs/dbraw/zinc/60/11/57/387601157.db2.gz REROCQOYTOXOJF-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@](C[NH3+])([NH2+]Cc1ccccc1Cl)C1CC1 ZINC000430579612 387629232 /nfs/dbraw/zinc/62/92/32/387629232.db2.gz CKJCJXJUMJOKTN-ZDUSSCGKSA-N 2 2 238.762 2.557 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422698005 387613672 /nfs/dbraw/zinc/61/36/72/387613672.db2.gz XENOUEFJSHGABD-UKRRQHHQSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1ccc([C@@H]([NH2+]CC[NH+](C)C)C2CC2)cc1 ZINC000037184075 387559504 /nfs/dbraw/zinc/55/95/04/387559504.db2.gz WAOYWJFSFYXBJE-OAHLLOKOSA-N 2 2 232.371 2.597 20 0 BFADLP CC(C)C[C@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000355673134 387565597 /nfs/dbraw/zinc/56/55/97/387565597.db2.gz ASKUNWYTIVWFKE-ZDUSSCGKSA-N 2 2 235.375 2.955 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000527672130 387653114 /nfs/dbraw/zinc/65/31/14/387653114.db2.gz BYEQRELRZBIABG-WDEREUQCSA-N 2 2 248.361 2.598 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000527672130 387653116 /nfs/dbraw/zinc/65/31/16/387653116.db2.gz BYEQRELRZBIABG-WDEREUQCSA-N 2 2 248.361 2.598 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000527672128 387653493 /nfs/dbraw/zinc/65/34/93/387653493.db2.gz BYEQRELRZBIABG-MNOVXSKESA-N 2 2 248.361 2.598 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000527672128 387653496 /nfs/dbraw/zinc/65/34/96/387653496.db2.gz BYEQRELRZBIABG-MNOVXSKESA-N 2 2 248.361 2.598 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527670656 387654280 /nfs/dbraw/zinc/65/42/80/387654280.db2.gz MEQNIAKDESJUCS-RPERQONWSA-N 2 2 248.414 2.636 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527670656 387654286 /nfs/dbraw/zinc/65/42/86/387654286.db2.gz MEQNIAKDESJUCS-RPERQONWSA-N 2 2 248.414 2.636 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]Cc1ccccc1)CCCC2 ZINC000376728927 387665605 /nfs/dbraw/zinc/66/56/05/387665605.db2.gz NBYWUYUXGVNCND-UHFFFAOYSA-N 2 2 241.338 2.509 20 0 BFADLP c1cn(CCC[NH2+]C2CCC3(CC3)CC2)c[nH+]1 ZINC000362926799 387675098 /nfs/dbraw/zinc/67/50/98/387675098.db2.gz CVMAQYUMCHGDON-UHFFFAOYSA-N 2 2 233.359 2.586 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC000527751691 387691363 /nfs/dbraw/zinc/69/13/63/387691363.db2.gz KMYOOVFHWKWHMZ-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC000527751691 387691371 /nfs/dbraw/zinc/69/13/71/387691371.db2.gz KMYOOVFHWKWHMZ-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527750319 387692117 /nfs/dbraw/zinc/69/21/17/387692117.db2.gz ARAOMHZJVDBDKV-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527750319 387692122 /nfs/dbraw/zinc/69/21/22/387692122.db2.gz ARAOMHZJVDBDKV-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527753269 387692227 /nfs/dbraw/zinc/69/22/27/387692227.db2.gz RXZVIAWSRCXSQD-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527753269 387692233 /nfs/dbraw/zinc/69/22/33/387692233.db2.gz RXZVIAWSRCXSQD-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CC12CC2 ZINC000527845388 387753293 /nfs/dbraw/zinc/75/32/93/387753293.db2.gz CVLQLIUCMPSTTE-IHRRRGAJSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC12CC2 ZINC000527845388 387753296 /nfs/dbraw/zinc/75/32/96/387753296.db2.gz CVLQLIUCMPSTTE-IHRRRGAJSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)[C@H]1CC12CC2 ZINC000527845387 387753600 /nfs/dbraw/zinc/75/36/00/387753600.db2.gz CVLQLIUCMPSTTE-HZSPNIEDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)[C@H]1CC12CC2 ZINC000527845387 387753604 /nfs/dbraw/zinc/75/36/04/387753604.db2.gz CVLQLIUCMPSTTE-HZSPNIEDSA-N 2 2 236.403 2.639 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)C1CCCC1 ZINC000163526224 387707242 /nfs/dbraw/zinc/70/72/42/387707242.db2.gz LYKQENBYTVIYRO-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)C1CCCC1 ZINC000163526224 387707249 /nfs/dbraw/zinc/70/72/49/387707249.db2.gz LYKQENBYTVIYRO-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP c1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000527805156 387728124 /nfs/dbraw/zinc/72/81/24/387728124.db2.gz DDMYYHCBORQDOR-INIZCTEOSA-N 2 2 244.382 2.793 20 0 BFADLP c1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527805156 387728128 /nfs/dbraw/zinc/72/81/28/387728128.db2.gz DDMYYHCBORQDOR-INIZCTEOSA-N 2 2 244.382 2.793 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000129113963 387764379 /nfs/dbraw/zinc/76/43/79/387764379.db2.gz DXAKCHBSZZVXAB-YNEHKIRRSA-N 2 2 234.343 2.557 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000129113963 387764381 /nfs/dbraw/zinc/76/43/81/387764381.db2.gz DXAKCHBSZZVXAB-YNEHKIRRSA-N 2 2 234.343 2.557 20 0 BFADLP CSc1ccc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])cc1F ZINC000643528814 387773276 /nfs/dbraw/zinc/77/32/76/387773276.db2.gz PETBILZUPNBKTR-RKDXNWHRSA-N 2 2 242.363 2.545 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CC12CC2 ZINC000527893065 387775627 /nfs/dbraw/zinc/77/56/27/387775627.db2.gz BYDVCEYWQSPEOT-CFVMTHIKSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CC12CC2 ZINC000527893065 387775632 /nfs/dbraw/zinc/77/56/32/387775632.db2.gz BYDVCEYWQSPEOT-CFVMTHIKSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000643529402 387776857 /nfs/dbraw/zinc/77/68/57/387776857.db2.gz ZINCAPZZQPXHBN-YUMQZZPRSA-N 2 2 247.169 2.991 20 0 BFADLP C[C@H]([NH2+]C1(c2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422946365 387785455 /nfs/dbraw/zinc/78/54/55/387785455.db2.gz WMYADSUMIWIHBC-ZFWWWQNUSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422980700 387790741 /nfs/dbraw/zinc/79/07/41/387790741.db2.gz QQGBZOIALORRFE-DAASWOGBSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422979973 387790944 /nfs/dbraw/zinc/79/09/44/387790944.db2.gz OCTTYCOXGJHZLL-IZBMSUHZSA-N 2 2 244.382 2.820 20 0 BFADLP CC[C@@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422980702 387792152 /nfs/dbraw/zinc/79/21/52/387792152.db2.gz QQGBZOIALORRFE-UTHSDXRISA-N 2 2 244.382 2.820 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H]1C ZINC000527997765 387805588 /nfs/dbraw/zinc/80/55/88/387805588.db2.gz AVFCESOGYDUEDG-UXOAXIEHSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)[C@@H]1C ZINC000527997765 387805593 /nfs/dbraw/zinc/80/55/93/387805593.db2.gz AVFCESOGYDUEDG-UXOAXIEHSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528002133 387808003 /nfs/dbraw/zinc/80/80/03/387808003.db2.gz PBJJRGYADAKIIS-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528002133 387808007 /nfs/dbraw/zinc/80/80/07/387808007.db2.gz PBJJRGYADAKIIS-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000528012165 387821802 /nfs/dbraw/zinc/82/18/02/387821802.db2.gz OLVQQQIVZMPZLA-CABCVRRESA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000528012165 387821808 /nfs/dbraw/zinc/82/18/08/387821808.db2.gz OLVQQQIVZMPZLA-CABCVRRESA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423047799 387858124 /nfs/dbraw/zinc/85/81/24/387858124.db2.gz HCESSVGXKUYMAI-CJNGLKHVSA-N 2 2 246.398 2.898 20 0 BFADLP Cc1ccoc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000135086057 387815550 /nfs/dbraw/zinc/81/55/50/387815550.db2.gz IHRZBPRNTKIICA-UHFFFAOYSA-N 2 2 236.359 2.550 20 0 BFADLP Cc1cc(C)c(C[NH2+]CC[NH+]2CCCC2)cc1C ZINC000034993539 177860185 /nfs/dbraw/zinc/86/01/85/177860185.db2.gz LYZBQLNYBHCVNV-UHFFFAOYSA-N 2 2 246.398 2.797 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCCCC1 ZINC000643538342 387878254 /nfs/dbraw/zinc/87/82/54/387878254.db2.gz HGKIUDUIWVMTDG-UBHSHLNASA-N 2 2 242.382 2.635 20 0 BFADLP Cc1cc(C)cc(C[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000444688593 387911233 /nfs/dbraw/zinc/91/12/33/387911233.db2.gz CBRDGKKXXYAPBB-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP Cc1cc(C)cc(C[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000444688593 387911237 /nfs/dbraw/zinc/91/12/37/387911237.db2.gz CBRDGKKXXYAPBB-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)c[nH+]c12 ZINC000424211997 387931277 /nfs/dbraw/zinc/93/12/77/387931277.db2.gz ZIMGNKSTPJSULH-CLLJXQQHSA-N 2 2 241.338 2.531 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000533038233 387924618 /nfs/dbraw/zinc/92/46/18/387924618.db2.gz IQNNYWMMFSFWFP-ILXRZTDVSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000533038233 387924623 /nfs/dbraw/zinc/92/46/23/387924623.db2.gz IQNNYWMMFSFWFP-ILXRZTDVSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226316146 387944727 /nfs/dbraw/zinc/94/47/27/387944727.db2.gz BODLAWOCOPLGSE-ZBFHGGJFSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226316146 387944731 /nfs/dbraw/zinc/94/47/31/387944731.db2.gz BODLAWOCOPLGSE-ZBFHGGJFSA-N 2 2 246.398 2.692 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]CC[N@H+](C)CC ZINC000158800783 387962195 /nfs/dbraw/zinc/96/21/95/387962195.db2.gz OPNJWOVVPNXCJT-STQMWFEESA-N 2 2 214.397 2.743 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]CC[N@@H+](C)CC ZINC000158800783 387962197 /nfs/dbraw/zinc/96/21/97/387962197.db2.gz OPNJWOVVPNXCJT-STQMWFEESA-N 2 2 214.397 2.743 20 0 BFADLP Cc1cc2cc([C@H](C)[NH2+]CC[NH3+])oc2cc1C ZINC000423179255 387965519 /nfs/dbraw/zinc/96/55/19/387965519.db2.gz JLCDHVJRAAFMKZ-NSHDSACASA-N 2 2 232.327 2.659 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@@H]1CCCC[NH2+]1 ZINC000423182325 387967406 /nfs/dbraw/zinc/96/74/06/387967406.db2.gz LNZFFYFJOLJTGB-YIYPIFLZSA-N 2 2 248.370 2.646 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@H](C)C2 ZINC000423185924 387969703 /nfs/dbraw/zinc/96/97/03/387969703.db2.gz JOACOZKOOLSHAZ-XNRPHZJLSA-N 2 2 244.382 2.570 20 0 BFADLP CCC[C@H]([NH2+]CC[N@H+](C)CC)C(C)(C)C ZINC000453079065 387979599 /nfs/dbraw/zinc/97/95/99/387979599.db2.gz OFNVMHHXYVCZPU-LBPRGKRZSA-N 2 2 214.397 2.743 20 0 BFADLP CCC[C@H]([NH2+]CC[N@@H+](C)CC)C(C)(C)C ZINC000453079065 387979601 /nfs/dbraw/zinc/97/96/01/387979601.db2.gz OFNVMHHXYVCZPU-LBPRGKRZSA-N 2 2 214.397 2.743 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000423194809 387979963 /nfs/dbraw/zinc/97/99/63/387979963.db2.gz RRKONXQNRSEBIS-FZMZJTMJSA-N 2 2 236.334 2.618 20 0 BFADLP Fc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869032 387974891 /nfs/dbraw/zinc/97/48/91/387974891.db2.gz FTQGSASMJYYCPY-UONOGXRCSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869032 387974893 /nfs/dbraw/zinc/97/48/93/387974893.db2.gz FTQGSASMJYYCPY-UONOGXRCSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000423190079 387975798 /nfs/dbraw/zinc/97/57/98/387975798.db2.gz NJUFGXCBVGCEJQ-UKRRQHHQSA-N 2 2 248.345 2.545 20 0 BFADLP CC1(C)C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423190766 387975955 /nfs/dbraw/zinc/97/59/55/387975955.db2.gz OERDRARICHPLNC-SWLSCSKDSA-N 2 2 244.382 2.751 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1C(C)(C)C ZINC000423211057 387995940 /nfs/dbraw/zinc/99/59/40/387995940.db2.gz XTTHOMAKDRAWHM-CHWSQXEVSA-N 2 2 246.398 2.997 20 0 BFADLP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424371313 387996009 /nfs/dbraw/zinc/99/60/09/387996009.db2.gz FRHKLWRPVYBKDN-IACUBPJLSA-N 2 2 248.370 2.616 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000453140555 387995131 /nfs/dbraw/zinc/99/51/31/387995131.db2.gz NJYMGGNTZHEZHL-LYRGGWFBSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H](C1CC1)C1CCC1 ZINC000453140555 387995137 /nfs/dbraw/zinc/99/51/37/387995137.db2.gz NJYMGGNTZHEZHL-LYRGGWFBSA-N 2 2 248.414 2.637 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453098573 387984470 /nfs/dbraw/zinc/98/44/70/387984470.db2.gz VDNTWOOSHDUMEM-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453098573 387984475 /nfs/dbraw/zinc/98/44/75/387984475.db2.gz VDNTWOOSHDUMEM-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccsc1 ZINC000423209993 387995733 /nfs/dbraw/zinc/99/57/33/387995733.db2.gz GNTSGPPNYSRIRR-NWDGAFQWSA-N 2 2 224.373 2.541 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453127334 387987126 /nfs/dbraw/zinc/98/71/26/387987126.db2.gz UEILHLHCUNFKGA-OAHLLOKOSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453127334 387987132 /nfs/dbraw/zinc/98/71/32/387987132.db2.gz UEILHLHCUNFKGA-OAHLLOKOSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000245982617 387998884 /nfs/dbraw/zinc/99/88/84/387998884.db2.gz HAIUJEVZCBXZJI-HZPDHXFCSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000245982617 387998889 /nfs/dbraw/zinc/99/88/89/387998889.db2.gz HAIUJEVZCBXZJI-HZPDHXFCSA-N 2 2 244.382 2.822 20 0 BFADLP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423219848 388000376 /nfs/dbraw/zinc/00/03/76/388000376.db2.gz WUZDMELKQXRBIF-RCBQFDQVSA-N 2 2 244.382 2.823 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1cc2cc(C)c(C)cc2o1 ZINC000423227602 388011067 /nfs/dbraw/zinc/01/10/67/388011067.db2.gz WIQPXRBVTNIOAS-GFCCVEGCSA-N 2 2 246.354 2.920 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C(C)(C)C ZINC000453144655 387996289 /nfs/dbraw/zinc/99/62/89/387996289.db2.gz KOMYJVJYNFTZLF-AVGNSLFASA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C(C)(C)C ZINC000453144655 387996292 /nfs/dbraw/zinc/99/62/92/387996292.db2.gz KOMYJVJYNFTZLF-AVGNSLFASA-N 2 2 226.408 2.741 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000423242326 388025770 /nfs/dbraw/zinc/02/57/70/388025770.db2.gz JFBSTCCINRSRQB-CYBMUJFWSA-N 2 2 238.762 2.526 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000156645469 388014661 /nfs/dbraw/zinc/01/46/61/388014661.db2.gz DLASSNHLXXQORP-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000156645469 388014665 /nfs/dbraw/zinc/01/46/65/388014665.db2.gz DLASSNHLXXQORP-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423229272 388015528 /nfs/dbraw/zinc/01/55/28/388015528.db2.gz AONLQLNVWORAOU-VNHYZAJKSA-N 2 2 244.382 2.885 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423235021 388018569 /nfs/dbraw/zinc/01/85/69/388018569.db2.gz AHSFCIYTAJENOX-WDEREUQCSA-N 2 2 240.778 2.641 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000423235429 388018691 /nfs/dbraw/zinc/01/86/91/388018691.db2.gz AXFFUDNLXPYZTO-CQSZACIVSA-N 2 2 238.375 2.956 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CCCC[C@H]1C ZINC000453233658 388019041 /nfs/dbraw/zinc/01/90/41/388019041.db2.gz RPPIANZBKIZFDJ-ZOBORPQBSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000423234413 388019521 /nfs/dbraw/zinc/01/95/21/388019521.db2.gz LTCYFSOPGNNWJK-VXGBXAGGSA-N 2 2 224.373 2.541 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000423235791 388021115 /nfs/dbraw/zinc/02/11/15/388021115.db2.gz BGPPGNMJEJMURQ-ZDUSSCGKSA-N 2 2 220.360 2.564 20 0 BFADLP C[NH2+]CC[NH2+][C@@H]1CC(C)(C)CCc2ccccc21 ZINC000423237779 388021296 /nfs/dbraw/zinc/02/12/96/388021296.db2.gz DUCMEFNCOJXWPP-OAHLLOKOSA-N 2 2 246.398 2.899 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000423237726 388021429 /nfs/dbraw/zinc/02/14/29/388021429.db2.gz DRHMSHIPUONVMA-LBPRGKRZSA-N 2 2 220.360 2.509 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000423252493 388033899 /nfs/dbraw/zinc/03/38/99/388033899.db2.gz XQJHHGOCNAVOLW-MRVPVSSYSA-N 2 2 232.780 2.662 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000423251833 388034094 /nfs/dbraw/zinc/03/40/94/388034094.db2.gz XCTPQBVGYNMNIF-DOMZBBRYSA-N 2 2 232.371 2.824 20 0 BFADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000423252889 388034957 /nfs/dbraw/zinc/03/49/57/388034957.db2.gz YASATBZBBRXKCY-WFASDCNBSA-N 2 2 232.371 2.855 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000423263335 388041545 /nfs/dbraw/zinc/04/15/45/388041545.db2.gz AXPMAXWTQSWZLR-ZANVPECISA-N 2 2 242.313 2.599 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000423242329 388026287 /nfs/dbraw/zinc/02/62/87/388026287.db2.gz JFIKXEAXYFUUPX-HNNXBMFYSA-N 2 2 234.387 2.973 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000246277698 388026613 /nfs/dbraw/zinc/02/66/13/388026613.db2.gz SOMROOGJUZXOTO-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000246277698 388026617 /nfs/dbraw/zinc/02/66/17/388026617.db2.gz SOMROOGJUZXOTO-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000423246540 388030088 /nfs/dbraw/zinc/03/00/88/388030088.db2.gz NSXAFHFZZHZZKA-NSHDSACASA-N 2 2 232.327 2.693 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)o1 ZINC000423271806 388050888 /nfs/dbraw/zinc/05/08/88/388050888.db2.gz YFBNTVZSBCAQKT-NWDGAFQWSA-N 2 2 238.375 2.866 20 0 BFADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423272155 388051667 /nfs/dbraw/zinc/05/16/67/388051667.db2.gz YUNYXGXWYUBYFA-TZMCWYRMSA-N 2 2 249.402 2.668 20 0 BFADLP CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccccc1F ZINC000423272645 388052635 /nfs/dbraw/zinc/05/26/35/388052635.db2.gz JZJULLMMACXSOC-KBPBESRZSA-N 2 2 238.350 2.850 20 0 BFADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1Cl ZINC000423274748 388055654 /nfs/dbraw/zinc/05/56/54/388055654.db2.gz KYKVALFBMAXWMZ-RNCFNFMXSA-N 2 2 238.762 2.728 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000083701629 388059074 /nfs/dbraw/zinc/05/90/74/388059074.db2.gz GIVUUGVMTDBFHG-RDBSUJKOSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000083701629 388059077 /nfs/dbraw/zinc/05/90/77/388059077.db2.gz GIVUUGVMTDBFHG-RDBSUJKOSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423280353 388062059 /nfs/dbraw/zinc/06/20/59/388062059.db2.gz TXXKTRJMAAPTJL-TVQRCGJNSA-N 2 2 242.313 2.599 20 0 BFADLP CC(C)C[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccccn1 ZINC000423280680 388062682 /nfs/dbraw/zinc/06/26/82/388062682.db2.gz UHWZECTWNHLSIM-UKRRQHHQSA-N 2 2 249.402 2.742 20 0 BFADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1Cl ZINC000423281169 388064378 /nfs/dbraw/zinc/06/43/78/388064378.db2.gz APRPUOKBPURWLF-QMMMGPOBSA-N 2 2 244.741 2.867 20 0 BFADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000453386604 388067311 /nfs/dbraw/zinc/06/73/11/388067311.db2.gz DULDBXCVLVIMRP-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000453386604 388067313 /nfs/dbraw/zinc/06/73/13/388067313.db2.gz DULDBXCVLVIMRP-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000084342742 388076359 /nfs/dbraw/zinc/07/63/59/388076359.db2.gz YWRXFSBYLIUUGI-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000084342742 388076361 /nfs/dbraw/zinc/07/63/61/388076361.db2.gz YWRXFSBYLIUUGI-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1C ZINC000084517052 388079115 /nfs/dbraw/zinc/07/91/15/388079115.db2.gz RZNIPZITBZBPGY-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP Cc1cc(C)c(C[N@H+]2CCC[C@H]([NH3+])C2)cc1C ZINC000084517052 388079117 /nfs/dbraw/zinc/07/91/17/388079117.db2.gz RZNIPZITBZBPGY-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC000447576783 388079704 /nfs/dbraw/zinc/07/97/04/388079704.db2.gz CHCDXHOJUUGTTP-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000447576783 388079707 /nfs/dbraw/zinc/07/97/07/388079707.db2.gz CHCDXHOJUUGTTP-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)[C@H](C)C1 ZINC000085099394 388083617 /nfs/dbraw/zinc/08/36/17/388083617.db2.gz KCIDHOAEMJOQDE-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cc[nH+]c(NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000447808886 388093685 /nfs/dbraw/zinc/09/36/85/388093685.db2.gz YYSSYOYOKPUBBW-CYBMUJFWSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cc[nH+]c(NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000447808886 388093688 /nfs/dbraw/zinc/09/36/88/388093688.db2.gz YYSSYOYOKPUBBW-CYBMUJFWSA-N 2 2 247.386 2.922 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000086727029 388107635 /nfs/dbraw/zinc/10/76/35/388107635.db2.gz PVBGFLSNWNDYAS-STQMWFEESA-N 2 2 238.762 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000206167481 388047996 /nfs/dbraw/zinc/04/79/96/388047996.db2.gz ODZIMJLCSOJDAI-CXSQMQJXSA-N 2 2 244.382 2.774 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000206167481 388048005 /nfs/dbraw/zinc/04/80/05/388048005.db2.gz ODZIMJLCSOJDAI-CXSQMQJXSA-N 2 2 244.382 2.774 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000449196438 388156139 /nfs/dbraw/zinc/15/61/39/388156139.db2.gz SELDMNIMOBJPGS-BPLDGKMQSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000449196438 388156140 /nfs/dbraw/zinc/15/61/40/388156140.db2.gz SELDMNIMOBJPGS-BPLDGKMQSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000449233380 388160481 /nfs/dbraw/zinc/16/04/81/388160481.db2.gz LHHCNYDIYLKRKW-JHJVBQTASA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000449233380 388160483 /nfs/dbraw/zinc/16/04/83/388160483.db2.gz LHHCNYDIYLKRKW-JHJVBQTASA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000449260604 388164100 /nfs/dbraw/zinc/16/41/00/388164100.db2.gz XECVCGFREKYAMK-KBPBESRZSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@H]([NH2+]C[C@H]1C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000488511774 388183088 /nfs/dbraw/zinc/18/30/88/388183088.db2.gz HLJFEXQNUNFTKX-OCVGTWLNSA-N 2 2 246.398 2.923 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CCCC1 ZINC000449186097 388154966 /nfs/dbraw/zinc/15/49/66/388154966.db2.gz HILDDICTQOCSPU-QEJZJMRPSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CCCC1 ZINC000449186097 388154967 /nfs/dbraw/zinc/15/49/67/388154967.db2.gz HILDDICTQOCSPU-QEJZJMRPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@H](C)[NH+](C)C ZINC000449558612 388228547 /nfs/dbraw/zinc/22/85/47/388228547.db2.gz YOJXBLQDCVFGOI-FRRDWIJNSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)[NH+](C)C ZINC000449558586 388231630 /nfs/dbraw/zinc/23/16/30/388231630.db2.gz YGMRLRGQYBEVFK-CWRNSKLLSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000449557718 388232054 /nfs/dbraw/zinc/23/20/54/388232054.db2.gz SLKXCEZRJWIGKM-IHRRRGAJSA-N 2 2 234.387 2.718 20 0 BFADLP Cc1ccoc1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000491399027 388291967 /nfs/dbraw/zinc/29/19/67/388291967.db2.gz HFYDWBSCFHHHBK-UHFFFAOYSA-N 2 2 241.294 2.526 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000235189155 388366023 /nfs/dbraw/zinc/36/60/23/388366023.db2.gz BJGCYISVCKHJDH-BDAKNGLRSA-N 2 2 244.791 2.804 20 0 BFADLP Cc1ccc(C[NH2+]CCn2cc[nH+]c2)c(Cl)c1 ZINC000235873420 388376603 /nfs/dbraw/zinc/37/66/03/388376603.db2.gz SNZZVJCPOXGFED-UHFFFAOYSA-N 2 2 249.745 2.635 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000324185147 388379546 /nfs/dbraw/zinc/37/95/46/388379546.db2.gz VTPUGVWBJVMERV-ZLDLUXBVSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000324185147 388379549 /nfs/dbraw/zinc/37/95/49/388379549.db2.gz VTPUGVWBJVMERV-ZLDLUXBVSA-N 2 2 236.403 2.636 20 0 BFADLP CC[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165163877 388393220 /nfs/dbraw/zinc/39/32/20/388393220.db2.gz NQYAMVZHKZDJFI-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCC1 ZINC000322618447 388440991 /nfs/dbraw/zinc/44/09/91/388440991.db2.gz FFARXOCCEFSJEA-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCC1 ZINC000322618447 388440993 /nfs/dbraw/zinc/44/09/93/388440993.db2.gz FFARXOCCEFSJEA-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000026513508 388443094 /nfs/dbraw/zinc/44/30/94/388443094.db2.gz CZMAASSWPODNEU-CYBMUJFWSA-N 2 2 229.327 2.624 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]C(C)(C)C[NH+](C)C ZINC000308606125 388445152 /nfs/dbraw/zinc/44/51/52/388445152.db2.gz AOBNUJUVTPYQII-GFCCVEGCSA-N 2 2 214.397 2.598 20 0 BFADLP CC(C)[C@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000309606047 388458792 /nfs/dbraw/zinc/45/87/92/388458792.db2.gz LGQUAWDWKJVIEY-IHRRRGAJSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000309823852 388465845 /nfs/dbraw/zinc/46/58/45/388465845.db2.gz GWXGZPROFNFGFL-RYUDHWBXSA-N 2 2 226.408 2.598 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000309823852 388465846 /nfs/dbraw/zinc/46/58/46/388465846.db2.gz GWXGZPROFNFGFL-RYUDHWBXSA-N 2 2 226.408 2.598 20 0 BFADLP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000575999845 388478630 /nfs/dbraw/zinc/47/86/30/388478630.db2.gz MXVFMUAHAIRTIY-KBPBESRZSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@@H](C)C1 ZINC000575999845 388478633 /nfs/dbraw/zinc/47/86/33/388478633.db2.gz MXVFMUAHAIRTIY-KBPBESRZSA-N 2 2 249.402 2.721 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000524771171 388408930 /nfs/dbraw/zinc/40/89/30/388408930.db2.gz PGKQRZZRDSWTQI-RRFJBIMHSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000524771171 388408932 /nfs/dbraw/zinc/40/89/32/388408932.db2.gz PGKQRZZRDSWTQI-RRFJBIMHSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cc[nH+]c(NCCc2[nH+]cccc2C)c1 ZINC000295860355 388414566 /nfs/dbraw/zinc/41/45/66/388414566.db2.gz YCJJSSMVFUSTCO-UHFFFAOYSA-N 2 2 227.311 2.748 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CCC1 ZINC000322500980 388437422 /nfs/dbraw/zinc/43/74/22/388437422.db2.gz CGXGWMNFDGCIRO-SMDDNHRTSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CCC1 ZINC000322500980 388437425 /nfs/dbraw/zinc/43/74/25/388437425.db2.gz CGXGWMNFDGCIRO-SMDDNHRTSA-N 2 2 224.392 2.637 20 0 BFADLP CCc1ccc(C[NH2+]Cc2c[nH+]c(C)n2C)s1 ZINC000520839647 388542551 /nfs/dbraw/zinc/54/25/51/388542551.db2.gz MYGAAJWAMBZQBH-UHFFFAOYSA-N 2 2 249.383 2.642 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccs1 ZINC000034958079 388496367 /nfs/dbraw/zinc/49/63/67/388496367.db2.gz SZCWXEFGADUKAR-NSHDSACASA-N 2 2 235.356 2.686 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)s1 ZINC000034958073 388496654 /nfs/dbraw/zinc/49/66/54/388496654.db2.gz SGSPPRABLOCTAR-GFCCVEGCSA-N 2 2 249.383 2.994 20 0 BFADLP CC[C@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC1(C)C ZINC000397806102 388501218 /nfs/dbraw/zinc/50/12/18/388501218.db2.gz HDYVGGSLSGFUDO-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@H]1CC1(C)C ZINC000397819407 388502047 /nfs/dbraw/zinc/50/20/47/388502047.db2.gz KIYFYPNKUPZDDP-YUTCNCBUSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@H]1CC1(C)C ZINC000397819407 388502048 /nfs/dbraw/zinc/50/20/48/388502048.db2.gz KIYFYPNKUPZDDP-YUTCNCBUSA-N 2 2 238.419 2.883 20 0 BFADLP CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)[C@H]1CC1(C)C ZINC000397850216 388505484 /nfs/dbraw/zinc/50/54/84/388505484.db2.gz ZQZBQPYQECQSTN-XQQFMLRXSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397887557 388508970 /nfs/dbraw/zinc/50/89/70/388508970.db2.gz OFEALXDYAZDTLC-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[C@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000548097447 388511297 /nfs/dbraw/zinc/51/12/97/388511297.db2.gz STPAPBWZPDZDES-STQMWFEESA-N 2 2 241.338 2.855 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000398041555 388515744 /nfs/dbraw/zinc/51/57/44/388515744.db2.gz QNNQFVPNKCACCV-IUODEOHRSA-N 2 2 232.371 2.855 20 0 BFADLP CC1(C)CC(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000528397932 388519885 /nfs/dbraw/zinc/51/98/85/388519885.db2.gz SJTXLPSCAINNDC-UHFFFAOYSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCC12CCCC2)[NH+](C)C ZINC000328217790 388586530 /nfs/dbraw/zinc/58/65/30/388586530.db2.gz YSKWDTPXYLVGKZ-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000245858800 388607787 /nfs/dbraw/zinc/60/77/87/388607787.db2.gz HODRBUSLWHNWDB-ZIAGYGMSSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@H](C)C1CC1 ZINC000245858800 388607790 /nfs/dbraw/zinc/60/77/90/388607790.db2.gz HODRBUSLWHNWDB-ZIAGYGMSSA-N 2 2 246.398 2.895 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2CC[C@H]2C2CCC2)c[nH+]1 ZINC000548884854 388567749 /nfs/dbraw/zinc/56/77/49/388567749.db2.gz KIMZGLULJKETCF-LSDHHAIUSA-N 2 2 247.386 2.832 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884681 388567791 /nfs/dbraw/zinc/56/77/91/388567791.db2.gz BTNZGZQVVZPQKX-YJNKXOJESA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884681 388567795 /nfs/dbraw/zinc/56/77/95/388567795.db2.gz BTNZGZQVVZPQKX-YJNKXOJESA-N 2 2 236.403 2.639 20 0 BFADLP CCC(CC)C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000125652269 388673050 /nfs/dbraw/zinc/67/30/50/388673050.db2.gz YMGGFGSANYXRTC-LBPRGKRZSA-N 2 2 223.364 2.545 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530179163 388621115 /nfs/dbraw/zinc/62/11/15/388621115.db2.gz URFPKWCKRRBOOY-OAHLLOKOSA-N 2 2 244.382 2.623 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000530217768 388630212 /nfs/dbraw/zinc/63/02/12/388630212.db2.gz HMJUAEMUDXCVLT-FZMZJTMJSA-N 2 2 248.345 2.761 20 0 BFADLP CCc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000521883679 388638535 /nfs/dbraw/zinc/63/85/35/388638535.db2.gz HLKVKEYWZOOQJU-HNNXBMFYSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000521883679 388638537 /nfs/dbraw/zinc/63/85/37/388638537.db2.gz HLKVKEYWZOOQJU-HNNXBMFYSA-N 2 2 244.382 2.575 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CC=C(C)CC1)C1CC1 ZINC000551986683 388652261 /nfs/dbraw/zinc/65/22/61/388652261.db2.gz ITGKSGSAMZJJGU-ZDUSSCGKSA-N 2 2 222.376 2.559 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CC=C(C)CC1)C1CC1 ZINC000551986683 388652263 /nfs/dbraw/zinc/65/22/63/388652263.db2.gz ITGKSGSAMZJJGU-ZDUSSCGKSA-N 2 2 222.376 2.559 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000530386851 388653244 /nfs/dbraw/zinc/65/32/44/388653244.db2.gz SBRJEODLIOEUMS-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000530386851 388653245 /nfs/dbraw/zinc/65/32/45/388653245.db2.gz SBRJEODLIOEUMS-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000246899177 388655377 /nfs/dbraw/zinc/65/53/77/388655377.db2.gz FTIKCGILSQMKCJ-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000246899177 388655378 /nfs/dbraw/zinc/65/53/78/388655378.db2.gz FTIKCGILSQMKCJ-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000552061754 388664816 /nfs/dbraw/zinc/66/48/16/388664816.db2.gz YTACCTVXFCLGMG-LSDHHAIUSA-N 2 2 232.371 2.957 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000223195149 388688441 /nfs/dbraw/zinc/68/84/41/388688441.db2.gz VXFXWJZMJZVBBV-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000223195149 388688444 /nfs/dbraw/zinc/68/84/44/388688444.db2.gz VXFXWJZMJZVBBV-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C ZINC000249337119 388717072 /nfs/dbraw/zinc/71/70/72/388717072.db2.gz IJKYATGENVOWGJ-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C ZINC000249337119 388717075 /nfs/dbraw/zinc/71/70/75/388717075.db2.gz IJKYATGENVOWGJ-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C(C[NH2+]CCCn1cc[nH+]c1)C(C)C ZINC000229548061 388793483 /nfs/dbraw/zinc/79/34/83/388793483.db2.gz XCMUQQVSNKAQNF-UHFFFAOYSA-N 2 2 237.391 2.791 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000540170068 388798648 /nfs/dbraw/zinc/79/86/48/388798648.db2.gz YMAOJPMDKDAMEQ-WOSRLPQWSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000540170068 388798650 /nfs/dbraw/zinc/79/86/50/388798650.db2.gz YMAOJPMDKDAMEQ-WOSRLPQWSA-N 2 2 244.382 2.820 20 0 BFADLP CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000253159119 388807237 /nfs/dbraw/zinc/80/72/37/388807237.db2.gz QYWQGLXXBPYFIO-HZSPNIEDSA-N 2 2 235.375 2.955 20 0 BFADLP CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000253159119 388807240 /nfs/dbraw/zinc/80/72/40/388807240.db2.gz QYWQGLXXBPYFIO-HZSPNIEDSA-N 2 2 235.375 2.955 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1CC ZINC000252709496 388773426 /nfs/dbraw/zinc/77/34/26/388773426.db2.gz DAQGDUYKOCWKSD-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1CC ZINC000252709496 388773427 /nfs/dbraw/zinc/77/34/27/388773427.db2.gz DAQGDUYKOCWKSD-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000094867734 388874358 /nfs/dbraw/zinc/87/43/58/388874358.db2.gz HOTVQGDUENQWEK-LBPRGKRZSA-N 2 2 236.359 2.803 20 0 BFADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccoc1 ZINC000094868778 388874942 /nfs/dbraw/zinc/87/49/42/388874942.db2.gz GVRHIMDYQFCHOW-NSHDSACASA-N 2 2 234.343 2.557 20 0 BFADLP Cn1c[nH+]c(CC[NH2+]C[C@@H]2CCCC(C)(C)C2)c1 ZINC000565819933 388971003 /nfs/dbraw/zinc/97/10/03/388971003.db2.gz ULAVOUDGLAZVLO-CYBMUJFWSA-N 2 2 249.402 2.769 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C(C)C ZINC000289182792 389034027 /nfs/dbraw/zinc/03/40/27/389034027.db2.gz GECFOQUKWWADOD-CYBMUJFWSA-N 2 2 220.360 2.957 20 0 BFADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CC1(C)C ZINC000487277317 533385046 /nfs/dbraw/zinc/38/50/46/533385046.db2.gz MMYGALGHHXDOOA-CHWSQXEVSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000400390666 533455020 /nfs/dbraw/zinc/45/50/20/533455020.db2.gz ZTGZXRNKFIHDAK-MFKMUULPSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)[C@@H]1C ZINC000495048475 533644863 /nfs/dbraw/zinc/64/48/63/533644863.db2.gz QQWGWYSMFGOMPR-MGPQQGTHSA-N 2 2 247.386 2.908 20 0 BFADLP CCC1([NH2+]C2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000296607264 132221672 /nfs/dbraw/zinc/22/16/72/132221672.db2.gz WBHDNGPEZYCQDL-UHFFFAOYSA-N 2 2 245.370 2.583 20 0 BFADLP C[N@@H+]1CC[C@@H]([NH2+]CCC2CC2)[C@@H]1c1ccccc1 ZINC000352093127 134061464 /nfs/dbraw/zinc/06/14/64/134061464.db2.gz MTZWNKNOEUEHSI-CVEARBPZSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CC[C@@H]([NH2+]CCC2CC2)[C@@H]1c1ccccc1 ZINC000352093127 134061465 /nfs/dbraw/zinc/06/14/65/134061465.db2.gz MTZWNKNOEUEHSI-CVEARBPZSA-N 2 2 244.382 2.822 20 0 BFADLP CCCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000172178953 134262533 /nfs/dbraw/zinc/26/25/33/134262533.db2.gz MLHWRYBBSAKLLJ-AWEZNQCLSA-N 2 2 224.392 2.737 20 0 BFADLP CCCCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000172178953 134262534 /nfs/dbraw/zinc/26/25/34/134262534.db2.gz MLHWRYBBSAKLLJ-AWEZNQCLSA-N 2 2 224.392 2.737 20 0 BFADLP CC[N@H+](CC[NH2+]C[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000218922711 134268901 /nfs/dbraw/zinc/26/89/01/134268901.db2.gz VBSZJGPTBRQBNN-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+](CC[NH2+]C[C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000218922711 134268902 /nfs/dbraw/zinc/26/89/02/134268902.db2.gz VBSZJGPTBRQBNN-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@H](CC)[NH2+]CC1([NH+](C)C)CCC1 ZINC000219265081 134277288 /nfs/dbraw/zinc/27/72/88/134277288.db2.gz PGJSXFWSXWPEDE-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000178309186 134308411 /nfs/dbraw/zinc/30/84/11/134308411.db2.gz RVMZTXUUZVMBRR-BBRMVZONSA-N 2 2 244.382 2.605 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@H]2C2CCC2)c[nH+]1 ZINC000182749178 134348034 /nfs/dbraw/zinc/34/80/34/134348034.db2.gz VCWACTUKECXOIJ-AWEZNQCLSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@H]2C2CCC2)c[nH+]1 ZINC000182749178 134348035 /nfs/dbraw/zinc/34/80/35/134348035.db2.gz VCWACTUKECXOIJ-AWEZNQCLSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CCC[N@@H+]2CCC3(C2)CCCCC3)c[nH+]1 ZINC000183181622 134348829 /nfs/dbraw/zinc/34/88/29/134348829.db2.gz VZGVDFVSCDEBKR-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP c1cn(CCC[N@H+]2CCC3(C2)CCCCC3)c[nH+]1 ZINC000183181622 134348830 /nfs/dbraw/zinc/34/88/30/134348830.db2.gz VZGVDFVSCDEBKR-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@@H]2C2CCCC2)c[nH+]1 ZINC000183165623 134348968 /nfs/dbraw/zinc/34/89/68/134348968.db2.gz LSSFLTOMZYATKW-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@@H]2C2CCCC2)c[nH+]1 ZINC000183165623 134348969 /nfs/dbraw/zinc/34/89/69/134348969.db2.gz LSSFLTOMZYATKW-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP C[C@H]1CCC[C@H](C)[NH+]1CCCn1cc[nH+]c1 ZINC000183177003 134349062 /nfs/dbraw/zinc/34/90/62/134349062.db2.gz OWNIKCORCWJUAH-STQMWFEESA-N 2 2 221.348 2.536 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000226014837 134358752 /nfs/dbraw/zinc/35/87/52/134358752.db2.gz YQMDPIGLRSEHGR-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000226014837 134358753 /nfs/dbraw/zinc/35/87/53/134358753.db2.gz YQMDPIGLRSEHGR-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000249153004 135034344 /nfs/dbraw/zinc/03/43/44/135034344.db2.gz YAXGTYDVOOLWGZ-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000249153004 135034346 /nfs/dbraw/zinc/03/43/46/135034346.db2.gz YAXGTYDVOOLWGZ-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000250242226 135050928 /nfs/dbraw/zinc/05/09/28/135050928.db2.gz HMOSTUZAKAXZSW-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000250242226 135050930 /nfs/dbraw/zinc/05/09/30/135050930.db2.gz HMOSTUZAKAXZSW-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000250319650 135051646 /nfs/dbraw/zinc/05/16/46/135051646.db2.gz MXMWTYBQFNIMSN-UMVBOHGHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000250319650 135051647 /nfs/dbraw/zinc/05/16/47/135051647.db2.gz MXMWTYBQFNIMSN-UMVBOHGHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000250319651 135052043 /nfs/dbraw/zinc/05/20/43/135052043.db2.gz MXMWTYBQFNIMSN-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000250319651 135052044 /nfs/dbraw/zinc/05/20/44/135052044.db2.gz MXMWTYBQFNIMSN-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000250727932 135057864 /nfs/dbraw/zinc/05/78/64/135057864.db2.gz IAHFWEHCXZTXHP-UKRRQHHQSA-N 2 2 232.371 2.820 20 0 BFADLP CC(C)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000250727932 135057865 /nfs/dbraw/zinc/05/78/65/135057865.db2.gz IAHFWEHCXZTXHP-UKRRQHHQSA-N 2 2 232.371 2.820 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000251372924 135071518 /nfs/dbraw/zinc/07/15/18/135071518.db2.gz GIVUUGVMTDBFHG-HZSPNIEDSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000251372924 135071521 /nfs/dbraw/zinc/07/15/21/135071521.db2.gz GIVUUGVMTDBFHG-HZSPNIEDSA-N 2 2 224.392 2.624 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@H]1C ZINC000251929093 135081205 /nfs/dbraw/zinc/08/12/05/135081205.db2.gz VEOPCMPDNUQXLZ-MCIONIFRSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C)[NH+](C)C ZINC000252155157 135085602 /nfs/dbraw/zinc/08/56/02/135085602.db2.gz PAXWFXWAMPLRKW-FRRDWIJNSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C[C@H]1C ZINC000252919575 135116880 /nfs/dbraw/zinc/11/68/80/135116880.db2.gz DPEUMHKAHWYLMO-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000253179359 135123195 /nfs/dbraw/zinc/12/31/95/135123195.db2.gz CUGBGPPSJBUVMD-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000253179359 135123196 /nfs/dbraw/zinc/12/31/96/135123196.db2.gz CUGBGPPSJBUVMD-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]CCC1CCCCC1 ZINC000087473322 135142079 /nfs/dbraw/zinc/14/20/79/135142079.db2.gz GBGBJMPSNVTGFP-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000261529453 135155657 /nfs/dbraw/zinc/15/56/57/135155657.db2.gz AUBIKQYPYMAQLM-BBBLOLIVSA-N 2 2 226.751 2.726 20 0 BFADLP C[C@@H]1C[N@H+](Cc2sccc2Cl)CC[C@H]1[NH3+] ZINC000261538197 135175217 /nfs/dbraw/zinc/17/52/17/135175217.db2.gz XLJCEPJYLLCBQZ-PSASIEDQSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2sccc2Cl)CC[C@H]1[NH3+] ZINC000261538197 135175218 /nfs/dbraw/zinc/17/52/18/135175218.db2.gz XLJCEPJYLLCBQZ-PSASIEDQSA-N 2 2 244.791 2.571 20 0 BFADLP Cc1cccc([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000261544740 135185815 /nfs/dbraw/zinc/18/58/15/135185815.db2.gz ZMQOPEXPBAWYRJ-ZIAGYGMSSA-N 2 2 232.371 2.819 20 0 BFADLP Cc1cccc([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000261544740 135185817 /nfs/dbraw/zinc/18/58/17/135185817.db2.gz ZMQOPEXPBAWYRJ-ZIAGYGMSSA-N 2 2 232.371 2.819 20 0 BFADLP CC(C)(C)[NH2+]CC[NH2+]C(C)(C)c1ccccc1 ZINC000261549251 135188114 /nfs/dbraw/zinc/18/81/14/135188114.db2.gz KGHLQZHZSWPRRK-UHFFFAOYSA-N 2 2 234.387 2.899 20 0 BFADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1cc2ccccc2o1 ZINC000261558827 135199603 /nfs/dbraw/zinc/19/96/03/135199603.db2.gz SSEOMEKIXXUUHN-JTQLQIEISA-N 2 2 232.327 2.821 20 0 BFADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000261564702 135207236 /nfs/dbraw/zinc/20/72/36/135207236.db2.gz HJZIJWFXMLROAS-SWLSCSKDSA-N 2 2 246.398 2.906 20 0 BFADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000261564702 135207237 /nfs/dbraw/zinc/20/72/37/135207237.db2.gz HJZIJWFXMLROAS-SWLSCSKDSA-N 2 2 246.398 2.906 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]CC1CCCCCC1 ZINC000084329349 135211131 /nfs/dbraw/zinc/21/11/31/135211131.db2.gz MCWUWIPAJASPBC-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]CC1CCCCCC1 ZINC000084329349 135211132 /nfs/dbraw/zinc/21/11/32/135211132.db2.gz MCWUWIPAJASPBC-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000261569664 135211256 /nfs/dbraw/zinc/21/12/56/135211256.db2.gz GJLQROKQKUTJJS-GXTWGEPZSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000261569664 135211258 /nfs/dbraw/zinc/21/12/58/135211258.db2.gz GJLQROKQKUTJJS-GXTWGEPZSA-N 2 2 224.392 2.768 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261591810 135232725 /nfs/dbraw/zinc/23/27/25/135232725.db2.gz YARGTBPNFJYVKL-IINYFYTJSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1C ZINC000261591810 135232726 /nfs/dbraw/zinc/23/27/26/135232726.db2.gz YARGTBPNFJYVKL-IINYFYTJSA-N 2 2 244.338 2.663 20 0 BFADLP CC(C)([NH3+])C[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000261593163 135233250 /nfs/dbraw/zinc/23/32/50/135233250.db2.gz YWQKGBXZQUDLPJ-AWEZNQCLSA-N 2 2 244.338 2.696 20 0 BFADLP CCC[C@H]1[C@H](C)CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261593605 135234383 /nfs/dbraw/zinc/23/43/83/135234383.db2.gz WZGSRXLIMPNWMS-NEPJUHHUSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@H]1[C@H](C)CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261593605 135234385 /nfs/dbraw/zinc/23/43/85/135234385.db2.gz WZGSRXLIMPNWMS-NEPJUHHUSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000262284401 135290937 /nfs/dbraw/zinc/29/09/37/135290937.db2.gz ZNZGLSJLSMJNCU-LRDDRELGSA-N 2 2 240.350 2.852 20 0 BFADLP CCC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000342571948 135291156 /nfs/dbraw/zinc/29/11/56/135291156.db2.gz FKOBMVFLPOLGAI-PIMMBPRGSA-N 2 2 236.403 2.782 20 0 BFADLP CCC1CC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000342571948 135291157 /nfs/dbraw/zinc/29/11/57/135291157.db2.gz FKOBMVFLPOLGAI-PIMMBPRGSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000342582669 135292713 /nfs/dbraw/zinc/29/27/13/135292713.db2.gz PVQDEAKCGCVPSD-KGLIPLIRSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000342582669 135292714 /nfs/dbraw/zinc/29/27/14/135292714.db2.gz PVQDEAKCGCVPSD-KGLIPLIRSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000342622925 135296877 /nfs/dbraw/zinc/29/68/77/135296877.db2.gz GDSMWNKSZBKVHD-ZDUSSCGKSA-N 2 2 247.386 2.540 20 0 BFADLP CCC1CC([NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000342689125 135305413 /nfs/dbraw/zinc/30/54/13/135305413.db2.gz VTNTVZUDAGHINN-ROKHWSDSSA-N 2 2 247.386 2.847 20 0 BFADLP C[C@@H](c1ccc(Cl)cc1)[N@H+](CC[NH3+])C1CC1 ZINC000263044386 135328756 /nfs/dbraw/zinc/32/87/56/135328756.db2.gz TVTRVGPPUVLHAP-JTQLQIEISA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CC[NH3+])C1CC1 ZINC000263044386 135328757 /nfs/dbraw/zinc/32/87/57/135328757.db2.gz TVTRVGPPUVLHAP-JTQLQIEISA-N 2 2 238.762 2.824 20 0 BFADLP CC1(C)CCC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079653392 135343055 /nfs/dbraw/zinc/34/30/55/135343055.db2.gz PEHUZOYKZLHXNP-ZDUSSCGKSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CCC([NH2+][C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000079653392 135343056 /nfs/dbraw/zinc/34/30/56/135343056.db2.gz PEHUZOYKZLHXNP-ZDUSSCGKSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000334347426 135366310 /nfs/dbraw/zinc/36/63/10/135366310.db2.gz XKDATLTYFVODCU-OLZOCXBDSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000334347426 135366311 /nfs/dbraw/zinc/36/63/11/135366311.db2.gz XKDATLTYFVODCU-OLZOCXBDSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000334347425 135366410 /nfs/dbraw/zinc/36/64/10/135366410.db2.gz XKDATLTYFVODCU-CHWSQXEVSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000334347425 135366411 /nfs/dbraw/zinc/36/64/11/135366411.db2.gz XKDATLTYFVODCU-CHWSQXEVSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000334347428 135366669 /nfs/dbraw/zinc/36/66/69/135366669.db2.gz XKDATLTYFVODCU-QWHCGFSZSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000334347428 135366671 /nfs/dbraw/zinc/36/66/71/135366671.db2.gz XKDATLTYFVODCU-QWHCGFSZSA-N 2 2 235.375 2.560 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000081625193 135388844 /nfs/dbraw/zinc/38/88/44/135388844.db2.gz RSVXDJMNXPLOKZ-CABCVRRESA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccccc2)CCC[N@@H+]1C ZINC000344330764 135762904 /nfs/dbraw/zinc/76/29/04/135762904.db2.gz VSUIBEOVJCWNQD-MWGCNAMGSA-N 2 2 244.382 2.772 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccccc2)CCC[N@H+]1C ZINC000344330764 135762905 /nfs/dbraw/zinc/76/29/05/135762905.db2.gz VSUIBEOVJCWNQD-MWGCNAMGSA-N 2 2 244.382 2.772 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+](C)C1CCCCCC1 ZINC000347722709 136003343 /nfs/dbraw/zinc/00/33/43/136003343.db2.gz QYZSJQSGVFEMJA-UHFFFAOYSA-N 2 2 235.375 2.617 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+](C)C1CCCCCC1 ZINC000347722709 136003344 /nfs/dbraw/zinc/00/33/44/136003344.db2.gz QYZSJQSGVFEMJA-UHFFFAOYSA-N 2 2 235.375 2.617 20 0 BFADLP Cc1ccc(CCC[NH2+]Cc2ccco2)c[nH+]1 ZINC000353915133 136019654 /nfs/dbraw/zinc/01/96/54/136019654.db2.gz MGSRLLMNNRPIKE-UHFFFAOYSA-N 2 2 230.311 2.705 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000348101943 136036322 /nfs/dbraw/zinc/03/63/22/136036322.db2.gz JSWLZPUWSARXDO-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000348101943 136036323 /nfs/dbraw/zinc/03/63/23/136036323.db2.gz JSWLZPUWSARXDO-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000348115191 136037616 /nfs/dbraw/zinc/03/76/16/136037616.db2.gz YYPHJQKCRJOBGO-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]C[C@H](C)CC(C)C)CC1 ZINC000348223543 136047522 /nfs/dbraw/zinc/04/75/22/136047522.db2.gz TYVJXLAGDPWPIY-OAHLLOKOSA-N 2 2 238.419 2.910 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]C[C@H](C)CC(C)C)CC1 ZINC000348223543 136047523 /nfs/dbraw/zinc/04/75/23/136047523.db2.gz TYVJXLAGDPWPIY-OAHLLOKOSA-N 2 2 238.419 2.910 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000348255935 136057236 /nfs/dbraw/zinc/05/72/36/136057236.db2.gz LXHAPJMIYKNSEN-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000348255935 136057237 /nfs/dbraw/zinc/05/72/37/136057237.db2.gz LXHAPJMIYKNSEN-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000348317408 136068944 /nfs/dbraw/zinc/06/89/44/136068944.db2.gz XXDFBPZWSNZQCI-BFJAYTPKSA-N 2 2 246.398 2.718 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C1(C(F)F)CC1 ZINC000348365999 136073372 /nfs/dbraw/zinc/07/33/72/136073372.db2.gz TUMHKKBUCPBTMI-UHFFFAOYSA-N 2 2 240.297 2.710 20 0 BFADLP F[C@H]1CCC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000335370868 136083274 /nfs/dbraw/zinc/08/32/74/136083274.db2.gz AKYKMSGFKAPMBG-NWDGAFQWSA-N 2 2 247.317 2.705 20 0 BFADLP [NH3+]CC[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000335564548 136106944 /nfs/dbraw/zinc/10/69/44/136106944.db2.gz KBBSRFZIEBOZDE-SNVBAGLBSA-N 2 2 245.153 2.529 20 0 BFADLP [NH3+]CC[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000335565709 136107325 /nfs/dbraw/zinc/10/73/25/136107325.db2.gz QTVFWFWHJWRGKG-NSHDSACASA-N 2 2 245.153 2.529 20 0 BFADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000182173885 397824788 /nfs/dbraw/zinc/82/47/88/397824788.db2.gz HODRBUSLWHNWDB-KGLIPLIRSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+][C@@H](C)C1CC1 ZINC000182173885 397824791 /nfs/dbraw/zinc/82/47/91/397824791.db2.gz HODRBUSLWHNWDB-KGLIPLIRSA-N 2 2 246.398 2.895 20 0 BFADLP CCC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449556396 397955733 /nfs/dbraw/zinc/95/57/33/397955733.db2.gz MCBOIMDHTFYXNA-HOCLYGCPSA-N 2 2 248.414 2.938 20 0 BFADLP C[C@H]1CC(C)(C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000414524636 397960086 /nfs/dbraw/zinc/96/00/86/397960086.db2.gz KGJYCYRITDYICR-LBPRGKRZSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538420 397919818 /nfs/dbraw/zinc/91/98/18/397919818.db2.gz JXZTXKPRCNHHGO-YXMPFFBPSA-N 2 2 248.345 2.525 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000355905373 397925749 /nfs/dbraw/zinc/92/57/49/397925749.db2.gz LGUKPAAQNPJSEQ-DZGCQCFKSA-N 2 2 248.370 2.969 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000355905373 397925751 /nfs/dbraw/zinc/92/57/51/397925751.db2.gz LGUKPAAQNPJSEQ-DZGCQCFKSA-N 2 2 248.370 2.969 20 0 BFADLP C[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000414819380 398044318 /nfs/dbraw/zinc/04/43/18/398044318.db2.gz HIORPCPKDGRKQO-UHFFFAOYSA-N 2 2 246.379 2.724 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000649618055 398000248 /nfs/dbraw/zinc/00/02/48/398000248.db2.gz JMPOAKSCDKDNNH-AWEZNQCLSA-N 2 2 246.398 2.914 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000649618055 398000252 /nfs/dbraw/zinc/00/02/52/398000252.db2.gz JMPOAKSCDKDNNH-AWEZNQCLSA-N 2 2 246.398 2.914 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@H](C3CCC3)CC2)c[nH+]1 ZINC000640106306 398071654 /nfs/dbraw/zinc/07/16/54/398071654.db2.gz NSWKQMJVTKSPBO-HNNXBMFYSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@H](C3CCC3)CC2)c[nH+]1 ZINC000640106306 398071657 /nfs/dbraw/zinc/07/16/57/398071657.db2.gz NSWKQMJVTKSPBO-HNNXBMFYSA-N 2 2 247.386 2.785 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1nccs1 ZINC000289316420 398085822 /nfs/dbraw/zinc/08/58/22/398085822.db2.gz SQHSDXOTBHBGFO-UHFFFAOYSA-N 2 2 247.367 2.569 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000648450070 398052098 /nfs/dbraw/zinc/05/20/98/398052098.db2.gz QGVNQVAHFSLMEP-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000648450070 398052102 /nfs/dbraw/zinc/05/21/02/398052102.db2.gz QGVNQVAHFSLMEP-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+]CC1([NH+](C)C)CC1 ZINC000397918114 398124447 /nfs/dbraw/zinc/12/44/47/398124447.db2.gz JKTSNJWZOQERGT-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000336711487 398134577 /nfs/dbraw/zinc/13/45/77/398134577.db2.gz MRCREVBALDRTEB-AWEZNQCLSA-N 2 2 235.375 2.846 20 0 BFADLP CCC[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000336711487 398134581 /nfs/dbraw/zinc/13/45/81/398134581.db2.gz MRCREVBALDRTEB-AWEZNQCLSA-N 2 2 235.375 2.846 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000259012742 322881194 /nfs/dbraw/zinc/88/11/94/322881194.db2.gz XUDWHWDSFQMZIS-UHFFFAOYSA-N 2 2 234.387 2.584 20 0 BFADLP CC(C)[NH2+]C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000259569873 322882624 /nfs/dbraw/zinc/88/26/24/322882624.db2.gz YLVKIVUFMSYTTA-CQSZACIVSA-N 2 2 220.360 2.808 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680340447 487568805 /nfs/dbraw/zinc/56/88/05/487568805.db2.gz DUJFOSYZEQWBJQ-KBPBESRZSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680340447 487568812 /nfs/dbraw/zinc/56/88/12/487568812.db2.gz DUJFOSYZEQWBJQ-KBPBESRZSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000393250463 487569044 /nfs/dbraw/zinc/56/90/44/487569044.db2.gz WUGXQWDDLVXBII-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC000393250463 487569050 /nfs/dbraw/zinc/56/90/50/487569050.db2.gz WUGXQWDDLVXBII-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680340449 487569299 /nfs/dbraw/zinc/56/92/99/487569299.db2.gz DUJFOSYZEQWBJQ-UONOGXRCSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680340449 487569303 /nfs/dbraw/zinc/56/93/03/487569303.db2.gz DUJFOSYZEQWBJQ-UONOGXRCSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000393351780 487574121 /nfs/dbraw/zinc/57/41/21/487574121.db2.gz KDDRGYYEZXAUPB-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000393351780 487574128 /nfs/dbraw/zinc/57/41/28/487574128.db2.gz KDDRGYYEZXAUPB-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000086887477 487578575 /nfs/dbraw/zinc/57/85/75/487578575.db2.gz UWKGYSLHQMHVEL-HZSPNIEDSA-N 2 2 235.375 2.830 20 0 BFADLP CC(C)(C)c1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000662240797 409526283 /nfs/dbraw/zinc/52/62/83/409526283.db2.gz NABHXPLEJSJUQR-CQSZACIVSA-N 2 2 232.371 2.517 20 0 BFADLP CC(C)(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC000662240797 409526289 /nfs/dbraw/zinc/52/62/89/409526289.db2.gz NABHXPLEJSJUQR-CQSZACIVSA-N 2 2 232.371 2.517 20 0 BFADLP CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000662243397 409536103 /nfs/dbraw/zinc/53/61/03/409536103.db2.gz CUEPCEACQSUMKG-HNNXBMFYSA-N 2 2 246.398 2.907 20 0 BFADLP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000662243397 409536110 /nfs/dbraw/zinc/53/61/10/409536110.db2.gz CUEPCEACQSUMKG-HNNXBMFYSA-N 2 2 246.398 2.907 20 0 BFADLP CCc1cc[nH+]cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000651979301 410111681 /nfs/dbraw/zinc/11/16/81/410111681.db2.gz IIQKYWOJNHHATM-ZIAGYGMSSA-N 2 2 245.370 2.683 20 0 BFADLP CCc1cc[nH+]cc1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000651979301 410111685 /nfs/dbraw/zinc/11/16/85/410111685.db2.gz IIQKYWOJNHHATM-ZIAGYGMSSA-N 2 2 245.370 2.683 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000328148163 487617062 /nfs/dbraw/zinc/61/70/62/487617062.db2.gz CTBTXWHRVCUWNR-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000328148163 487617068 /nfs/dbraw/zinc/61/70/68/487617068.db2.gz CTBTXWHRVCUWNR-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665238325 410726192 /nfs/dbraw/zinc/72/61/92/410726192.db2.gz WAKXEAQWHGVRIA-RISCZKNCSA-N 2 2 244.338 2.520 20 0 BFADLP C[C@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]1 ZINC000665237987 410730416 /nfs/dbraw/zinc/73/04/16/410730416.db2.gz OCNVVTLJUSOXCY-FZMZJTMJSA-N 2 2 244.338 2.663 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000665295015 410788983 /nfs/dbraw/zinc/78/89/83/410788983.db2.gz ZQJAUZKGIXMTAA-DTWKUNHWSA-N 2 2 244.741 2.738 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000665295802 410805133 /nfs/dbraw/zinc/80/51/33/410805133.db2.gz JIXIMBNHNQVRBS-RYUDHWBXSA-N 2 2 238.350 2.701 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1csc(Cl)c1 ZINC000665297421 410814786 /nfs/dbraw/zinc/81/47/86/410814786.db2.gz FQOGXXRSGAAPIZ-JGVFFNPUSA-N 2 2 232.780 2.660 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000665297653 410818391 /nfs/dbraw/zinc/81/83/91/410818391.db2.gz JFOBSBWHOZIRDD-IUODEOHRSA-N 2 2 246.398 2.997 20 0 BFADLP CC(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000309861906 167011538 /nfs/dbraw/zinc/01/15/38/167011538.db2.gz DMFYSXHZOFNOPR-GDBMZVCRSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000309861906 167011541 /nfs/dbraw/zinc/01/15/41/167011541.db2.gz DMFYSXHZOFNOPR-GDBMZVCRSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000125304631 167097048 /nfs/dbraw/zinc/09/70/48/167097048.db2.gz BSGOEOFGKOMWPV-UHFFFAOYSA-N 2 2 246.398 2.821 20 0 BFADLP CC(C)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000125304631 167097051 /nfs/dbraw/zinc/09/70/51/167097051.db2.gz BSGOEOFGKOMWPV-UHFFFAOYSA-N 2 2 246.398 2.821 20 0 BFADLP CC(C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000052417391 167112162 /nfs/dbraw/zinc/11/21/62/167112162.db2.gz FTRCKXGWAWKLOO-CYBMUJFWSA-N 2 2 220.360 2.505 20 0 BFADLP CC(C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000052417391 167112165 /nfs/dbraw/zinc/11/21/65/167112165.db2.gz FTRCKXGWAWKLOO-CYBMUJFWSA-N 2 2 220.360 2.505 20 0 BFADLP CC(C)[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186330870 167138313 /nfs/dbraw/zinc/13/83/13/167138313.db2.gz VDBXPMUBDVJLLR-OCCSQVGLSA-N 2 2 220.360 2.676 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000651767835 411142856 /nfs/dbraw/zinc/14/28/56/411142856.db2.gz MYHCGKPJNKHHKG-MCIONIFRSA-N 2 2 247.386 2.756 20 0 BFADLP Cn1cc[nH+]c1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000212181150 411144516 /nfs/dbraw/zinc/14/45/16/411144516.db2.gz PYUXHHZHJZXLQU-CYBMUJFWSA-N 2 2 227.311 2.512 20 0 BFADLP Cc1occc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651864729 411147932 /nfs/dbraw/zinc/14/79/32/411147932.db2.gz BPUXTWNGUNXWMX-UHFFFAOYSA-N 2 2 238.375 2.656 20 0 BFADLP Cc1occc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651864729 411147933 /nfs/dbraw/zinc/14/79/33/411147933.db2.gz BPUXTWNGUNXWMX-UHFFFAOYSA-N 2 2 238.375 2.656 20 0 BFADLP CCC1(C)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000343317163 411190190 /nfs/dbraw/zinc/19/01/90/411190190.db2.gz CQBJFLJNSNOULM-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP Cc1cccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH+]1 ZINC000656227709 411214229 /nfs/dbraw/zinc/21/42/29/411214229.db2.gz SUVCXLCIKRWTTK-KBPBESRZSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cccc(N[C@H]2CCC[N@H+]3CCCC[C@@H]23)[nH+]1 ZINC000656227709 411214230 /nfs/dbraw/zinc/21/42/30/411214230.db2.gz SUVCXLCIKRWTTK-KBPBESRZSA-N 2 2 245.370 2.819 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C ZINC000658055026 411220790 /nfs/dbraw/zinc/22/07/90/411220790.db2.gz HJYGTFCDPMZWQR-VXGBXAGGSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C ZINC000658055026 411220791 /nfs/dbraw/zinc/22/07/91/411220791.db2.gz HJYGTFCDPMZWQR-VXGBXAGGSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057578 411222212 /nfs/dbraw/zinc/22/22/12/411222212.db2.gz PIDRSCSMYXNDKU-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057578 411222214 /nfs/dbraw/zinc/22/22/14/411222214.db2.gz PIDRSCSMYXNDKU-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658057265 411224454 /nfs/dbraw/zinc/22/44/54/411224454.db2.gz OGKSXIUOZJZXDI-KBPBESRZSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658057265 411224456 /nfs/dbraw/zinc/22/44/56/411224456.db2.gz OGKSXIUOZJZXDI-KBPBESRZSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658058426 411224801 /nfs/dbraw/zinc/22/48/01/411224801.db2.gz SQMDDTAIAQIFMD-QWHCGFSZSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658058426 411224802 /nfs/dbraw/zinc/22/48/02/411224802.db2.gz SQMDDTAIAQIFMD-QWHCGFSZSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000658062989 411229737 /nfs/dbraw/zinc/22/97/37/411229737.db2.gz UIWURAAJQZUBEY-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000658062989 411229739 /nfs/dbraw/zinc/22/97/39/411229739.db2.gz UIWURAAJQZUBEY-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP CC1([NH3+])CC[NH+](Cc2ccsc2Cl)CC1 ZINC000309772788 411230854 /nfs/dbraw/zinc/23/08/54/411230854.db2.gz KWJKKOAKQVSIRH-UHFFFAOYSA-N 2 2 244.791 2.715 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC000658090028 411240307 /nfs/dbraw/zinc/24/03/07/411240307.db2.gz CWQMQDVJMZNQDH-STQMWFEESA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000658090028 411240309 /nfs/dbraw/zinc/24/03/09/411240309.db2.gz CWQMQDVJMZNQDH-STQMWFEESA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC000658092375 411241864 /nfs/dbraw/zinc/24/18/64/411241864.db2.gz QCQMFAGBXYTNIM-RYUDHWBXSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000658092375 411241866 /nfs/dbraw/zinc/24/18/66/411241866.db2.gz QCQMFAGBXYTNIM-RYUDHWBXSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC000658092372 411242058 /nfs/dbraw/zinc/24/20/58/411242058.db2.gz QCQMFAGBXYTNIM-NEPJUHHUSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000658092372 411242060 /nfs/dbraw/zinc/24/20/60/411242060.db2.gz QCQMFAGBXYTNIM-NEPJUHHUSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CC1([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000658321795 411333464 /nfs/dbraw/zinc/33/34/64/411333464.db2.gz WTVGANAQBYAURY-GXTWGEPZSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)CC1([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000658321795 411333468 /nfs/dbraw/zinc/33/34/68/411333468.db2.gz WTVGANAQBYAURY-GXTWGEPZSA-N 2 2 236.403 2.637 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000658284407 411322080 /nfs/dbraw/zinc/32/20/80/411322080.db2.gz GCMHXGNVZWXRMD-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000658284407 411322082 /nfs/dbraw/zinc/32/20/82/411322082.db2.gz GCMHXGNVZWXRMD-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccncc1 ZINC000656677207 411323351 /nfs/dbraw/zinc/32/33/51/411323351.db2.gz RZUCGMCZTXFLER-TZMCWYRMSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccncc1 ZINC000656677207 411323353 /nfs/dbraw/zinc/32/33/53/411323353.db2.gz RZUCGMCZTXFLER-TZMCWYRMSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@@H](C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+])C(C)(C)C ZINC000304241585 411355269 /nfs/dbraw/zinc/35/52/69/411355269.db2.gz DINYBVPHWPXCIH-AVGNSLFASA-N 2 2 226.408 2.870 20 0 BFADLP C[C@@H](C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+])C(C)(C)C ZINC000304241585 411355271 /nfs/dbraw/zinc/35/52/71/411355271.db2.gz DINYBVPHWPXCIH-AVGNSLFASA-N 2 2 226.408 2.870 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H](C)C(C)(C)C ZINC000304241583 411355441 /nfs/dbraw/zinc/35/54/41/411355441.db2.gz DINYBVPHWPXCIH-AGIUHOORSA-N 2 2 226.408 2.870 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H](C)C(C)(C)C ZINC000304241583 411355444 /nfs/dbraw/zinc/35/54/44/411355444.db2.gz DINYBVPHWPXCIH-AGIUHOORSA-N 2 2 226.408 2.870 20 0 BFADLP C[C@@H](CCc1ccccc1)C[N@H+](C)CC(C)(C)[NH3+] ZINC000656782416 411360215 /nfs/dbraw/zinc/36/02/15/411360215.db2.gz GMRJVAOVOTWRRU-AWEZNQCLSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H](CCc1ccccc1)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656782416 411360217 /nfs/dbraw/zinc/36/02/17/411360217.db2.gz GMRJVAOVOTWRRU-AWEZNQCLSA-N 2 2 248.414 2.924 20 0 BFADLP Cc1cc[nH+]c(NCc2[nH+]ccn2C(C)C)c1 ZINC000656767260 411360766 /nfs/dbraw/zinc/36/07/66/411360766.db2.gz IIRDXVCOAABNLR-UHFFFAOYSA-N 2 2 230.315 2.780 20 0 BFADLP [NH3+]C1(C[NH2+]Cc2ccccc2Cl)CCCC1 ZINC000656788301 411367909 /nfs/dbraw/zinc/36/79/09/411367909.db2.gz IIQBIMVWQQFSSU-UHFFFAOYSA-N 2 2 238.762 2.701 20 0 BFADLP Cc1cc(C)c([C@H](C)[N@H+](C)CC[NH3+])c(C)c1 ZINC000054416783 411334896 /nfs/dbraw/zinc/33/48/96/411334896.db2.gz NXQZVKJLEVZWFE-ZDUSSCGKSA-N 2 2 220.360 2.563 20 0 BFADLP Cc1cc(C)c([C@H](C)[N@@H+](C)CC[NH3+])c(C)c1 ZINC000054416783 411334901 /nfs/dbraw/zinc/33/49/01/411334901.db2.gz NXQZVKJLEVZWFE-ZDUSSCGKSA-N 2 2 220.360 2.563 20 0 BFADLP c1[nH+]cn2c1C[N@H+]([C@H]1C=CCCCCC1)CC2 ZINC000660582973 411336442 /nfs/dbraw/zinc/33/64/42/411336442.db2.gz CMXNXNKEANHMIV-ZDUSSCGKSA-N 2 2 231.343 2.588 20 0 BFADLP c1[nH+]cn2c1C[N@@H+]([C@H]1C=CCCCCC1)CC2 ZINC000660582973 411336445 /nfs/dbraw/zinc/33/64/45/411336445.db2.gz CMXNXNKEANHMIV-ZDUSSCGKSA-N 2 2 231.343 2.588 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@@H+](C)C(C)C ZINC000359076789 168102887 /nfs/dbraw/zinc/10/28/87/168102887.db2.gz BNBWSVFHQFPDFC-GJZGRUSLSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[N@H+](C)C(C)C ZINC000359076789 168102890 /nfs/dbraw/zinc/10/28/90/168102890.db2.gz BNBWSVFHQFPDFC-GJZGRUSLSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H](C)[NH+](C)C ZINC000336746574 168104633 /nfs/dbraw/zinc/10/46/33/168104633.db2.gz RMJKUDRURPLWMU-MJBXVCDLSA-N 2 2 224.392 2.519 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000235701596 168123638 /nfs/dbraw/zinc/12/36/38/168123638.db2.gz SMWYZZUNNDSPER-UKRRQHHQSA-N 2 2 247.386 2.855 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000300079308 168131169 /nfs/dbraw/zinc/13/11/69/168131169.db2.gz SPWLHHVUNSNYOL-AEGPPILISA-N 2 2 248.414 2.805 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300079308 168131171 /nfs/dbraw/zinc/13/11/71/168131171.db2.gz SPWLHHVUNSNYOL-AEGPPILISA-N 2 2 248.414 2.805 20 0 BFADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000309707683 168147756 /nfs/dbraw/zinc/14/77/56/168147756.db2.gz IHQBMPCCNHWQPK-NPCAHTBFSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C1CC(C)C1 ZINC000309707683 168147758 /nfs/dbraw/zinc/14/77/58/168147758.db2.gz IHQBMPCCNHWQPK-NPCAHTBFSA-N 2 2 246.398 2.895 20 0 BFADLP CC1CCC([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000336728125 168165073 /nfs/dbraw/zinc/16/50/73/168165073.db2.gz CIMKBMRBHVPVQA-HHTDUIENSA-N 2 2 224.392 2.637 20 0 BFADLP CC1CCC([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000336728125 168165074 /nfs/dbraw/zinc/16/50/74/168165074.db2.gz CIMKBMRBHVPVQA-HHTDUIENSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000119016171 168185305 /nfs/dbraw/zinc/18/53/05/168185305.db2.gz ZBYCTBXOBILBKB-UONOGXRCSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000119016121 168186062 /nfs/dbraw/zinc/18/60/62/168186062.db2.gz ZBYCTBXOBILBKB-KGLIPLIRSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC12CCCC2 ZINC000353314585 411389157 /nfs/dbraw/zinc/38/91/57/411389157.db2.gz NBJAVHSTXJMSBN-QWHCGFSZSA-N 2 2 233.359 2.584 20 0 BFADLP CC(C)=CCC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000662233539 411382356 /nfs/dbraw/zinc/38/23/56/411382356.db2.gz GOLPSACXCFCHFL-QWHCGFSZSA-N 2 2 210.365 2.544 20 0 BFADLP CC(C)=CCC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000662233539 411382358 /nfs/dbraw/zinc/38/23/58/411382358.db2.gz GOLPSACXCFCHFL-QWHCGFSZSA-N 2 2 210.365 2.544 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000653589864 411426009 /nfs/dbraw/zinc/42/60/09/411426009.db2.gz AGVYOHOOQDLUJA-AWEZNQCLSA-N 2 2 245.370 2.710 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000653589864 411426013 /nfs/dbraw/zinc/42/60/13/411426013.db2.gz AGVYOHOOQDLUJA-AWEZNQCLSA-N 2 2 245.370 2.710 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000657285568 411444112 /nfs/dbraw/zinc/44/41/12/411444112.db2.gz JKWROFPYLAVVEH-DYEKYZERSA-N 2 2 247.386 2.744 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2CCCn3cc[nH+]c32)c1 ZINC000655739148 411444695 /nfs/dbraw/zinc/44/46/95/411444695.db2.gz XUKDEDNHQAHCCW-NSHDSACASA-N 2 2 228.299 2.534 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C(C)(C)C)CC1(C)C ZINC000414764753 411445184 /nfs/dbraw/zinc/44/51/84/411445184.db2.gz ZEBLLQQXLHDQST-LBPRGKRZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)CC1(C)C ZINC000414764753 411445186 /nfs/dbraw/zinc/44/51/86/411445186.db2.gz ZEBLLQQXLHDQST-LBPRGKRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657286413 411445478 /nfs/dbraw/zinc/44/54/78/411445478.db2.gz NFRCQEZHWNPVEG-LBPRGKRZSA-N 2 2 235.375 2.744 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657331561 411468710 /nfs/dbraw/zinc/46/87/10/411468710.db2.gz GVQFWLMQAJYTGD-VXGBXAGGSA-N 2 2 247.386 2.744 20 0 BFADLP CC1([NH2+]Cc2c[nH+]c3n2CCC3)CCCCC1 ZINC000657345369 411470713 /nfs/dbraw/zinc/47/07/13/411470713.db2.gz MMURHYQIMCPHHQ-UHFFFAOYSA-N 2 2 233.359 2.642 20 0 BFADLP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000659845904 411474438 /nfs/dbraw/zinc/47/44/38/411474438.db2.gz RCTXXQPZYBANSF-FZKCQIBNSA-N 2 2 248.414 2.593 20 0 BFADLP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000659845904 411474440 /nfs/dbraw/zinc/47/44/40/411474440.db2.gz RCTXXQPZYBANSF-FZKCQIBNSA-N 2 2 248.414 2.593 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@@H](C)C1 ZINC000657358994 411476468 /nfs/dbraw/zinc/47/64/68/411476468.db2.gz OSTXGQGYKMJDNP-DYEKYZERSA-N 2 2 247.386 2.744 20 0 BFADLP CC1CCC(C)([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657356293 411478135 /nfs/dbraw/zinc/47/81/35/411478135.db2.gz JWBMWNGUCVFBEA-UHFFFAOYSA-N 2 2 247.386 2.888 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000660069067 411533168 /nfs/dbraw/zinc/53/31/68/411533168.db2.gz XEWODRDDVBCJBM-AWEZNQCLSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000660069067 411533169 /nfs/dbraw/zinc/53/31/69/411533169.db2.gz XEWODRDDVBCJBM-AWEZNQCLSA-N 2 2 224.392 2.805 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657372462 411485197 /nfs/dbraw/zinc/48/51/97/411485197.db2.gz FGQFELHDLNETHF-QWHCGFSZSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C[C@@H]1C ZINC000657435057 411506981 /nfs/dbraw/zinc/50/69/81/411506981.db2.gz KYOZCJDDLLMULX-FRRDWIJNSA-N 2 2 247.386 2.744 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C[C@H]1C ZINC000657435060 411507179 /nfs/dbraw/zinc/50/71/79/411507179.db2.gz KYOZCJDDLLMULX-UPJWGTAASA-N 2 2 247.386 2.744 20 0 BFADLP CC1CCC(C[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657327935 411466015 /nfs/dbraw/zinc/46/60/15/411466015.db2.gz NJMCCPRAQXOBSG-UHFFFAOYSA-N 2 2 247.386 2.745 20 0 BFADLP c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655856627 411539229 /nfs/dbraw/zinc/53/92/29/411539229.db2.gz PNUODUMWPAIXIX-CVEARBPZSA-N 2 2 244.382 2.793 20 0 BFADLP c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655856627 411539232 /nfs/dbraw/zinc/53/92/32/411539232.db2.gz PNUODUMWPAIXIX-CVEARBPZSA-N 2 2 244.382 2.793 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000177307568 170024411 /nfs/dbraw/zinc/02/44/11/170024411.db2.gz DKZKGHSTLQGELN-CVEARBPZSA-N 2 2 244.382 2.745 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000177307568 170024413 /nfs/dbraw/zinc/02/44/13/170024413.db2.gz DKZKGHSTLQGELN-CVEARBPZSA-N 2 2 244.382 2.745 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000177307568 170024414 /nfs/dbraw/zinc/02/44/14/170024414.db2.gz DKZKGHSTLQGELN-CVEARBPZSA-N 2 2 244.382 2.745 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000177307568 170024415 /nfs/dbraw/zinc/02/44/15/170024415.db2.gz DKZKGHSTLQGELN-CVEARBPZSA-N 2 2 244.382 2.745 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC000358102302 170029543 /nfs/dbraw/zinc/02/95/43/170029543.db2.gz TVVFYXVLAGPPCC-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC000358102302 170029545 /nfs/dbraw/zinc/02/95/45/170029545.db2.gz TVVFYXVLAGPPCC-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP C1=CC[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655858386 411540267 /nfs/dbraw/zinc/54/02/67/411540267.db2.gz ZDABXOMNVSWBTQ-JYJNAYRXSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655858386 411540269 /nfs/dbraw/zinc/54/02/69/411540269.db2.gz ZDABXOMNVSWBTQ-JYJNAYRXSA-N 2 2 248.414 2.949 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]CCC(C)(C)C2CC2)[C@@H](C)C1 ZINC000339566420 170034744 /nfs/dbraw/zinc/03/47/44/170034744.db2.gz AWWKXSPLUBSUOH-JSGCOSHPSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC000358102304 170035496 /nfs/dbraw/zinc/03/54/96/170035496.db2.gz TVVFYXVLAGPPCC-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000358102301 170036814 /nfs/dbraw/zinc/03/68/14/170036814.db2.gz TVVFYXVLAGPPCC-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000358102301 170036816 /nfs/dbraw/zinc/03/68/16/170036816.db2.gz TVVFYXVLAGPPCC-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC(C)(C)C2CC2)C1 ZINC000339566419 170036961 /nfs/dbraw/zinc/03/69/61/170036961.db2.gz AWWKXSPLUBSUOH-GXTWGEPZSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC(C)(C)C2CC2)C1 ZINC000339566419 170036962 /nfs/dbraw/zinc/03/69/62/170036962.db2.gz AWWKXSPLUBSUOH-GXTWGEPZSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C(C)C)C1 ZINC000336779296 170037334 /nfs/dbraw/zinc/03/73/34/170037334.db2.gz NWLIFAHKFXQMPM-QWHCGFSZSA-N 2 2 226.408 2.598 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC(C)(C)C(C)C)C1 ZINC000336779296 170037335 /nfs/dbraw/zinc/03/73/35/170037335.db2.gz NWLIFAHKFXQMPM-QWHCGFSZSA-N 2 2 226.408 2.598 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000657522829 411541082 /nfs/dbraw/zinc/54/10/82/411541082.db2.gz FFINQIPHHXVGKP-KBPBESRZSA-N 2 2 236.403 2.805 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000657522829 411541083 /nfs/dbraw/zinc/54/10/83/411541083.db2.gz FFINQIPHHXVGKP-KBPBESRZSA-N 2 2 236.403 2.805 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CC1(C)C ZINC000657527200 411541784 /nfs/dbraw/zinc/54/17/84/411541784.db2.gz SEPBYTVODHFQHS-YNEHKIRRSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)[C@H]1CC1(C)C ZINC000657527200 411541786 /nfs/dbraw/zinc/54/17/86/411541786.db2.gz SEPBYTVODHFQHS-YNEHKIRRSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CCCCC1 ZINC000657525138 411543401 /nfs/dbraw/zinc/54/34/01/411543401.db2.gz UEJIERSNYHNGQA-ZDUSSCGKSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CCCCC1 ZINC000657525138 411543403 /nfs/dbraw/zinc/54/34/03/411543403.db2.gz UEJIERSNYHNGQA-ZDUSSCGKSA-N 2 2 224.392 2.782 20 0 BFADLP C1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655849135 411536487 /nfs/dbraw/zinc/53/64/87/411536487.db2.gz NLIGPQJPNURACG-HUUCEWRRSA-N 2 2 236.403 2.926 20 0 BFADLP C1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655849135 411536491 /nfs/dbraw/zinc/53/64/91/411536491.db2.gz NLIGPQJPNURACG-HUUCEWRRSA-N 2 2 236.403 2.926 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849236 411536628 /nfs/dbraw/zinc/53/66/28/411536628.db2.gz REHVFGYZFDCVDW-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849236 411536630 /nfs/dbraw/zinc/53/66/30/411536630.db2.gz REHVFGYZFDCVDW-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848900 411536658 /nfs/dbraw/zinc/53/66/58/411536658.db2.gz LGXFJQJCDCLUDU-BFHYXJOUSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848900 411536660 /nfs/dbraw/zinc/53/66/60/411536660.db2.gz LGXFJQJCDCLUDU-BFHYXJOUSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000655849228 411537187 /nfs/dbraw/zinc/53/71/87/411537187.db2.gz QVCSEAOXULLBSW-KKUMJFAQSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000655849228 411537191 /nfs/dbraw/zinc/53/71/91/411537191.db2.gz QVCSEAOXULLBSW-KKUMJFAQSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849380 411537741 /nfs/dbraw/zinc/53/77/41/411537741.db2.gz URMVHBXOIBFYBB-CBBWQLFWSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849380 411537742 /nfs/dbraw/zinc/53/77/42/411537742.db2.gz URMVHBXOIBFYBB-CBBWQLFWSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849712 411538231 /nfs/dbraw/zinc/53/82/31/411538231.db2.gz PMVUSSWSFZBBNR-BARDWOONSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849712 411538234 /nfs/dbraw/zinc/53/82/34/411538234.db2.gz PMVUSSWSFZBBNR-BARDWOONSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849721 411538308 /nfs/dbraw/zinc/53/83/08/411538308.db2.gz YHACIUCPZRVYJD-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849721 411538311 /nfs/dbraw/zinc/53/83/11/411538311.db2.gz YHACIUCPZRVYJD-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP CC[NH2+]CC[NH+]1CCC2(CCCCC2)CC1 ZINC000061819380 170113375 /nfs/dbraw/zinc/11/33/75/170113375.db2.gz PHCBZFPGNPGHNO-UHFFFAOYSA-N 2 2 224.392 2.642 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1ccc2ccccc2c1 ZINC000228715101 170115858 /nfs/dbraw/zinc/11/58/58/170115858.db2.gz AUKJXYOIQCTZQS-UHFFFAOYSA-N 2 2 228.339 2.539 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657580560 411554827 /nfs/dbraw/zinc/55/48/27/411554827.db2.gz WNYZXMFOFJNRMU-SNVBAGLBSA-N 2 2 223.364 2.643 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]CC1(C)CCC1 ZINC000657695275 411581447 /nfs/dbraw/zinc/58/14/47/411581447.db2.gz XEWFIBOFGXOVSM-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[C@H](CC)C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660581986 411602906 /nfs/dbraw/zinc/60/29/06/411602906.db2.gz MGALHXWSYXSSAD-ZDUSSCGKSA-N 2 2 235.375 2.915 20 0 BFADLP CCCC[C@H](CC)C[N@H+]1CCn2c[nH+]cc2C1 ZINC000660581986 411602908 /nfs/dbraw/zinc/60/29/08/411602908.db2.gz MGALHXWSYXSSAD-ZDUSSCGKSA-N 2 2 235.375 2.915 20 0 BFADLP c1[nH+]cn2c1C[N@H+](CCCC1CCCC1)CC2 ZINC000660579369 411603256 /nfs/dbraw/zinc/60/32/56/411603256.db2.gz WJIVIMNPTCHWKD-UHFFFAOYSA-N 2 2 233.359 2.669 20 0 BFADLP c1[nH+]cn2c1C[N@@H+](CCCC1CCCC1)CC2 ZINC000660579369 411603257 /nfs/dbraw/zinc/60/32/57/411603257.db2.gz WJIVIMNPTCHWKD-UHFFFAOYSA-N 2 2 233.359 2.669 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657816974 411605795 /nfs/dbraw/zinc/60/57/95/411605795.db2.gz LGCZMJJFTYVORY-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cccc2c1CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000663502917 411686543 /nfs/dbraw/zinc/68/65/43/411686543.db2.gz IXGVEVDOUZBSFF-CZUORRHYSA-N 2 2 244.382 2.714 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000663509086 411689474 /nfs/dbraw/zinc/68/94/74/411689474.db2.gz WGUMTRRVKGXUBW-CYBMUJFWSA-N 2 2 234.387 2.583 20 0 BFADLP C[C@H](CCNc1ccc2ccccc2[nH+]1)[NH+](C)C ZINC000664247741 411898280 /nfs/dbraw/zinc/89/82/80/411898280.db2.gz RXSNKQDUODEXIF-GFCCVEGCSA-N 2 2 243.354 2.987 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000233900838 170898444 /nfs/dbraw/zinc/89/84/44/170898444.db2.gz XPEGMLRKIKJLKJ-WDEREUQCSA-N 2 2 224.373 2.541 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC000662233187 412031747 /nfs/dbraw/zinc/03/17/47/412031747.db2.gz BJHASEDMQSACMA-OCCSQVGLSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCCC1CCC1 ZINC000662233187 412031748 /nfs/dbraw/zinc/03/17/48/412031748.db2.gz BJHASEDMQSACMA-OCCSQVGLSA-N 2 2 224.392 2.768 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000309708629 171049685 /nfs/dbraw/zinc/04/96/85/171049685.db2.gz PRYQDVGBXVBURV-FQUUOJAGSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1CC ZINC000310015742 171059256 /nfs/dbraw/zinc/05/92/56/171059256.db2.gz KVNVGDMCSLIVKE-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1CC ZINC000310015742 171059257 /nfs/dbraw/zinc/05/92/57/171059257.db2.gz KVNVGDMCSLIVKE-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)=CCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000662273920 412065302 /nfs/dbraw/zinc/06/53/02/412065302.db2.gz BIHQFOLCERYWBO-CABCVRRESA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)=CCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000662273920 412065305 /nfs/dbraw/zinc/06/53/05/412065305.db2.gz BIHQFOLCERYWBO-CABCVRRESA-N 2 2 236.403 2.949 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336673913 171284782 /nfs/dbraw/zinc/28/47/82/171284782.db2.gz BAZBQXWSSQDGFI-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336673913 171284783 /nfs/dbraw/zinc/28/47/83/171284783.db2.gz BAZBQXWSSQDGFI-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000309440040 171285908 /nfs/dbraw/zinc/28/59/08/171285908.db2.gz IHMLDVDOKYKZBD-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000309440040 171285909 /nfs/dbraw/zinc/28/59/09/171285909.db2.gz IHMLDVDOKYKZBD-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)C[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166585 171287421 /nfs/dbraw/zinc/28/74/21/171287421.db2.gz DJMXVYWIEIAHPQ-QWHCGFSZSA-N 2 2 214.397 2.598 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000336744070 171298336 /nfs/dbraw/zinc/29/83/36/171298336.db2.gz UMJBTIGALLPNKW-RFQIPJPRSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000336744070 171298337 /nfs/dbraw/zinc/29/83/37/171298337.db2.gz UMJBTIGALLPNKW-RFQIPJPRSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)c1ccc2c(c1)C[N@H+](C[C@@H](C)[NH3+])CC2 ZINC000662298260 412083300 /nfs/dbraw/zinc/08/33/00/412083300.db2.gz AUJMLEZGRCCTNU-GFCCVEGCSA-N 2 2 232.371 2.515 20 0 BFADLP CC(C)c1ccc2c(c1)C[N@@H+](C[C@@H](C)[NH3+])CC2 ZINC000662298260 412083305 /nfs/dbraw/zinc/08/33/05/412083305.db2.gz AUJMLEZGRCCTNU-GFCCVEGCSA-N 2 2 232.371 2.515 20 0 BFADLP CC[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000309190231 171340299 /nfs/dbraw/zinc/34/02/99/171340299.db2.gz PMNCTIFLMRZEMY-NSHDSACASA-N 2 2 206.333 2.711 20 0 BFADLP CC[C@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186717 171341093 /nfs/dbraw/zinc/34/10/93/171341093.db2.gz JTHXFXIYTVGLRB-NSHDSACASA-N 2 2 231.343 2.733 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438732 171389786 /nfs/dbraw/zinc/38/97/86/171389786.db2.gz OWLWRQBRCCPILV-RYUDHWBXSA-N 2 2 235.375 2.744 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC000665277255 412220955 /nfs/dbraw/zinc/22/09/55/412220955.db2.gz XRISYYHOOUUVNT-VQCLRJIVSA-N 2 2 244.382 2.706 20 0 BFADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccccc1F ZINC000665278477 412221996 /nfs/dbraw/zinc/22/19/96/412221996.db2.gz GGXFRFQJCWXTLA-WPBUFGDCSA-N 2 2 248.345 2.618 20 0 BFADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccsc1 ZINC000665279580 412223030 /nfs/dbraw/zinc/22/30/30/412223030.db2.gz GMANKEMUGJQODE-YDGIUTOCSA-N 2 2 236.384 2.541 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000665293775 412238675 /nfs/dbraw/zinc/23/86/75/412238675.db2.gz CHIQNTZBZQZTMM-MNOVXSKESA-N 2 2 238.400 2.667 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000665294268 412239106 /nfs/dbraw/zinc/23/91/06/412239106.db2.gz LHVFZPRMQAPERP-KGLIPLIRSA-N 2 2 234.387 2.870 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(C)cc1 ZINC000665293962 412239132 /nfs/dbraw/zinc/23/91/32/412239132.db2.gz GEAFWMOORDBHDG-OCCSQVGLSA-N 2 2 220.360 2.644 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000665293776 412239221 /nfs/dbraw/zinc/23/92/21/412239221.db2.gz CHIQNTZBZQZTMM-QWRGUYRKSA-N 2 2 238.400 2.667 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000665294917 412240852 /nfs/dbraw/zinc/24/08/52/412240852.db2.gz YRNCNKXHFZBBGT-HUBLWGQQSA-N 2 2 232.371 2.823 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000665296743 412244088 /nfs/dbraw/zinc/24/40/88/412244088.db2.gz XIQOWDJVZLJZPM-UWVGGRQHSA-N 2 2 249.383 2.555 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000665296742 412244823 /nfs/dbraw/zinc/24/48/23/412244823.db2.gz XIQOWDJVZLJZPM-NXEZZACHSA-N 2 2 249.383 2.555 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@@H](C)c2ccsc21 ZINC000665298347 412247023 /nfs/dbraw/zinc/24/70/23/412247023.db2.gz VFFRFTCBXCCORA-SCVCMEIPSA-N 2 2 238.400 2.884 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000133019773 412391176 /nfs/dbraw/zinc/39/11/76/412391176.db2.gz OICDXNZFSCJGJN-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1C1CC1 ZINC000133019773 412391178 /nfs/dbraw/zinc/39/11/78/412391178.db2.gz OICDXNZFSCJGJN-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337988368 172395940 /nfs/dbraw/zinc/39/59/40/172395940.db2.gz WOMFMKVMXDQGGM-CHWSQXEVSA-N 2 2 244.398 2.835 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCCCCCC1 ZINC000107792377 173057268 /nfs/dbraw/zinc/05/72/68/173057268.db2.gz OUTCQDXBBQZXPY-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCCCCCC1 ZINC000107792377 173057269 /nfs/dbraw/zinc/05/72/69/173057269.db2.gz OUTCQDXBBQZXPY-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP C[NH2+]CC[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000062010681 173353644 /nfs/dbraw/zinc/35/36/44/173353644.db2.gz PRKKHFWLPYCXKG-SNVBAGLBSA-N 2 2 226.751 2.552 20 0 BFADLP C[NH2+]CC[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000062010681 173353645 /nfs/dbraw/zinc/35/36/45/173353645.db2.gz PRKKHFWLPYCXKG-SNVBAGLBSA-N 2 2 226.751 2.552 20 0 BFADLP C[C@@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)C(C)(C)C ZINC000671312030 487627543 /nfs/dbraw/zinc/62/75/43/487627543.db2.gz YTFPGGCWNYSTRY-LBPRGKRZSA-N 2 2 249.402 2.991 20 0 BFADLP C[C@@H](c1ccccn1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162408765 176026754 /nfs/dbraw/zinc/02/67/54/176026754.db2.gz OLUHMCSQUGEOJO-KBPBESRZSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1ccccn1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162408765 176026756 /nfs/dbraw/zinc/02/67/56/176026756.db2.gz OLUHMCSQUGEOJO-KBPBESRZSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1ccccn1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000162408765 176026757 /nfs/dbraw/zinc/02/67/57/176026757.db2.gz OLUHMCSQUGEOJO-KBPBESRZSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1ccccn1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000162408765 176026759 /nfs/dbraw/zinc/02/67/59/176026759.db2.gz OLUHMCSQUGEOJO-KBPBESRZSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC1(C)C ZINC000336778740 176070535 /nfs/dbraw/zinc/07/05/35/176070535.db2.gz MEZPDXDPLZHETM-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC1(C)C ZINC000336778740 176070537 /nfs/dbraw/zinc/07/05/37/176070537.db2.gz MEZPDXDPLZHETM-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+]CCCn1cc[nH+]c1 ZINC000042861030 176076218 /nfs/dbraw/zinc/07/62/18/176076218.db2.gz DTPIPOYCHZDZTQ-ZIAGYGMSSA-N 2 2 235.375 2.689 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CCCn1cc[nH+]c1 ZINC000020305993 176113161 /nfs/dbraw/zinc/11/31/61/176113161.db2.gz DTEKLJDCZZXPLF-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000133122674 176213088 /nfs/dbraw/zinc/21/30/88/176213088.db2.gz ZCICIHDOBURUPK-XNRPHZJLSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357799317 176276841 /nfs/dbraw/zinc/27/68/41/176276841.db2.gz SZZGNERGTKLPNM-MLGOLLRUSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357799317 176276843 /nfs/dbraw/zinc/27/68/43/176276843.db2.gz SZZGNERGTKLPNM-MLGOLLRUSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)CC[C@@H]1[NH3+] ZINC000086884281 176301364 /nfs/dbraw/zinc/30/13/64/176301364.db2.gz CGSQINOQWLWGRB-KCJUWKMLSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)CC[C@@H]1[NH3+] ZINC000086884281 176301365 /nfs/dbraw/zinc/30/13/65/176301365.db2.gz CGSQINOQWLWGRB-KCJUWKMLSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccs2)CC[N@@H+]1C ZINC000093644035 176371282 /nfs/dbraw/zinc/37/12/82/176371282.db2.gz BWRVLUXBEQEZSV-NEPJUHHUSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cccs2)CC[N@H+]1C ZINC000093644035 176371284 /nfs/dbraw/zinc/37/12/84/176371284.db2.gz BWRVLUXBEQEZSV-NEPJUHHUSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccs2)CC[NH+]1C ZINC000093644035 176371285 /nfs/dbraw/zinc/37/12/85/176371285.db2.gz BWRVLUXBEQEZSV-NEPJUHHUSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccs2)CC[NH+]1C ZINC000093644035 176371286 /nfs/dbraw/zinc/37/12/86/176371286.db2.gz BWRVLUXBEQEZSV-NEPJUHHUSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)CC(C)(C)C1 ZINC000041063665 176376019 /nfs/dbraw/zinc/37/60/19/176376019.db2.gz WOWDUOXUDYGRIC-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000122285607 176377838 /nfs/dbraw/zinc/37/78/38/176377838.db2.gz HMBHWEVDMMXXMV-BXUZGUMPSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000122285607 176377840 /nfs/dbraw/zinc/37/78/40/176377840.db2.gz HMBHWEVDMMXXMV-BXUZGUMPSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000282681772 176865161 /nfs/dbraw/zinc/86/51/61/176865161.db2.gz ACNMZQRKXBUCPJ-SDADXPQNSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1F ZINC000049553124 176909447 /nfs/dbraw/zinc/90/94/47/176909447.db2.gz CQSOBJJYRZWGHT-NEPJUHHUSA-N 2 2 238.350 2.817 20 0 BFADLP C[C@H](c1cccnc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245588990 177045293 /nfs/dbraw/zinc/04/52/93/177045293.db2.gz FPKPZKANMQRHPE-UKRRQHHQSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1cccnc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245588990 177045294 /nfs/dbraw/zinc/04/52/94/177045294.db2.gz FPKPZKANMQRHPE-UKRRQHHQSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1cccnc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245588990 177045295 /nfs/dbraw/zinc/04/52/95/177045295.db2.gz FPKPZKANMQRHPE-UKRRQHHQSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1cccnc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245588990 177045296 /nfs/dbraw/zinc/04/52/96/177045296.db2.gz FPKPZKANMQRHPE-UKRRQHHQSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000336776828 177075102 /nfs/dbraw/zinc/07/51/02/177075102.db2.gz GUBISLCIIFCYSK-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CC(C)(C)C1 ZINC000336776828 177075105 /nfs/dbraw/zinc/07/51/05/177075105.db2.gz GUBISLCIIFCYSK-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[NH2+]CCCn1cc[nH+]c1 ZINC000042861033 177079990 /nfs/dbraw/zinc/07/99/90/177079990.db2.gz DTPIPOYCHZDZTQ-UONOGXRCSA-N 2 2 235.375 2.689 20 0 BFADLP C[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000183458272 177102568 /nfs/dbraw/zinc/10/25/68/177102568.db2.gz XDBAWVQMISGILU-LBPRGKRZSA-N 2 2 229.327 2.566 20 0 BFADLP C[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000183458272 177102570 /nfs/dbraw/zinc/10/25/70/177102570.db2.gz XDBAWVQMISGILU-LBPRGKRZSA-N 2 2 229.327 2.566 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353627509 177118637 /nfs/dbraw/zinc/11/86/37/177118637.db2.gz WJTKVGSDSMWREU-ZAZJYDDPSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353627509 177118638 /nfs/dbraw/zinc/11/86/38/177118638.db2.gz WJTKVGSDSMWREU-ZAZJYDDPSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H]1CCC[C@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000336495374 177133023 /nfs/dbraw/zinc/13/30/23/177133023.db2.gz WCYGDSWUZKCPJA-STQMWFEESA-N 2 2 233.359 2.525 20 0 BFADLP C[C@H]1CCC[C@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000336495374 177133024 /nfs/dbraw/zinc/13/30/24/177133024.db2.gz WCYGDSWUZKCPJA-STQMWFEESA-N 2 2 233.359 2.525 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000129231803 177193237 /nfs/dbraw/zinc/19/32/37/177193237.db2.gz IWTMIVVJWFOZCL-CBBWQLFWSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@H]1CC[C@@]2(CC[N@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000364680690 177196692 /nfs/dbraw/zinc/19/66/92/177196692.db2.gz AXGSKZNESPJSRL-LSDHHAIUSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@H]1CC[C@@]2(CC[N@@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000364680690 177196693 /nfs/dbraw/zinc/19/66/93/177196693.db2.gz AXGSKZNESPJSRL-LSDHHAIUSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@H]1CC[C@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000353125242 177207303 /nfs/dbraw/zinc/20/73/03/177207303.db2.gz ATXQBWVJRKGHFK-GXFFZTMASA-N 2 2 247.367 2.822 20 0 BFADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1 ZINC000274970927 177234206 /nfs/dbraw/zinc/23/42/06/177234206.db2.gz CCTLMSQSXNHCHW-WCQYABFASA-N 2 2 238.400 2.520 20 0 BFADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccsc1 ZINC000274970927 177234207 /nfs/dbraw/zinc/23/42/07/177234207.db2.gz CCTLMSQSXNHCHW-WCQYABFASA-N 2 2 238.400 2.520 20 0 BFADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccsc1 ZINC000274970927 177234208 /nfs/dbraw/zinc/23/42/08/177234208.db2.gz CCTLMSQSXNHCHW-WCQYABFASA-N 2 2 238.400 2.520 20 0 BFADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccsc1 ZINC000274970927 177234209 /nfs/dbraw/zinc/23/42/09/177234209.db2.gz CCTLMSQSXNHCHW-WCQYABFASA-N 2 2 238.400 2.520 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357799312 177239180 /nfs/dbraw/zinc/23/91/80/177239180.db2.gz SZZGNERGTKLPNM-BLLLJJGKSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357799312 177239181 /nfs/dbraw/zinc/23/91/81/177239181.db2.gz SZZGNERGTKLPNM-BLLLJJGKSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)[C@H]1CC1(C)C ZINC000486967595 225277026 /nfs/dbraw/zinc/27/70/26/225277026.db2.gz IBDPUHJGEKNIOO-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)[C@H]1CC1(C)C ZINC000486967595 225277031 /nfs/dbraw/zinc/27/70/31/225277031.db2.gz IBDPUHJGEKNIOO-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000328291691 487645406 /nfs/dbraw/zinc/64/54/06/487645406.db2.gz VBHWKFAXCNCWHS-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000328291691 487645412 /nfs/dbraw/zinc/64/54/12/487645412.db2.gz VBHWKFAXCNCWHS-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000494396189 226264378 /nfs/dbraw/zinc/26/43/78/226264378.db2.gz ZEPAVJSIGCJQLF-RDBSUJKOSA-N 2 2 247.386 2.614 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000494879916 226270796 /nfs/dbraw/zinc/27/07/96/226270796.db2.gz RBGBZDWKLRGIGE-LJISPDSOSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1C ZINC000495041946 226274928 /nfs/dbraw/zinc/27/49/28/226274928.db2.gz GEOOQDULCHPELQ-CXTNEJHOSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1C ZINC000495041946 226274929 /nfs/dbraw/zinc/27/49/29/226274929.db2.gz GEOOQDULCHPELQ-CXTNEJHOSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)CCC2 ZINC000495090104 226276539 /nfs/dbraw/zinc/27/65/39/226276539.db2.gz ZVRCWUBPSHLAIW-AHLTXXRQSA-N 2 2 247.386 2.703 20 0 BFADLP Cc1ccc(C[N@@H+](C)Cc2c[nH+]c(C)n2C)s1 ZINC000667593465 487673199 /nfs/dbraw/zinc/67/31/99/487673199.db2.gz ABXUWCDWLYXTMK-UHFFFAOYSA-N 2 2 249.383 2.730 20 0 BFADLP Cc1ccc(C[N@H+](C)Cc2c[nH+]c(C)n2C)s1 ZINC000667593465 487673202 /nfs/dbraw/zinc/67/32/02/487673202.db2.gz ABXUWCDWLYXTMK-UHFFFAOYSA-N 2 2 249.383 2.730 20 0 BFADLP C[C@H](C[NH2+]C[C@@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000162950600 487673786 /nfs/dbraw/zinc/67/37/86/487673786.db2.gz HTCMEOGOAAVRAG-TZMCWYRMSA-N 2 2 234.387 2.958 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397975392 262941066 /nfs/dbraw/zinc/94/10/66/262941066.db2.gz IXSKRWJLWYIKIT-ZDUSSCGKSA-N 2 2 232.371 2.740 20 0 BFADLP CC[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667655671 487700675 /nfs/dbraw/zinc/70/06/75/487700675.db2.gz NACYMIBLJWGMPF-CYBMUJFWSA-N 2 2 247.386 2.841 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667864541 487749746 /nfs/dbraw/zinc/74/97/46/487749746.db2.gz BTNZGZQVVZPQKX-CBBWQLFWSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667864541 487749749 /nfs/dbraw/zinc/74/97/49/487749749.db2.gz BTNZGZQVVZPQKX-CBBWQLFWSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000675748688 487773877 /nfs/dbraw/zinc/77/38/77/487773877.db2.gz GIYBRYCGPRTSBH-VNHYZAJKSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000675748688 487773880 /nfs/dbraw/zinc/77/38/80/487773880.db2.gz GIYBRYCGPRTSBH-VNHYZAJKSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675748750 487773576 /nfs/dbraw/zinc/77/35/76/487773576.db2.gz JRAUJXMXIRNHIZ-BARDWOONSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675748750 487773577 /nfs/dbraw/zinc/77/35/77/487773577.db2.gz JRAUJXMXIRNHIZ-BARDWOONSA-N 2 2 238.419 2.743 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394756757 487808334 /nfs/dbraw/zinc/80/83/34/487808334.db2.gz YIUCNWKYVXTMNK-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394756757 487808337 /nfs/dbraw/zinc/80/83/37/487808337.db2.gz YIUCNWKYVXTMNK-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000385851623 487810150 /nfs/dbraw/zinc/81/01/50/487810150.db2.gz VEYPGNBWTLJTBV-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000385851623 487810159 /nfs/dbraw/zinc/81/01/59/487810159.db2.gz VEYPGNBWTLJTBV-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000668068137 487826480 /nfs/dbraw/zinc/82/64/80/487826480.db2.gz DTMRTJQXXFWZIV-OJLVUWQFSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCC[N@H+]1C1CC1 ZINC000668068137 487826487 /nfs/dbraw/zinc/82/64/87/487826487.db2.gz DTMRTJQXXFWZIV-OJLVUWQFSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H]2C2CC2)n1C ZINC000584243235 487827836 /nfs/dbraw/zinc/82/78/36/487827836.db2.gz UONUECUOKIZRCY-DZGCQCFKSA-N 2 2 247.386 2.644 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000651814552 487833988 /nfs/dbraw/zinc/83/39/88/487833988.db2.gz YQPBHCHLLUKNEG-UPJWGTAASA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000651814552 487833995 /nfs/dbraw/zinc/83/39/95/487833995.db2.gz YQPBHCHLLUKNEG-UPJWGTAASA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000651814551 487834319 /nfs/dbraw/zinc/83/43/19/487834319.db2.gz YQPBHCHLLUKNEG-JHJVBQTASA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000651814551 487834322 /nfs/dbraw/zinc/83/43/22/487834322.db2.gz YQPBHCHLLUKNEG-JHJVBQTASA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000558253750 322948146 /nfs/dbraw/zinc/94/81/46/322948146.db2.gz DLXSKDCYOWCKSX-HOCLYGCPSA-N 2 2 248.414 2.856 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCC3)[C@H]2C(C)C)n1C ZINC000668184292 487867338 /nfs/dbraw/zinc/86/73/38/487867338.db2.gz ACTKEKZAVAZPGB-CQSZACIVSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC3(CCC3)[C@H]2C(C)C)n1C ZINC000668184292 487867343 /nfs/dbraw/zinc/86/73/43/487867343.db2.gz ACTKEKZAVAZPGB-CQSZACIVSA-N 2 2 247.386 2.739 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C(C)(C)C ZINC000670267141 487874027 /nfs/dbraw/zinc/87/40/27/487874027.db2.gz RVXMJNATOOHUQR-TZMCWYRMSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000670267141 487874033 /nfs/dbraw/zinc/87/40/33/487874033.db2.gz RVXMJNATOOHUQR-TZMCWYRMSA-N 2 2 238.419 2.743 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000666758715 487874042 /nfs/dbraw/zinc/87/40/42/487874042.db2.gz FFYXBKYGNQJYSY-LBPRGKRZSA-N 2 2 242.313 2.572 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(C)cn1 ZINC000676630477 487883521 /nfs/dbraw/zinc/88/35/21/487883521.db2.gz UNRXXIHSOPWRFC-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(C)cn1 ZINC000676630477 487883529 /nfs/dbraw/zinc/88/35/29/487883529.db2.gz UNRXXIHSOPWRFC-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072311 487894842 /nfs/dbraw/zinc/89/48/42/487894842.db2.gz IIKDAJGVBDJSBX-UONOGXRCSA-N 2 2 235.375 2.955 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682072311 487894843 /nfs/dbraw/zinc/89/48/43/487894843.db2.gz IIKDAJGVBDJSBX-UONOGXRCSA-N 2 2 235.375 2.955 20 0 BFADLP CC(C)c1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668537714 487902324 /nfs/dbraw/zinc/90/23/24/487902324.db2.gz LYVOLYYNHLEAJV-UHFFFAOYSA-N 2 2 246.398 2.803 20 0 BFADLP CC(C)c1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668537714 487902328 /nfs/dbraw/zinc/90/23/28/487902328.db2.gz LYVOLYYNHLEAJV-UHFFFAOYSA-N 2 2 246.398 2.803 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947636 487911795 /nfs/dbraw/zinc/91/17/95/487911795.db2.gz DUWZPNDFPZHCNY-RFGFWPKPSA-N 2 2 242.382 2.635 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCC(C)(C)CC1)[NH+](C)C ZINC000083435611 487912794 /nfs/dbraw/zinc/91/27/94/487912794.db2.gz MGOYPVFFTFPVGL-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1F ZINC000235224091 487936460 /nfs/dbraw/zinc/93/64/60/487936460.db2.gz XEJYNXYGKZZNRG-NEPJUHHUSA-N 2 2 236.334 2.618 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235224030 487936596 /nfs/dbraw/zinc/93/65/96/487936596.db2.gz DEPWINOSPKABGJ-KGLIPLIRSA-N 2 2 232.371 2.788 20 0 BFADLP CC[N@H+](CC[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000113604360 487951041 /nfs/dbraw/zinc/95/10/41/487951041.db2.gz NCFAYOIHDMZHPU-JTQLQIEISA-N 2 2 226.751 2.682 20 0 BFADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1ccc(Cl)cc1 ZINC000113604360 487951044 /nfs/dbraw/zinc/95/10/44/487951044.db2.gz NCFAYOIHDMZHPU-JTQLQIEISA-N 2 2 226.751 2.682 20 0 BFADLP C[C@H]1CC[N@H+](CC2(C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000562626670 323025865 /nfs/dbraw/zinc/02/58/65/323025865.db2.gz VERNFVQYGUXBID-STQMWFEESA-N 2 2 233.359 2.566 20 0 BFADLP C[C@H]1CC[N@@H+](CC2(C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000562626670 323025866 /nfs/dbraw/zinc/02/58/66/323025866.db2.gz VERNFVQYGUXBID-STQMWFEESA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccsc1Cl ZINC000312584246 323036189 /nfs/dbraw/zinc/03/61/89/323036189.db2.gz ZLKFDPJQJFICGR-SCZZXKLOSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccsc1Cl ZINC000312584246 323036190 /nfs/dbraw/zinc/03/61/90/323036190.db2.gz ZLKFDPJQJFICGR-SCZZXKLOSA-N 2 2 244.791 2.713 20 0 BFADLP CCc1cccc(C[N@@H+]2CC[NH+]3CCC2CC3)c1 ZINC000569700394 323037576 /nfs/dbraw/zinc/03/75/76/323037576.db2.gz OPQRWJHPFANDGJ-UHFFFAOYSA-N 2 2 244.382 2.529 20 0 BFADLP CCc1cccc(C[N@H+]2CC[NH+]3CCC2CC3)c1 ZINC000569700394 323037577 /nfs/dbraw/zinc/03/75/77/323037577.db2.gz OPQRWJHPFANDGJ-UHFFFAOYSA-N 2 2 244.382 2.529 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000248909870 323075486 /nfs/dbraw/zinc/07/54/86/323075486.db2.gz BTJSNXNXBRATON-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC1CC1 ZINC000248909870 323075487 /nfs/dbraw/zinc/07/54/87/323075487.db2.gz BTJSNXNXBRATON-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394778770 323108821 /nfs/dbraw/zinc/10/88/21/323108821.db2.gz PUGVLBIUXYKOTR-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)C1CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000531737472 323112194 /nfs/dbraw/zinc/11/21/94/323112194.db2.gz TVTQMGCPKSOLIB-XSCHDIRWSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000531737472 323112195 /nfs/dbraw/zinc/11/21/95/323112195.db2.gz TVTQMGCPKSOLIB-XSCHDIRWSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CCC(C)(C)C2CC2)n1C ZINC000571106510 323135772 /nfs/dbraw/zinc/13/57/72/323135772.db2.gz ISBRKEZRWWLOLF-UHFFFAOYSA-N 2 2 235.375 2.644 20 0 BFADLP Cc1cccc2c1cc[nH+]c2N[C@@H](C)C[NH+](C)C ZINC000571279449 323139892 /nfs/dbraw/zinc/13/98/92/323139892.db2.gz HPAHDFKUCLQFOI-LBPRGKRZSA-N 2 2 243.354 2.905 20 0 BFADLP CCC1C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000453599794 323154627 /nfs/dbraw/zinc/15/46/27/323154627.db2.gz CNFXLWZRFFEQGA-UHFFFAOYSA-N 2 2 241.338 2.714 20 0 BFADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]12 ZINC000535745383 323190254 /nfs/dbraw/zinc/19/02/54/323190254.db2.gz NJCKZAPBCUTMIC-QLFBSQMISA-N 2 2 247.386 2.784 20 0 BFADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]12 ZINC000535745383 323190255 /nfs/dbraw/zinc/19/02/55/323190255.db2.gz NJCKZAPBCUTMIC-QLFBSQMISA-N 2 2 247.386 2.784 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]CC[NH+](CC)CC ZINC000116381809 323204925 /nfs/dbraw/zinc/20/49/25/323204925.db2.gz KIRMNIVJKWIEHS-INIZCTEOSA-N 2 2 248.414 2.939 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000532231572 323210379 /nfs/dbraw/zinc/21/03/79/323210379.db2.gz OWBPGGYQZGJFPL-YCPHGPKFSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000532231572 323210381 /nfs/dbraw/zinc/21/03/81/323210381.db2.gz OWBPGGYQZGJFPL-YCPHGPKFSA-N 2 2 246.398 2.904 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000530217771 323217210 /nfs/dbraw/zinc/21/72/10/323217210.db2.gz HMJUAEMUDXCVLT-SMDDNHRTSA-N 2 2 248.345 2.761 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000530219389 323217893 /nfs/dbraw/zinc/21/78/93/323217893.db2.gz LLKYGHIWYIQTKU-ZYHUDNBSSA-N 2 2 236.384 2.683 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000532502855 323271887 /nfs/dbraw/zinc/27/18/87/323271887.db2.gz JSJVYBKWUSZUOR-YCPHGPKFSA-N 2 2 246.398 2.638 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000532502855 323271891 /nfs/dbraw/zinc/27/18/91/323271891.db2.gz JSJVYBKWUSZUOR-YCPHGPKFSA-N 2 2 246.398 2.638 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000532531536 323273935 /nfs/dbraw/zinc/27/39/35/323273935.db2.gz HVGHRKCUSUOJQP-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000532531536 323273937 /nfs/dbraw/zinc/27/39/37/323273937.db2.gz HVGHRKCUSUOJQP-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1 ZINC000532531061 323274096 /nfs/dbraw/zinc/27/40/96/323274096.db2.gz GXDULRVMXGIVKK-CABCVRRESA-N 2 2 246.398 2.987 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1 ZINC000532531061 323274099 /nfs/dbraw/zinc/27/40/99/323274099.db2.gz GXDULRVMXGIVKK-CABCVRRESA-N 2 2 246.398 2.987 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000532532165 323274278 /nfs/dbraw/zinc/27/42/78/323274278.db2.gz HCGGQPDZWOWCGJ-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000532532165 323274280 /nfs/dbraw/zinc/27/42/80/323274280.db2.gz HCGGQPDZWOWCGJ-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000396678912 323652154 /nfs/dbraw/zinc/65/21/54/323652154.db2.gz VBGALOQOFMEJNF-MFKMUULPSA-N 2 2 238.762 2.570 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045105677 323837473 /nfs/dbraw/zinc/83/74/73/323837473.db2.gz HJKFHPVUYLTPQI-STQMWFEESA-N 2 2 223.364 2.688 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000537296513 324062919 /nfs/dbraw/zinc/06/29/19/324062919.db2.gz UFCXNVCXFDOZFY-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000537296513 324062918 /nfs/dbraw/zinc/06/29/18/324062918.db2.gz UFCXNVCXFDOZFY-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529643229 324369982 /nfs/dbraw/zinc/36/99/82/324369982.db2.gz XRPMQCWJZIMSRZ-NFAWXSAZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529643229 324369987 /nfs/dbraw/zinc/36/99/87/324369987.db2.gz XRPMQCWJZIMSRZ-NFAWXSAZSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C(C)C ZINC000037240774 324463706 /nfs/dbraw/zinc/46/37/06/324463706.db2.gz UZNNGJLDVBSDMU-KGLIPLIRSA-N 2 2 228.424 2.987 20 0 BFADLP C(=C\c1ccccc1)\C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178741 324509580 /nfs/dbraw/zinc/50/95/80/324509580.db2.gz QFHXUURWELFIJN-UVCVVPOWSA-N 2 2 242.366 2.574 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)ccc1F ZINC000530179094 324510696 /nfs/dbraw/zinc/51/06/96/324510696.db2.gz SXVMTXYYHSIJLD-CQSZACIVSA-N 2 2 248.345 2.508 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530218209 324535852 /nfs/dbraw/zinc/53/58/52/324535852.db2.gz IERSEDALXLVCGO-JQWIXIFHSA-N 2 2 236.384 2.683 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530223479 324542344 /nfs/dbraw/zinc/54/23/44/324542344.db2.gz SPFOJCAHHRREHI-DZGCQCFKSA-N 2 2 244.382 2.930 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C3(C4CC4)CC3)n2c1 ZINC000540612494 324908313 /nfs/dbraw/zinc/90/83/13/324908313.db2.gz YXRPWGWOTFOXAV-UHFFFAOYSA-N 2 2 241.338 2.675 20 0 BFADLP CCCC[C@H](CC)[NH2+]CC(C)(C)[NH+](C)C ZINC000068985792 324917664 /nfs/dbraw/zinc/91/76/64/324917664.db2.gz DTFBLQLULNLHLJ-LBPRGKRZSA-N 2 2 214.397 2.885 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000130808731 325090774 /nfs/dbraw/zinc/09/07/74/325090774.db2.gz LNHLLBHDRGYGOH-HOTGVXAUSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000130808731 325090776 /nfs/dbraw/zinc/09/07/76/325090776.db2.gz LNHLLBHDRGYGOH-HOTGVXAUSA-N 2 2 246.398 2.864 20 0 BFADLP CC(C)(C)C[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000130892791 325099959 /nfs/dbraw/zinc/09/99/59/325099959.db2.gz QNINZGQTXFKLGE-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)(C)C[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000130892791 325099960 /nfs/dbraw/zinc/09/99/60/325099960.db2.gz QNINZGQTXFKLGE-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP CCCC[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000130983901 325106444 /nfs/dbraw/zinc/10/64/44/325106444.db2.gz STNWNXAANBJWMJ-NEPJUHHUSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000130983901 325106448 /nfs/dbraw/zinc/10/64/48/325106448.db2.gz STNWNXAANBJWMJ-NEPJUHHUSA-N 2 2 212.381 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)[N@H+](C)C1CC1 ZINC000131036544 325109616 /nfs/dbraw/zinc/10/96/16/325109616.db2.gz FSLQGPZTFPGFHG-YRGRVCCFSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000131036544 325109620 /nfs/dbraw/zinc/10/96/20/325109620.db2.gz FSLQGPZTFPGFHG-YRGRVCCFSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000543762293 325112438 /nfs/dbraw/zinc/11/24/38/325112438.db2.gz HQUPBODMGCQLCB-KBUPBQIOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000543762293 325112439 /nfs/dbraw/zinc/11/24/39/325112439.db2.gz HQUPBODMGCQLCB-KBUPBQIOSA-N 2 2 238.419 2.743 20 0 BFADLP c1c[nH+]c(CNc2cccc3cc[nH+]cc32)[nH]1 ZINC000131117336 325118776 /nfs/dbraw/zinc/11/87/76/325118776.db2.gz NZHHNKHTVTWULB-UHFFFAOYSA-N 2 2 224.267 2.570 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CCCCn1cc[nH+]c1 ZINC000545279572 325206124 /nfs/dbraw/zinc/20/61/24/325206124.db2.gz JEIJAUMLQNCKHI-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP CCC(C)(C)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000133046421 325262664 /nfs/dbraw/zinc/26/26/64/325262664.db2.gz OBLRIGOCSFLPJX-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP CCC(C)(C)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000133046421 325262668 /nfs/dbraw/zinc/26/26/68/325262668.db2.gz OBLRIGOCSFLPJX-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000252859977 325698748 /nfs/dbraw/zinc/69/87/48/325698748.db2.gz MRBPUUXIBCMBKY-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1c[nH+]ccc1CC[N@@H+](C)CCC(F)(F)F ZINC000566154895 326003797 /nfs/dbraw/zinc/00/37/97/326003797.db2.gz NIZQSYYASFFURB-UHFFFAOYSA-N 2 2 246.276 2.817 20 0 BFADLP Cc1c[nH+]ccc1CC[N@H+](C)CCC(F)(F)F ZINC000566154895 326003799 /nfs/dbraw/zinc/00/37/99/326003799.db2.gz NIZQSYYASFFURB-UHFFFAOYSA-N 2 2 246.276 2.817 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566414917 326041947 /nfs/dbraw/zinc/04/19/47/326041947.db2.gz UDQJTLFTNTXJTD-QWHCGFSZSA-N 2 2 235.375 2.644 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566414917 326041950 /nfs/dbraw/zinc/04/19/50/326041950.db2.gz UDQJTLFTNTXJTD-QWHCGFSZSA-N 2 2 235.375 2.644 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566414914 326042190 /nfs/dbraw/zinc/04/21/90/326042190.db2.gz UDQJTLFTNTXJTD-CHWSQXEVSA-N 2 2 235.375 2.644 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000566414914 326042191 /nfs/dbraw/zinc/04/21/91/326042191.db2.gz UDQJTLFTNTXJTD-CHWSQXEVSA-N 2 2 235.375 2.644 20 0 BFADLP CC1(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000566773173 326081463 /nfs/dbraw/zinc/08/14/63/326081463.db2.gz XDFNUQBDVYXMBC-UHFFFAOYSA-N 2 2 241.338 2.762 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000567259657 326152419 /nfs/dbraw/zinc/15/24/19/326152419.db2.gz NEOOTLIWLIUOFF-GJZGRUSLSA-N 2 2 232.371 2.711 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C(C)(C)c2ccccc2)n1C ZINC000567368148 326176099 /nfs/dbraw/zinc/17/60/99/326176099.db2.gz NIYGWTUCJRKYIG-UHFFFAOYSA-N 2 2 243.354 2.753 20 0 BFADLP c1c2ccccc2oc1C[NH2+]CCC[NH+]1CCC1 ZINC000568236176 326331871 /nfs/dbraw/zinc/33/18/71/326331871.db2.gz CQLWHHOOWJSRBM-UHFFFAOYSA-N 2 2 244.338 2.618 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2CCCCCC2)n1C ZINC000568273240 326338756 /nfs/dbraw/zinc/33/87/56/326338756.db2.gz NQDZPNKNSVGHEA-UHFFFAOYSA-N 2 2 221.348 2.541 20 0 BFADLP CC[C@H](C)C[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000568275735 326339671 /nfs/dbraw/zinc/33/96/71/326339671.db2.gz WTTYOKFMERWSGR-GXTWGEPZSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccc([C@@H](C[NH2+]CC2(C)CC2)[NH+](C)C)cc1 ZINC000568581480 326365847 /nfs/dbraw/zinc/36/58/47/326365847.db2.gz JIQAYDWTWDBAGL-OAHLLOKOSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000235524127 487976777 /nfs/dbraw/zinc/97/67/77/487976777.db2.gz PWEDBSGSURAILG-ZFWWWQNUSA-N 2 2 232.371 2.788 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000682731798 488027500 /nfs/dbraw/zinc/02/75/00/488027500.db2.gz IKXDWTDEXLPFGD-CABCVRRESA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000682731798 488027502 /nfs/dbraw/zinc/02/75/02/488027502.db2.gz IKXDWTDEXLPFGD-CABCVRRESA-N 2 2 248.414 2.783 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)CC2CCCCC2)n1C ZINC000667495137 488027503 /nfs/dbraw/zinc/02/75/03/488027503.db2.gz YOKAIOGYJVVKFV-UHFFFAOYSA-N 2 2 235.375 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)CC2CCCCC2)n1C ZINC000667495137 488027508 /nfs/dbraw/zinc/02/75/08/488027508.db2.gz YOKAIOGYJVVKFV-UHFFFAOYSA-N 2 2 235.375 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCC[C@H](C)C2)n1C ZINC000667499806 488030071 /nfs/dbraw/zinc/03/00/71/488030071.db2.gz VQKIELACPCDVOR-WCQYABFASA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)n1C ZINC000667499806 488030075 /nfs/dbraw/zinc/03/00/75/488030075.db2.gz VQKIELACPCDVOR-WCQYABFASA-N 2 2 235.375 2.739 20 0 BFADLP CCC1(C)CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667569880 488050324 /nfs/dbraw/zinc/05/03/24/488050324.db2.gz VUGBBSQKXBHDLA-UHFFFAOYSA-N 2 2 247.386 2.841 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000389210018 488081896 /nfs/dbraw/zinc/08/18/96/488081896.db2.gz BNLWTSSMUGSMRV-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000389210018 488081902 /nfs/dbraw/zinc/08/19/02/488081902.db2.gz BNLWTSSMUGSMRV-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP c1[nH+]c2n(c1C[NH+]1C3CCCC1CCC3)CCC2 ZINC000667670875 488082347 /nfs/dbraw/zinc/08/23/47/488082347.db2.gz ABXOBVJPBIVGAS-UHFFFAOYSA-N 2 2 245.370 2.736 20 0 BFADLP CC(C)C1CC[NH+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667670532 488082374 /nfs/dbraw/zinc/08/23/74/488082374.db2.gz RUAGMAMKLGOCSA-UHFFFAOYSA-N 2 2 247.386 2.697 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](CC(C)C)C2)n1C ZINC000667675064 488083398 /nfs/dbraw/zinc/08/33/98/488083398.db2.gz YULDMKQVKKAQOT-AWEZNQCLSA-N 2 2 249.402 2.987 20 0 BFADLP CCC[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667673945 488083318 /nfs/dbraw/zinc/08/33/18/488083318.db2.gz SPTBAJYMZMOGTD-ZDUSSCGKSA-N 2 2 247.386 2.841 20 0 BFADLP Fc1ccccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000148274301 488093681 /nfs/dbraw/zinc/09/36/81/488093681.db2.gz VDBDRBIRWDQVSC-UHFFFAOYSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1ccccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000148274301 488093693 /nfs/dbraw/zinc/09/36/93/488093693.db2.gz VDBDRBIRWDQVSC-UHFFFAOYSA-N 2 2 248.345 2.542 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000683078741 488106602 /nfs/dbraw/zinc/10/66/02/488106602.db2.gz IDVCFEPLIRZVNZ-OAHLLOKOSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000683078741 488106605 /nfs/dbraw/zinc/10/66/05/488106605.db2.gz IDVCFEPLIRZVNZ-OAHLLOKOSA-N 2 2 248.414 2.783 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000086726703 487537651 /nfs/dbraw/zinc/53/76/51/487537651.db2.gz UAHWLGSYGOBKNM-CHWSQXEVSA-N 2 2 238.762 2.743 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528201 487538447 /nfs/dbraw/zinc/53/84/47/487538447.db2.gz PSGMXKDBGUULLW-OAHLLOKOSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528201 487538453 /nfs/dbraw/zinc/53/84/53/487538453.db2.gz PSGMXKDBGUULLW-OAHLLOKOSA-N 2 2 244.382 2.877 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[NH+](C)C ZINC000393966081 487493375 /nfs/dbraw/zinc/49/33/75/487493375.db2.gz ZHXHHVRMPBTUSS-QPSCCSFWSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@H]1F ZINC000682029441 487883712 /nfs/dbraw/zinc/88/37/12/487883712.db2.gz OEAKKYGZHIIYCM-ZIAGYGMSSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1F ZINC000682029441 487883715 /nfs/dbraw/zinc/88/37/15/487883715.db2.gz OEAKKYGZHIIYCM-ZIAGYGMSSA-N 2 2 242.382 2.542 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C ZINC000667965049 488169276 /nfs/dbraw/zinc/16/92/76/488169276.db2.gz ZPLHXIRCJDGSSJ-TUKIKUTGSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)n1C ZINC000667965049 488169280 /nfs/dbraw/zinc/16/92/80/488169280.db2.gz ZPLHXIRCJDGSSJ-TUKIKUTGSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C(C2CCC2)C2CCC2)n1C ZINC000519761015 488188743 /nfs/dbraw/zinc/18/87/43/488188743.db2.gz AMMOKGBVGGLTPG-UHFFFAOYSA-N 2 2 247.386 2.787 20 0 BFADLP CCCC[C@H]1CCC[C@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668154783 488210996 /nfs/dbraw/zinc/21/09/96/488210996.db2.gz VXXSARZYIXIDNY-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668172410 488213990 /nfs/dbraw/zinc/21/39/90/488213990.db2.gz NDNUCJWWFQTKFY-NEPJUHHUSA-N 2 2 233.359 2.592 20 0 BFADLP CC[C@H]1CC[C@@H](C)[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668172410 488213992 /nfs/dbraw/zinc/21/39/92/488213992.db2.gz NDNUCJWWFQTKFY-NEPJUHHUSA-N 2 2 233.359 2.592 20 0 BFADLP CC[C@H]1CC[C@H](C)[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668172412 488214168 /nfs/dbraw/zinc/21/41/68/488214168.db2.gz NDNUCJWWFQTKFY-RYUDHWBXSA-N 2 2 233.359 2.592 20 0 BFADLP CC[C@H]1CC[C@H](C)[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668172412 488214170 /nfs/dbraw/zinc/21/41/70/488214170.db2.gz NDNUCJWWFQTKFY-RYUDHWBXSA-N 2 2 233.359 2.592 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)c[nH+]1 ZINC000678235070 488223395 /nfs/dbraw/zinc/22/33/95/488223395.db2.gz CKABEJJAGGNKRD-CYBMUJFWSA-N 2 2 247.367 2.782 20 0 BFADLP c1cn([C@@H]2CCC[N@H+](Cc3ccsc3)C2)c[nH+]1 ZINC000678235070 488223398 /nfs/dbraw/zinc/22/33/98/488223398.db2.gz CKABEJJAGGNKRD-CYBMUJFWSA-N 2 2 247.367 2.782 20 0 BFADLP CCC[NH+]1CCC(Nc2[nH+]cccc2CC)CC1 ZINC000679148760 488313905 /nfs/dbraw/zinc/31/39/05/488313905.db2.gz AZABPYKCYDSECI-UHFFFAOYSA-N 2 2 247.386 2.930 20 0 BFADLP CCc1ccc[nH+]c1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679151985 488313918 /nfs/dbraw/zinc/31/39/18/488313918.db2.gz WYRVVUPLQTXSED-AAEUAGOBSA-N 2 2 233.359 2.539 20 0 BFADLP C[C@H]1CCCCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000651666486 490129513 /nfs/dbraw/zinc/12/95/13/490129513.db2.gz DNZJUHJWOXCVCM-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000651666487 490129898 /nfs/dbraw/zinc/12/98/98/490129898.db2.gz DNZJUHJWOXCVCM-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP [NH3+][C@@H]1CCC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000146290240 490132790 /nfs/dbraw/zinc/13/27/90/490132790.db2.gz SMSJXLXYAQQDPL-OLZOCXBDSA-N 2 2 241.338 2.917 20 0 BFADLP [NH3+][C@H]1CCC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000146290435 490133057 /nfs/dbraw/zinc/13/30/57/490133057.db2.gz SMSJXLXYAQQDPL-STQMWFEESA-N 2 2 241.338 2.917 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000068986934 490138052 /nfs/dbraw/zinc/13/80/52/490138052.db2.gz NQPZJCWGIZSCSJ-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000068986934 490138058 /nfs/dbraw/zinc/13/80/58/490138058.db2.gz NQPZJCWGIZSCSJ-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000068986936 490138015 /nfs/dbraw/zinc/13/80/15/490138015.db2.gz NQPZJCWGIZSCSJ-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000068986936 490138021 /nfs/dbraw/zinc/13/80/21/490138021.db2.gz NQPZJCWGIZSCSJ-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657561100 490285639 /nfs/dbraw/zinc/28/56/39/490285639.db2.gz DRMNNXRSKFVWAG-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657561100 490285642 /nfs/dbraw/zinc/28/56/42/490285642.db2.gz DRMNNXRSKFVWAG-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000130409783 490386575 /nfs/dbraw/zinc/38/65/75/490386575.db2.gz UUBLXZAOOGYURH-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000130409783 490386580 /nfs/dbraw/zinc/38/65/80/490386580.db2.gz UUBLXZAOOGYURH-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000081637066 491135707 /nfs/dbraw/zinc/13/57/07/491135707.db2.gz BDTPEQGAVKNUND-ZNMIVQPWSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C3CC3)C2)C1 ZINC000081637066 491135708 /nfs/dbraw/zinc/13/57/08/491135708.db2.gz BDTPEQGAVKNUND-ZNMIVQPWSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCCCCF)C1 ZINC000309382556 491147671 /nfs/dbraw/zinc/14/76/71/491147671.db2.gz SEPIHQUCDATWFS-CYBMUJFWSA-N 2 2 230.371 2.589 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCCCCF)C1 ZINC000309382556 491147672 /nfs/dbraw/zinc/14/76/72/491147672.db2.gz SEPIHQUCDATWFS-CYBMUJFWSA-N 2 2 230.371 2.589 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000309592639 491152742 /nfs/dbraw/zinc/15/27/42/491152742.db2.gz VGAKOIWOHYYEQZ-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000309592639 491152743 /nfs/dbraw/zinc/15/27/43/491152743.db2.gz VGAKOIWOHYYEQZ-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000309592646 491152781 /nfs/dbraw/zinc/15/27/81/491152781.db2.gz VGAKOIWOHYYEQZ-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000309592646 491152782 /nfs/dbraw/zinc/15/27/82/491152782.db2.gz VGAKOIWOHYYEQZ-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000488419742 534029178 /nfs/dbraw/zinc/02/91/78/534029178.db2.gz PJNXWIAWDIGLIL-NEPJUHHUSA-N 2 2 243.354 2.741 20 0 BFADLP C[N@H+](CC[NH3+])Cc1ccccc1-c1ccccc1 ZINC000262991404 536368795 /nfs/dbraw/zinc/36/87/95/536368795.db2.gz NRXGOAGCCQEDLE-UHFFFAOYSA-N 2 2 240.350 2.744 20 0 BFADLP C[N@@H+](CC[NH3+])Cc1ccccc1-c1ccccc1 ZINC000262991404 536368798 /nfs/dbraw/zinc/36/87/98/536368798.db2.gz NRXGOAGCCQEDLE-UHFFFAOYSA-N 2 2 240.350 2.744 20 0 BFADLP C[N@H+](Cc1ccc(Cl)cc1)C1(C[NH3+])CCC1 ZINC000086475019 536468583 /nfs/dbraw/zinc/46/85/83/536468583.db2.gz YPPCQDHOEYAZIP-UHFFFAOYSA-N 2 2 238.762 2.653 20 0 BFADLP C[N@@H+](Cc1ccc(Cl)cc1)C1(C[NH3+])CCC1 ZINC000086475019 536468584 /nfs/dbraw/zinc/46/85/84/536468584.db2.gz YPPCQDHOEYAZIP-UHFFFAOYSA-N 2 2 238.762 2.653 20 0 BFADLP CCC[N@H+](C[C@@H](C)CC(C)C)[C@H]1CC[NH2+]C1 ZINC000300986009 528117246 /nfs/dbraw/zinc/11/72/46/528117246.db2.gz UXBKLNIXKQPHHA-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+](C[C@@H](C)CC(C)C)[C@H]1CC[NH2+]C1 ZINC000300986009 528117250 /nfs/dbraw/zinc/11/72/50/528117250.db2.gz UXBKLNIXKQPHHA-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@@H](C[N@@H+]1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000469833078 528940246 /nfs/dbraw/zinc/94/02/46/528940246.db2.gz ZVHMQTIOUJGEFQ-JKSUJKDBSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@@H](C[N@H+]1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000469833078 528940249 /nfs/dbraw/zinc/94/02/49/528940249.db2.gz ZVHMQTIOUJGEFQ-JKSUJKDBSA-N 2 2 246.398 2.864 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000335645709 534985820 /nfs/dbraw/zinc/98/58/20/534985820.db2.gz ISOSGVQVNWVJPK-SNVBAGLBSA-N 2 2 244.791 2.632 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342400880 535243012 /nfs/dbraw/zinc/24/30/12/535243012.db2.gz LBRRMOYTHGUTSO-LZWOXQAQSA-N 2 2 248.414 2.805 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000342400880 535243013 /nfs/dbraw/zinc/24/30/13/535243013.db2.gz LBRRMOYTHGUTSO-LZWOXQAQSA-N 2 2 248.414 2.805 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000249843121 535540108 /nfs/dbraw/zinc/54/01/08/535540108.db2.gz UHHYTOGAMWJWPP-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000249845988 535543032 /nfs/dbraw/zinc/54/30/32/535543032.db2.gz VTQAUVVEINMTFV-WDNDVIMCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182174595 535603318 /nfs/dbraw/zinc/60/33/18/535603318.db2.gz NCYKLLZGOKFSSJ-KGLIPLIRSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182174595 535603321 /nfs/dbraw/zinc/60/33/21/535603321.db2.gz NCYKLLZGOKFSSJ-KGLIPLIRSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261540993 536060336 /nfs/dbraw/zinc/06/03/36/536060336.db2.gz ICXFGQCZNGVISC-ZLKJLUDKSA-N 2 2 236.334 2.556 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261540993 536060342 /nfs/dbraw/zinc/06/03/42/536060342.db2.gz ICXFGQCZNGVISC-ZLKJLUDKSA-N 2 2 236.334 2.556 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CC12CCC(CC1)C2 ZINC000347802403 536362650 /nfs/dbraw/zinc/36/26/50/536362650.db2.gz PIAGSLLWVCFQDL-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CC12CCC(CC1)C2 ZINC000347802403 536362653 /nfs/dbraw/zinc/36/26/53/536362653.db2.gz PIAGSLLWVCFQDL-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP C[N@H+](Cc1sccc1Cl)CC(C)(C)C[NH3+] ZINC000261537440 536487500 /nfs/dbraw/zinc/48/75/00/536487500.db2.gz VOQNCWYZKSFVIR-UHFFFAOYSA-N 2 2 246.807 2.818 20 0 BFADLP C[N@@H+](Cc1sccc1Cl)CC(C)(C)C[NH3+] ZINC000261537440 536487501 /nfs/dbraw/zinc/48/75/01/536487501.db2.gz VOQNCWYZKSFVIR-UHFFFAOYSA-N 2 2 246.807 2.818 20 0 BFADLP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000348257814 566266588 /nfs/dbraw/zinc/26/65/88/566266588.db2.gz SLYHPJBTKHINHP-HRCADAONSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000348257814 566266597 /nfs/dbraw/zinc/26/65/97/566266597.db2.gz SLYHPJBTKHINHP-HRCADAONSA-N 2 2 248.414 2.782 20 0 BFADLP C[N@H+](CCC1CCCCCC1)CC1C[NH+](C)C1 ZINC000668539301 582740082 /nfs/dbraw/zinc/74/00/82/582740082.db2.gz RWVMDLZRIUFYDZ-UHFFFAOYSA-N 2 2 238.419 2.840 20 0 BFADLP C[N@@H+](CCC1CCCCCC1)CC1C[NH+](C)C1 ZINC000668539301 582740084 /nfs/dbraw/zinc/74/00/84/582740084.db2.gz RWVMDLZRIUFYDZ-UHFFFAOYSA-N 2 2 238.419 2.840 20 0 BFADLP Cc1cccc(NCc2[nH+]ccn2C2CC2)[nH+]1 ZINC000892636663 582935136 /nfs/dbraw/zinc/93/51/36/582935136.db2.gz HSMZTBQQQAUFHV-UHFFFAOYSA-N 2 2 228.299 2.534 20 0 BFADLP CCc1ccc[nH+]c1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000893381415 583132811 /nfs/dbraw/zinc/13/28/11/583132811.db2.gz DGYGRBUOOOTDFD-AGUYFDCRSA-N 2 2 245.370 2.681 20 0 BFADLP CCc1ccc[nH+]c1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000893381415 583132812 /nfs/dbraw/zinc/13/28/12/583132812.db2.gz DGYGRBUOOOTDFD-AGUYFDCRSA-N 2 2 245.370 2.681 20 0 BFADLP c1[nH]c(C[NH2+]CCCCc2ccccc2)c[nH+]1 ZINC000894159388 583320323 /nfs/dbraw/zinc/32/03/23/583320323.db2.gz AQFKCLIWAXWADJ-UHFFFAOYSA-N 2 2 229.327 2.522 20 0 BFADLP CCCC[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000726695576 583368923 /nfs/dbraw/zinc/36/89/23/583368923.db2.gz HPCJNQWTKXAGSY-HNNXBMFYSA-N 2 2 234.387 2.549 20 0 BFADLP Cc1coc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000894859977 583533597 /nfs/dbraw/zinc/53/35/97/583533597.db2.gz QRVNJJLUESMRDK-OAHLLOKOSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1coc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000894859977 583533598 /nfs/dbraw/zinc/53/35/98/583533598.db2.gz QRVNJJLUESMRDK-OAHLLOKOSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1coc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000894859977 583533599 /nfs/dbraw/zinc/53/35/99/583533599.db2.gz QRVNJJLUESMRDK-OAHLLOKOSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1coc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000894859977 583533600 /nfs/dbraw/zinc/53/36/00/583533600.db2.gz QRVNJJLUESMRDK-OAHLLOKOSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1cc(F)ccc1C[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895231745 583628784 /nfs/dbraw/zinc/62/87/84/583628784.db2.gz ULSJNVVIXHVJMG-LLVKDONJSA-N 2 2 247.317 2.578 20 0 BFADLP CC[C@H](Cc1ccc(F)cc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895227190 583629039 /nfs/dbraw/zinc/62/90/39/583629039.db2.gz WIYBTKSQBCSPNY-CYBMUJFWSA-N 2 2 247.317 2.660 20 0 BFADLP Cc1cccc2c1CCC[C@@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000895340195 583654781 /nfs/dbraw/zinc/65/47/81/583654781.db2.gz LIFIRLDBGPKCGQ-HNNXBMFYSA-N 2 2 241.338 2.885 20 0 BFADLP CC[C@@H](CCc1ccccc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895391193 583664344 /nfs/dbraw/zinc/66/43/44/583664344.db2.gz USOVPMIFTYBVCB-AWEZNQCLSA-N 2 2 243.354 2.911 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@H]2C=CCC2)c[nH+]1 ZINC000895527208 583684625 /nfs/dbraw/zinc/68/46/25/583684625.db2.gz JLVKTCSJNMMYOY-AWEZNQCLSA-N 2 2 230.355 2.878 20 0 BFADLP Cc1coc(C[NH+]2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000895672355 583707007 /nfs/dbraw/zinc/70/70/07/583707007.db2.gz SHFGRZVUGHNWNT-UHFFFAOYSA-N 2 2 248.370 2.648 20 0 BFADLP CC(C)C1(C[NH2+]Cc2cc(N(C)C)cc[nH+]2)CC1 ZINC000896298360 583789317 /nfs/dbraw/zinc/78/93/17/583789317.db2.gz JDRUEXXRECRAAZ-UHFFFAOYSA-N 2 2 247.386 2.673 20 0 BFADLP CCSc1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000863652583 583994878 /nfs/dbraw/zinc/99/48/78/583994878.db2.gz UVDQDJJXDODIDT-NSHDSACASA-N 2 2 238.400 2.578 20 0 BFADLP CCSc1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000863652583 583994879 /nfs/dbraw/zinc/99/48/79/583994879.db2.gz UVDQDJJXDODIDT-NSHDSACASA-N 2 2 238.400 2.578 20 0 BFADLP Cc1cc(N[C@H]2CC[NH2+]CC(C)(C)C2)c[nH+]c1C ZINC000902402452 584587484 /nfs/dbraw/zinc/58/74/84/584587484.db2.gz LFKBVTIGYCMOBS-ZDUSSCGKSA-N 2 2 247.386 2.889 20 0 BFADLP CCn1c[nH+]c(CNc2cc(C)cc(C)[nH+]2)c1 ZINC000902404586 584588551 /nfs/dbraw/zinc/58/85/51/584588551.db2.gz WPVQZGVZNRTHJH-UHFFFAOYSA-N 2 2 230.315 2.527 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)s1 ZINC000902416137 584590412 /nfs/dbraw/zinc/59/04/12/584590412.db2.gz SPUVJWNVKXWIAJ-SSDOTTSWSA-N 2 2 230.764 2.543 20 0 BFADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@@H]1C[C@H]1C ZINC000902429886 584594702 /nfs/dbraw/zinc/59/47/02/584594702.db2.gz BATIUXBNTCQBBC-LMXXTMHSSA-N 2 2 244.382 2.635 20 0 BFADLP CC[C@H]1CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438885 584597403 /nfs/dbraw/zinc/59/74/03/584597403.db2.gz OAVWKESJVCLLMS-DANNLKNASA-N 2 2 244.382 2.779 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)cs1 ZINC000902443231 584598315 /nfs/dbraw/zinc/59/83/15/584598315.db2.gz KSNUQHWDTVZVMA-PWSUYJOCSA-N 2 2 238.400 2.705 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902444421 584599092 /nfs/dbraw/zinc/59/90/92/584599092.db2.gz NKFGYOMOQPQQMR-WXYCVUISSA-N 2 2 244.382 2.779 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1C ZINC000902477814 584603240 /nfs/dbraw/zinc/60/32/40/584603240.db2.gz SJZGXUKVLKDFKP-DRPJVOAASA-N 2 2 244.382 2.847 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1C ZINC000902476889 584603387 /nfs/dbraw/zinc/60/33/87/584603387.db2.gz RJJAVRMJFRMFEI-LQKXBSAESA-N 2 2 244.382 2.847 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1F ZINC000902479082 584603607 /nfs/dbraw/zinc/60/36/07/584603607.db2.gz ZYWWMHVBKKLGFY-SDJAHQOYSA-N 2 2 248.345 2.759 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448054 584605084 /nfs/dbraw/zinc/60/50/84/584605084.db2.gz XLDLYJOVGKKJTH-GXTWGEPZSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902449208 584605629 /nfs/dbraw/zinc/60/56/29/584605629.db2.gz MPOOGKBBINOVMC-HUUCEWRRSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902464763 584612954 /nfs/dbraw/zinc/61/29/54/584612954.db2.gz CPZRHWPOOVEOGV-FAAHXZRKSA-N 2 2 230.355 2.539 20 0 BFADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465261 584613418 /nfs/dbraw/zinc/61/34/18/584613418.db2.gz DYKUJPJCOXHGIJ-OJLVUWQFSA-N 2 2 242.366 2.547 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(F)c1 ZINC000902465172 584613493 /nfs/dbraw/zinc/61/34/93/584613493.db2.gz FQYNWUJNJKJMRE-GBJTYRQASA-N 2 2 248.345 2.759 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c(C)c1 ZINC000902469324 584615674 /nfs/dbraw/zinc/61/56/74/584615674.db2.gz WWUWVZXJLCZMNJ-OCVGTWLNSA-N 2 2 244.382 2.847 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902468394 584615736 /nfs/dbraw/zinc/61/57/36/584615736.db2.gz SRFPXZIEZQLLAP-OCVGTWLNSA-N 2 2 244.382 2.847 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000902491304 584618498 /nfs/dbraw/zinc/61/84/98/584618498.db2.gz XGJTVCULGNSJJD-ZFWWWQNUSA-N 2 2 232.371 2.869 20 0 BFADLP CCn1c[nH+]c(CNc2ccc(C3CC3)c[nH+]2)c1 ZINC000902681566 584655383 /nfs/dbraw/zinc/65/53/83/584655383.db2.gz XFKCJLSHNCVCOZ-UHFFFAOYSA-N 2 2 242.326 2.788 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C1CC1 ZINC000902786177 584668722 /nfs/dbraw/zinc/66/87/22/584668722.db2.gz LEZKOXFFLGXPIS-BTTYYORXSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)C1CC1 ZINC000902786177 584668724 /nfs/dbraw/zinc/66/87/24/584668724.db2.gz LEZKOXFFLGXPIS-BTTYYORXSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902836749 584679314 /nfs/dbraw/zinc/67/93/14/584679314.db2.gz MJXRAAVHKJSRKL-DVZHBHJUSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902836749 584679315 /nfs/dbraw/zinc/67/93/15/584679315.db2.gz MJXRAAVHKJSRKL-DVZHBHJUSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C1CCCC1 ZINC000903201979 584735279 /nfs/dbraw/zinc/73/52/79/584735279.db2.gz SRXLPCNCLVDMDD-GFCCVEGCSA-N 2 2 247.386 2.816 20 0 BFADLP C[C@H]1C[C@H](Nc2cccc(C3CC3)[nH+]2)CC[N@@H+]1C ZINC000903267535 584741530 /nfs/dbraw/zinc/74/15/30/584741530.db2.gz CPQHOQFVFFHNAF-WCQYABFASA-N 2 2 245.370 2.854 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)CC[N@@H+]1C ZINC000903299682 584743523 /nfs/dbraw/zinc/74/35/23/584743523.db2.gz CUFYMSFHMQGGQZ-AAVRWANBSA-N 2 2 242.382 2.587 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)CC[N@H+]1C ZINC000903299682 584743524 /nfs/dbraw/zinc/74/35/24/584743524.db2.gz CUFYMSFHMQGGQZ-AAVRWANBSA-N 2 2 242.382 2.587 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000903300486 584743733 /nfs/dbraw/zinc/74/37/33/584743733.db2.gz ISDFWVPOLGUWKC-UGFHNGPFSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@H](C2CC2)C2CCCC2)CC[N@H+]1C ZINC000903300486 584743734 /nfs/dbraw/zinc/74/37/34/584743734.db2.gz ISDFWVPOLGUWKC-UGFHNGPFSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903301321 584745136 /nfs/dbraw/zinc/74/51/36/584745136.db2.gz OTGVCJYTAMSRSO-KCXAZCMYSA-N 2 2 244.382 2.665 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301321 584745137 /nfs/dbraw/zinc/74/51/37/584745137.db2.gz OTGVCJYTAMSRSO-KCXAZCMYSA-N 2 2 244.382 2.665 20 0 BFADLP CCCCC1([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000903311884 584748128 /nfs/dbraw/zinc/74/81/28/584748128.db2.gz SAMYXJHNROGHHS-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP CCCCC1([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000903311884 584748129 /nfs/dbraw/zinc/74/81/29/584748129.db2.gz SAMYXJHNROGHHS-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000903413457 584760016 /nfs/dbraw/zinc/76/00/16/584760016.db2.gz MPJNNMIVIJLCMQ-KLHDSHLOSA-N 2 2 248.414 2.948 20 0 BFADLP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000903413457 584760017 /nfs/dbraw/zinc/76/00/17/584760017.db2.gz MPJNNMIVIJLCMQ-KLHDSHLOSA-N 2 2 248.414 2.948 20 0 BFADLP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903461040 584766701 /nfs/dbraw/zinc/76/67/01/584766701.db2.gz NQHKLLZRPZXPGS-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H](C)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903461040 584766703 /nfs/dbraw/zinc/76/67/03/584766703.db2.gz NQHKLLZRPZXPGS-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(C2CCCCC2)CC1 ZINC000903447632 584770556 /nfs/dbraw/zinc/77/05/56/584770556.db2.gz AHSAXVQXXYYAAR-JSGCOSHPSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(C2CCCCC2)CC1 ZINC000903447632 584770558 /nfs/dbraw/zinc/77/05/58/584770558.db2.gz AHSAXVQXXYYAAR-JSGCOSHPSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CCC(C)(C)[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903464606 584771662 /nfs/dbraw/zinc/77/16/62/584771662.db2.gz TYSGICFPBFPCAR-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)CCC(C)(C)[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903464606 584771664 /nfs/dbraw/zinc/77/16/64/584771664.db2.gz TYSGICFPBFPCAR-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1cccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000903471952 584776223 /nfs/dbraw/zinc/77/62/23/584776223.db2.gz NSRNTYUHPPRCKX-OAHLLOKOSA-N 2 2 244.382 2.623 20 0 BFADLP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000903774893 584799389 /nfs/dbraw/zinc/79/93/89/584799389.db2.gz BERSULXAKALSJJ-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccccc1C[N@H+](C)C[C@H](C)[NH3+] ZINC000903774893 584799391 /nfs/dbraw/zinc/79/93/91/584799391.db2.gz BERSULXAKALSJJ-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000903778491 584799933 /nfs/dbraw/zinc/79/99/33/584799933.db2.gz NNUVUEXQNLNVFO-TZMCWYRMSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@H]1C ZINC000903778491 584799934 /nfs/dbraw/zinc/79/99/34/584799934.db2.gz NNUVUEXQNLNVFO-TZMCWYRMSA-N 2 2 232.371 2.732 20 0 BFADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903805619 584802744 /nfs/dbraw/zinc/80/27/44/584802744.db2.gz PMXRAKNCUFJQDU-LVQVYYBASA-N 2 2 248.414 2.626 20 0 BFADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903805619 584802745 /nfs/dbraw/zinc/80/27/45/584802745.db2.gz PMXRAKNCUFJQDU-LVQVYYBASA-N 2 2 248.414 2.626 20 0 BFADLP CC(C)CC1CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000903898900 584820762 /nfs/dbraw/zinc/82/07/62/584820762.db2.gz PDTNNUKDBVFRBZ-GFCCVEGCSA-N 2 2 248.361 2.727 20 0 BFADLP Cc1cc(NCC2C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]c1C ZINC000903947813 584829478 /nfs/dbraw/zinc/82/94/78/584829478.db2.gz ILJJSEHJVUHWBK-AGUYFDCRSA-N 2 2 245.370 2.641 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)[C@H]1C ZINC000903951308 584830662 /nfs/dbraw/zinc/83/06/62/584830662.db2.gz VPMDWHUBQCXHCI-UHIISALHSA-N 2 2 233.359 2.578 20 0 BFADLP Nc1cc[nH+]c(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000903950988 584830717 /nfs/dbraw/zinc/83/07/17/584830717.db2.gz VAXNZPXHMVOJEM-OCCSQVGLSA-N 2 2 245.370 2.722 20 0 BFADLP Nc1cc[nH+]c(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)c1 ZINC000903950989 584830737 /nfs/dbraw/zinc/83/07/37/584830737.db2.gz VAXNZPXHMVOJEM-TZMCWYRMSA-N 2 2 245.370 2.722 20 0 BFADLP Cc1cc(N(C)C)cc(C)c1[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904331191 584865983 /nfs/dbraw/zinc/86/59/83/584865983.db2.gz FFTJXXGBCPKNSV-BETUJISGSA-N 2 2 247.386 2.519 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccccn1 ZINC000904368823 584872827 /nfs/dbraw/zinc/87/28/27/584872827.db2.gz VWZPWVQOFOUYIY-OLZOCXBDSA-N 2 2 249.402 2.886 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766214217 584939986 /nfs/dbraw/zinc/93/99/86/584939986.db2.gz LNKKTWHHFUGLRG-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766214217 584939987 /nfs/dbraw/zinc/93/99/87/584939987.db2.gz LNKKTWHHFUGLRG-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc([NH2+]C(C)C)ccc1OCC[NH+](C)C ZINC000839183569 585096593 /nfs/dbraw/zinc/09/65/93/585096593.db2.gz BHCLUPBMPDHANC-UHFFFAOYSA-N 2 2 236.359 2.756 20 0 BFADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000756102394 585314424 /nfs/dbraw/zinc/31/44/24/585314424.db2.gz QFXRGOWJVOMTLS-MRXNPFEDSA-N 2 2 246.398 2.646 20 0 BFADLP CC(C)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000756102394 585314425 /nfs/dbraw/zinc/31/44/25/585314425.db2.gz QFXRGOWJVOMTLS-MRXNPFEDSA-N 2 2 246.398 2.646 20 0 BFADLP Cc1[nH+]ccn1CC[NH+]1CCC(CC(C)C)CC1 ZINC000766246744 585499422 /nfs/dbraw/zinc/49/94/22/585499422.db2.gz DVLSGCUGEJFVEF-UHFFFAOYSA-N 2 2 249.402 2.950 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2ccccc21 ZINC000766272928 585500203 /nfs/dbraw/zinc/50/02/03/585500203.db2.gz MBKGOWBSAGGVSP-BBRMVZONSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2ccccc21 ZINC000766272928 585500204 /nfs/dbraw/zinc/50/02/04/585500204.db2.gz MBKGOWBSAGGVSP-BBRMVZONSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000767349415 585516903 /nfs/dbraw/zinc/51/69/03/585516903.db2.gz SOJDOAIGEHNJOV-NSHDSACASA-N 2 2 247.342 2.519 20 0 BFADLP CC/C=C\CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770003348 585569068 /nfs/dbraw/zinc/56/90/68/585569068.db2.gz RAZWZSZBDAJZIZ-WSNITJDQSA-N 2 2 247.386 2.956 20 0 BFADLP CC/C=C\CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000770003348 585569069 /nfs/dbraw/zinc/56/90/69/585569069.db2.gz RAZWZSZBDAJZIZ-WSNITJDQSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2ccoc2)C[C@H]1n1cc[nH+]c1 ZINC000770325341 585572894 /nfs/dbraw/zinc/57/28/94/585572894.db2.gz NRRIXPJBADIDCQ-TZMCWYRMSA-N 2 2 245.326 2.559 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2ccoc2)C[C@H]1n1cc[nH+]c1 ZINC000770325341 585572895 /nfs/dbraw/zinc/57/28/95/585572895.db2.gz NRRIXPJBADIDCQ-TZMCWYRMSA-N 2 2 245.326 2.559 20 0 BFADLP C[C@H]1CC[C@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000783227066 585831441 /nfs/dbraw/zinc/83/14/41/585831441.db2.gz SMMBCCFLOKOLCL-NWDGAFQWSA-N 2 2 243.354 2.884 20 0 BFADLP C[C@H](CC[NH2+]Cc1ccoc1)[NH+]1CCCCC1 ZINC000784671671 585865514 /nfs/dbraw/zinc/86/55/14/585865514.db2.gz SAZOXMNXIGRBFK-CYBMUJFWSA-N 2 2 236.359 2.634 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000800973173 586238672 /nfs/dbraw/zinc/23/86/72/586238672.db2.gz VDKQQCSMXHCRII-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000800973173 586238673 /nfs/dbraw/zinc/23/86/73/586238673.db2.gz VDKQQCSMXHCRII-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000800973174 586238706 /nfs/dbraw/zinc/23/87/06/586238706.db2.gz VDKQQCSMXHCRII-VHDGCEQUSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000800973174 586238707 /nfs/dbraw/zinc/23/87/07/586238707.db2.gz VDKQQCSMXHCRII-VHDGCEQUSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(C)o1 ZINC000809752898 586517678 /nfs/dbraw/zinc/51/76/78/586517678.db2.gz KCWCOMPVLGHIOA-UHFFFAOYSA-N 2 2 247.342 2.615 20 0 BFADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(C)o1 ZINC000809752898 586517681 /nfs/dbraw/zinc/51/76/81/586517681.db2.gz KCWCOMPVLGHIOA-UHFFFAOYSA-N 2 2 247.342 2.615 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CCCCCCC1)C2 ZINC000810171723 586536177 /nfs/dbraw/zinc/53/61/77/586536177.db2.gz RDCCCNVPWGZKER-ZDUSSCGKSA-N 2 2 247.386 2.970 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C1CCCCCCC1)CC2 ZINC000810171723 586536179 /nfs/dbraw/zinc/53/61/79/586536179.db2.gz RDCCCNVPWGZKER-ZDUSSCGKSA-N 2 2 247.386 2.970 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+]CC[NH+]1CCCC1 ZINC000815149402 586670537 /nfs/dbraw/zinc/67/05/37/586670537.db2.gz MFMTYOVDVYRXLH-UHFFFAOYSA-N 2 2 246.398 2.916 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000817909111 586836984 /nfs/dbraw/zinc/83/69/84/586836984.db2.gz XXQBFHDUYXVEAV-GOEBONIOSA-N 2 2 246.398 2.924 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000817945785 586846337 /nfs/dbraw/zinc/84/63/37/586846337.db2.gz LWYFSTUXWBYNPG-GDBMZVCRSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817968691 586856863 /nfs/dbraw/zinc/85/68/63/586856863.db2.gz VWSMHSVTRMQSSO-RCBQFDQVSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000823836935 587241927 /nfs/dbraw/zinc/24/19/27/587241927.db2.gz MVHAZOFHKOFFJM-TZMCWYRMSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000823836935 587241928 /nfs/dbraw/zinc/24/19/28/587241928.db2.gz MVHAZOFHKOFFJM-TZMCWYRMSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC12CCC2 ZINC000824097620 587255212 /nfs/dbraw/zinc/25/52/12/587255212.db2.gz AMBRFBKVTFQVCV-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC12CCC2 ZINC000824097620 587255213 /nfs/dbraw/zinc/25/52/13/587255213.db2.gz AMBRFBKVTFQVCV-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP c1[nH+]c2n(c1C[NH+]1CCCCCCC1)CCC2 ZINC000824490089 587271755 /nfs/dbraw/zinc/27/17/55/587271755.db2.gz DDTXVMXJPIBJCY-UHFFFAOYSA-N 2 2 233.359 2.595 20 0 BFADLP CC(C)CCC[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841054830 587940663 /nfs/dbraw/zinc/94/06/63/587940663.db2.gz NZXWZQMLNJWBBB-UHFFFAOYSA-N 2 2 236.359 2.872 20 0 BFADLP CCC[C@@H](C)C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841055112 587940819 /nfs/dbraw/zinc/94/08/19/587940819.db2.gz QKPKJIWVBDQFDA-GFCCVEGCSA-N 2 2 236.359 2.872 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CCC2(CCCC2)CC1 ZINC000844298336 588182530 /nfs/dbraw/zinc/18/25/30/588182530.db2.gz JUVGAFLOUCFNMF-CQSZACIVSA-N 2 2 236.403 2.737 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH+]1CCC2(CCCC2)CC1 ZINC000844298336 588182532 /nfs/dbraw/zinc/18/25/32/588182532.db2.gz JUVGAFLOUCFNMF-CQSZACIVSA-N 2 2 236.403 2.737 20 0 BFADLP CC(C)=CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848575004 588399136 /nfs/dbraw/zinc/39/91/36/588399136.db2.gz KPZJURRTUTUYMU-KGLIPLIRSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)=CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848575004 588399137 /nfs/dbraw/zinc/39/91/37/588399137.db2.gz KPZJURRTUTUYMU-KGLIPLIRSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000850483553 588551566 /nfs/dbraw/zinc/55/15/66/588551566.db2.gz ZXYBRFIAIKCWAQ-MGPQQGTHSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000850483553 588551568 /nfs/dbraw/zinc/55/15/68/588551568.db2.gz ZXYBRFIAIKCWAQ-MGPQQGTHSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cs2)C[NH2+]1 ZINC000863650094 589307159 /nfs/dbraw/zinc/30/71/59/589307159.db2.gz NWIJNLBFUJYDNS-PSASIEDQSA-N 2 2 244.791 2.632 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCC1CC1 ZINC000866540552 589499807 /nfs/dbraw/zinc/49/98/07/589499807.db2.gz QLDLHPHIUSMGDY-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCC1CC1 ZINC000866540552 589499808 /nfs/dbraw/zinc/49/98/08/589499808.db2.gz QLDLHPHIUSMGDY-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866721700 589515150 /nfs/dbraw/zinc/51/51/50/589515150.db2.gz OZMLSNWCUTUZIK-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866721700 589515151 /nfs/dbraw/zinc/51/51/51/589515151.db2.gz OZMLSNWCUTUZIK-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1C ZINC000866723004 589515178 /nfs/dbraw/zinc/51/51/78/589515178.db2.gz DUYCJRPXJHABGF-JKSUJKDBSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1C ZINC000866723004 589515179 /nfs/dbraw/zinc/51/51/79/589515179.db2.gz DUYCJRPXJHABGF-JKSUJKDBSA-N 2 2 244.382 2.630 20 0 BFADLP C1=C[C@@H](CCC[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000873154279 589987707 /nfs/dbraw/zinc/98/77/07/589987707.db2.gz UMKANWCHNBWUBP-CYBMUJFWSA-N 2 2 245.370 2.665 20 0 BFADLP CCc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873228155 590000369 /nfs/dbraw/zinc/00/03/69/590000369.db2.gz AJTGKNBCZQUTPF-HOTGVXAUSA-N 2 2 244.382 2.623 20 0 BFADLP CCc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000873228154 590000445 /nfs/dbraw/zinc/00/04/45/590000445.db2.gz AJTGKNBCZQUTPF-CVEARBPZSA-N 2 2 244.382 2.623 20 0 BFADLP CCc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000873228157 590000773 /nfs/dbraw/zinc/00/07/73/590000773.db2.gz AJTGKNBCZQUTPF-JKSUJKDBSA-N 2 2 244.382 2.623 20 0 BFADLP C(=C/c1ccccc1)\C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230615 590001634 /nfs/dbraw/zinc/00/16/34/590001634.db2.gz VAYHKSLVXWODKV-RTWZZBQXSA-N 2 2 242.366 2.574 20 0 BFADLP Cc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1C ZINC000873229436 590002158 /nfs/dbraw/zinc/00/21/58/590002158.db2.gz YTURFVIFZFWVBD-CVEARBPZSA-N 2 2 244.382 2.678 20 0 BFADLP C(=C/c1ccccc1)\C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230616 590002232 /nfs/dbraw/zinc/00/22/32/590002232.db2.gz VAYHKSLVXWODKV-TWZSPHTKSA-N 2 2 242.366 2.574 20 0 BFADLP Cc1cc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)ccc1F ZINC000873230836 590003118 /nfs/dbraw/zinc/00/31/18/590003118.db2.gz YOFHGRFMLGAQQZ-GJZGRUSLSA-N 2 2 248.345 2.508 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccoc1 ZINC000873236061 590004685 /nfs/dbraw/zinc/00/46/85/590004685.db2.gz WXDFPLCXALIGBN-AAEUAGOBSA-N 2 2 236.359 2.708 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccncc1 ZINC000873238269 590005179 /nfs/dbraw/zinc/00/51/79/590005179.db2.gz YVEJZAHYBYAVNZ-OCCSQVGLSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C ZINC000873292947 590022947 /nfs/dbraw/zinc/02/29/47/590022947.db2.gz GVMXSVRPZMIYIQ-DOMZBBRYSA-N 2 2 246.398 2.725 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000019959638 590055870 /nfs/dbraw/zinc/05/58/70/590055870.db2.gz UDFURHLPJXNIHX-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCCCCC1 ZINC000019959638 590055872 /nfs/dbraw/zinc/05/58/72/590055872.db2.gz UDFURHLPJXNIHX-AWEZNQCLSA-N 2 2 224.392 2.783 20 0 BFADLP CC1(C[NH2+]Cc2c[nH+]c3n2CCCC3)CCCC1 ZINC000877508408 590342296 /nfs/dbraw/zinc/34/22/96/590342296.db2.gz XGEAKELSISJXOK-UHFFFAOYSA-N 2 2 247.386 2.889 20 0 BFADLP C(CC1CC1)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000878036712 590473483 /nfs/dbraw/zinc/47/34/83/590473483.db2.gz PWZZDQOAANUTHJ-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP C(CC1CC1)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000878036712 590473484 /nfs/dbraw/zinc/47/34/84/590473484.db2.gz PWZZDQOAANUTHJ-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCCC3CC3)C2)[nH]1 ZINC000878252059 590529283 /nfs/dbraw/zinc/52/92/83/590529283.db2.gz AQUPWUDQDFHHAM-ZDUSSCGKSA-N 2 2 233.359 2.779 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+](CCCC3CC3)C2)[nH]1 ZINC000878252059 590529285 /nfs/dbraw/zinc/52/92/85/590529285.db2.gz AQUPWUDQDFHHAM-ZDUSSCGKSA-N 2 2 233.359 2.779 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252912 590529618 /nfs/dbraw/zinc/52/96/18/590529618.db2.gz YSIOSDNDKAXFIR-ITDFMYJTSA-N 2 2 231.343 2.721 20 0 BFADLP C=C/C=C/CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000878252912 590529620 /nfs/dbraw/zinc/52/96/20/590529620.db2.gz YSIOSDNDKAXFIR-ITDFMYJTSA-N 2 2 231.343 2.721 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC000880136170 590936680 /nfs/dbraw/zinc/93/66/80/590936680.db2.gz HFZIGVWATHLNMP-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC000880136170 590936682 /nfs/dbraw/zinc/93/66/82/590936682.db2.gz HFZIGVWATHLNMP-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C ZINC000880136170 590936684 /nfs/dbraw/zinc/93/66/84/590936684.db2.gz HFZIGVWATHLNMP-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC(C)(C)C ZINC000880136170 590936686 /nfs/dbraw/zinc/93/66/86/590936686.db2.gz HFZIGVWATHLNMP-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136348 590937250 /nfs/dbraw/zinc/93/72/50/590937250.db2.gz KQRCPNINWXOOPW-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136348 590937251 /nfs/dbraw/zinc/93/72/51/590937251.db2.gz KQRCPNINWXOOPW-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136348 590937255 /nfs/dbraw/zinc/93/72/55/590937255.db2.gz KQRCPNINWXOOPW-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880136348 590937259 /nfs/dbraw/zinc/93/72/59/590937259.db2.gz KQRCPNINWXOOPW-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC000880134183 590937480 /nfs/dbraw/zinc/93/74/80/590937480.db2.gz RUIHJRHQTRQLDQ-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC000880134183 590937482 /nfs/dbraw/zinc/93/74/82/590937482.db2.gz RUIHJRHQTRQLDQ-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC000880134183 590937484 /nfs/dbraw/zinc/93/74/84/590937484.db2.gz RUIHJRHQTRQLDQ-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC1CCCC1 ZINC000880134183 590937487 /nfs/dbraw/zinc/93/74/87/590937487.db2.gz RUIHJRHQTRQLDQ-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)C(C)(C)C ZINC000880140216 590939322 /nfs/dbraw/zinc/93/93/22/590939322.db2.gz ADIHRFXLOASOBU-MCIONIFRSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C)C(C)(C)C ZINC000880140216 590939324 /nfs/dbraw/zinc/93/93/24/590939324.db2.gz ADIHRFXLOASOBU-MCIONIFRSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C)C(C)(C)C ZINC000880140216 590939327 /nfs/dbraw/zinc/93/93/27/590939327.db2.gz ADIHRFXLOASOBU-MCIONIFRSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C)C(C)(C)C ZINC000880140216 590939328 /nfs/dbraw/zinc/93/93/28/590939328.db2.gz ADIHRFXLOASOBU-MCIONIFRSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)C(C)(C)C ZINC000880140218 590940164 /nfs/dbraw/zinc/94/01/64/590940164.db2.gz ADIHRFXLOASOBU-MGPQQGTHSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C)C(C)(C)C ZINC000880140218 590940166 /nfs/dbraw/zinc/94/01/66/590940166.db2.gz ADIHRFXLOASOBU-MGPQQGTHSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C)C(C)(C)C ZINC000880140218 590940167 /nfs/dbraw/zinc/94/01/67/590940167.db2.gz ADIHRFXLOASOBU-MGPQQGTHSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C)C(C)(C)C ZINC000880140218 590940169 /nfs/dbraw/zinc/94/01/69/590940169.db2.gz ADIHRFXLOASOBU-MGPQQGTHSA-N 2 2 238.419 2.837 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC12CCC(CC1)C2 ZINC000880142316 590941311 /nfs/dbraw/zinc/94/13/11/590941311.db2.gz NABZDSOXNNJJPW-LVDPKSTMSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC12CCC(CC1)C2 ZINC000880142316 590941314 /nfs/dbraw/zinc/94/13/14/590941314.db2.gz NABZDSOXNNJJPW-LVDPKSTMSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC12CCC(CC1)C2 ZINC000880142316 590941318 /nfs/dbraw/zinc/94/13/18/590941318.db2.gz NABZDSOXNNJJPW-LVDPKSTMSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC12CCC(CC1)C2 ZINC000880142316 590941322 /nfs/dbraw/zinc/94/13/22/590941322.db2.gz NABZDSOXNNJJPW-LVDPKSTMSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC12CCC(CC1)C2 ZINC000880142315 590942770 /nfs/dbraw/zinc/94/27/70/590942770.db2.gz NABZDSOXNNJJPW-FYRZTWFESA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC12CCC(CC1)C2 ZINC000880142315 590942773 /nfs/dbraw/zinc/94/27/73/590942773.db2.gz NABZDSOXNNJJPW-FYRZTWFESA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC12CCC(CC1)C2 ZINC000880142315 590942776 /nfs/dbraw/zinc/94/27/76/590942776.db2.gz NABZDSOXNNJJPW-FYRZTWFESA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC12CCC(CC1)C2 ZINC000880142315 590942780 /nfs/dbraw/zinc/94/27/80/590942780.db2.gz NABZDSOXNNJJPW-FYRZTWFESA-N 2 2 248.414 2.735 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC2(CCC2)C1 ZINC000880141724 590942790 /nfs/dbraw/zinc/94/27/90/590942790.db2.gz SVNJJEFZQCZNLO-GJZGRUSLSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CC2(CCC2)C1 ZINC000880141724 590942792 /nfs/dbraw/zinc/94/27/92/590942792.db2.gz SVNJJEFZQCZNLO-GJZGRUSLSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC2(CCC2)C1 ZINC000880141724 590942796 /nfs/dbraw/zinc/94/27/96/590942796.db2.gz SVNJJEFZQCZNLO-GJZGRUSLSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CC2(CCC2)C1 ZINC000880141724 590942799 /nfs/dbraw/zinc/94/27/99/590942799.db2.gz SVNJJEFZQCZNLO-GJZGRUSLSA-N 2 2 248.414 2.735 20 0 BFADLP c1cn(C[C@H]([NH2+]CC2CC2)c2ccccc2)c[nH+]1 ZINC000880571923 591098462 /nfs/dbraw/zinc/09/84/62/591098462.db2.gz VWIFMJBLZDYQSZ-HNNXBMFYSA-N 2 2 241.338 2.624 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000130537088 591480715 /nfs/dbraw/zinc/48/07/15/591480715.db2.gz GVSOCVUVCZBZBL-DZGCQCFKSA-N 2 2 232.371 2.658 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000130537088 591480719 /nfs/dbraw/zinc/48/07/19/591480719.db2.gz GVSOCVUVCZBZBL-DZGCQCFKSA-N 2 2 232.371 2.658 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCC3(CC3)C1)C2 ZINC000883223294 591578070 /nfs/dbraw/zinc/57/80/70/591578070.db2.gz MFXCTWJTIZBDJY-NWDGAFQWSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCC3(CC3)C1)CC2 ZINC000883223294 591578072 /nfs/dbraw/zinc/57/80/72/591578072.db2.gz MFXCTWJTIZBDJY-NWDGAFQWSA-N 2 2 245.370 2.579 20 0 BFADLP CC[N@@H+]1CC[C@H](Nc2c[nH+]c(C)c(C)c2)[C@@H](C)C1 ZINC000883340868 591620070 /nfs/dbraw/zinc/62/00/70/591620070.db2.gz BAAYDGIDXGHJMB-WFASDCNBSA-N 2 2 247.386 2.841 20 0 BFADLP CC[N@H+]1CC[C@H](Nc2c[nH+]c(C)c(C)c2)[C@@H](C)C1 ZINC000883340868 591620072 /nfs/dbraw/zinc/62/00/72/591620072.db2.gz BAAYDGIDXGHJMB-WFASDCNBSA-N 2 2 247.386 2.841 20 0 BFADLP Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@H]2C)c[nH+]c1C ZINC000883341945 591620140 /nfs/dbraw/zinc/62/01/40/591620140.db2.gz FLTHDYSGBVYXOV-ABAIWWIYSA-N 2 2 245.370 2.593 20 0 BFADLP Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c[nH+]c1C ZINC000883341945 591620143 /nfs/dbraw/zinc/62/01/43/591620143.db2.gz FLTHDYSGBVYXOV-ABAIWWIYSA-N 2 2 245.370 2.593 20 0 BFADLP Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c[nH+]c1C ZINC000883341861 591620354 /nfs/dbraw/zinc/62/03/54/591620354.db2.gz BXKRGGFAUSYBJR-YPMHNXCESA-N 2 2 233.359 2.593 20 0 BFADLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c[nH+]c1C ZINC000883341861 591620355 /nfs/dbraw/zinc/62/03/55/591620355.db2.gz BXKRGGFAUSYBJR-YPMHNXCESA-N 2 2 233.359 2.593 20 0 BFADLP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c[nH+]c1C ZINC000883341858 591620383 /nfs/dbraw/zinc/62/03/83/591620383.db2.gz BXKRGGFAUSYBJR-AAEUAGOBSA-N 2 2 233.359 2.593 20 0 BFADLP Cc1cc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c[nH+]c1C ZINC000883341858 591620386 /nfs/dbraw/zinc/62/03/86/591620386.db2.gz BXKRGGFAUSYBJR-AAEUAGOBSA-N 2 2 233.359 2.593 20 0 BFADLP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]c1C ZINC000883341943 591620931 /nfs/dbraw/zinc/62/09/31/591620931.db2.gz FKKORTSQIADQAW-UKRRQHHQSA-N 2 2 245.370 2.737 20 0 BFADLP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c[nH+]c1C ZINC000883341943 591620933 /nfs/dbraw/zinc/62/09/33/591620933.db2.gz FKKORTSQIADQAW-UKRRQHHQSA-N 2 2 245.370 2.737 20 0 BFADLP CC[N@@H+]1CC[C@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000883360016 591629492 /nfs/dbraw/zinc/62/94/92/591629492.db2.gz SCOFIXNZRXONBX-BWPKMQGJSA-N 2 2 248.345 2.523 20 0 BFADLP CC[N@H+]1CC[C@H]1C[NH2+]C/C=C/c1ccc(F)cc1 ZINC000883360016 591629495 /nfs/dbraw/zinc/62/94/95/591629495.db2.gz SCOFIXNZRXONBX-BWPKMQGJSA-N 2 2 248.345 2.523 20 0 BFADLP Cc1ccc(N[C@H]2C[C@H]([NH3+])c3ccccc32)c[nH+]1 ZINC000132203806 591693527 /nfs/dbraw/zinc/69/35/27/591693527.db2.gz TWXKBIOTLAOKJM-GJZGRUSLSA-N 2 2 239.322 2.947 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885937663 592111011 /nfs/dbraw/zinc/11/10/11/592111011.db2.gz GJAQGXLDBJYQKM-OMVNSRBRSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885937663 592111012 /nfs/dbraw/zinc/11/10/12/592111012.db2.gz GJAQGXLDBJYQKM-OMVNSRBRSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC000885943721 592111673 /nfs/dbraw/zinc/11/16/73/592111673.db2.gz AVCVMBMUPVRPAA-BYPUDFOVSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC000885943721 592111675 /nfs/dbraw/zinc/11/16/75/592111675.db2.gz AVCVMBMUPVRPAA-BYPUDFOVSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315422 592206880 /nfs/dbraw/zinc/20/68/80/592206880.db2.gz LNFODWJIKPRZMW-UGUYLWEFSA-N 2 2 248.414 2.591 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315422 592206881 /nfs/dbraw/zinc/20/68/81/592206881.db2.gz LNFODWJIKPRZMW-UGUYLWEFSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315422 592206882 /nfs/dbraw/zinc/20/68/82/592206882.db2.gz LNFODWJIKPRZMW-UGUYLWEFSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315422 592206883 /nfs/dbraw/zinc/20/68/83/592206883.db2.gz LNFODWJIKPRZMW-UGUYLWEFSA-N 2 2 248.414 2.591 20 0 BFADLP c1cn2c(cccc2C[NH2+]C2(C3CC3)CCC2)[nH+]1 ZINC000886392148 592222333 /nfs/dbraw/zinc/22/23/33/592222333.db2.gz XHWKRENIOBPXDG-UHFFFAOYSA-N 2 2 241.338 2.757 20 0 BFADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000886422255 592224238 /nfs/dbraw/zinc/22/42/38/592224238.db2.gz JCSLIFCNWULNMF-OAHLLOKOSA-N 2 2 243.354 2.767 20 0 BFADLP [NH3+]CC[N@@H+](Cc1cccc(Cl)c1)CC1CC1 ZINC000886863718 592374335 /nfs/dbraw/zinc/37/43/35/592374335.db2.gz PRRQRHNRJAMAOH-UHFFFAOYSA-N 2 2 238.762 2.511 20 0 BFADLP [NH3+]CC[N@H+](Cc1cccc(Cl)c1)CC1CC1 ZINC000886863718 592374340 /nfs/dbraw/zinc/37/43/40/592374340.db2.gz PRRQRHNRJAMAOH-UHFFFAOYSA-N 2 2 238.762 2.511 20 0 BFADLP C[C@H]([NH3+])[C@H]([NH2+]CCC(C)(C)F)c1ccccc1 ZINC000925705853 634388822 /nfs/dbraw/zinc/38/88/22/634388822.db2.gz CKKOMMDHWKFYLX-AAEUAGOBSA-N 2 2 238.350 2.803 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257696458 634468882 /nfs/dbraw/zinc/46/88/82/634468882.db2.gz KGMBAQHOJOCBDI-HOCLYGCPSA-N 2 2 244.382 2.966 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257696458 634468886 /nfs/dbraw/zinc/46/88/86/634468886.db2.gz KGMBAQHOJOCBDI-HOCLYGCPSA-N 2 2 244.382 2.966 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000257704545 634472719 /nfs/dbraw/zinc/47/27/19/634472719.db2.gz QYKDACPKJHWUNN-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000257704545 634472728 /nfs/dbraw/zinc/47/27/28/634472728.db2.gz QYKDACPKJHWUNN-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000054110874 635393252 /nfs/dbraw/zinc/39/32/52/635393252.db2.gz KELRMGKRYKKABI-OAHLLOKOSA-N 2 2 248.414 2.938 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000054110874 635393256 /nfs/dbraw/zinc/39/32/56/635393256.db2.gz KELRMGKRYKKABI-OAHLLOKOSA-N 2 2 248.414 2.938 20 0 BFADLP C[C@@H]([NH3+])[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1 ZINC000925824897 635419073 /nfs/dbraw/zinc/41/90/73/635419073.db2.gz WASLEIJXQCUQOV-YIOMQEEZSA-N 2 2 244.382 2.709 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000233430201 635531502 /nfs/dbraw/zinc/53/15/02/635531502.db2.gz BOEIURBBKKESMN-QWHCGFSZSA-N 2 2 244.448 2.592 20 0 BFADLP C[N@H+](C[C@H]1CCC[NH2+]1)[C@@H]1CCCc2ccccc21 ZINC000234336563 631395749 /nfs/dbraw/zinc/39/57/49/631395749.db2.gz YCMKGYZBLRMVMM-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@@H+](C[C@H]1CCC[NH2+]1)[C@@H]1CCCc2ccccc21 ZINC000234336563 631395754 /nfs/dbraw/zinc/39/57/54/631395754.db2.gz YCMKGYZBLRMVMM-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2CCC[C@H]2C)CC1 ZINC000309818078 633780720 /nfs/dbraw/zinc/78/07/20/633780720.db2.gz VRORWHAOLTYAKQ-ZIAGYGMSSA-N 2 2 222.376 2.559 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H]2C)CC1 ZINC000309818078 633780723 /nfs/dbraw/zinc/78/07/23/633780723.db2.gz VRORWHAOLTYAKQ-ZIAGYGMSSA-N 2 2 222.376 2.559 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925605105 634134088 /nfs/dbraw/zinc/13/40/88/634134088.db2.gz PCZJACSTEQXETE-RZFFKMDDSA-N 2 2 232.371 2.853 20 0 BFADLP CC1(C[NH2+]CCCCn2cc[nH+]c2)CCCC1 ZINC000310539688 636265897 /nfs/dbraw/zinc/26/58/97/636265897.db2.gz QIQCELORZZHIOB-UHFFFAOYSA-N 2 2 235.375 2.833 20 0 BFADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925173251 636351270 /nfs/dbraw/zinc/35/12/70/636351270.db2.gz XLZXBEIBTUYPLM-UPJWGTAASA-N 2 2 247.386 2.785 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000631859890 636360584 /nfs/dbraw/zinc/36/05/84/636360584.db2.gz FQCAUPZLMBGKFG-JOYOIKCWSA-N 2 2 240.297 2.546 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000631859890 636360595 /nfs/dbraw/zinc/36/05/95/636360595.db2.gz FQCAUPZLMBGKFG-JOYOIKCWSA-N 2 2 240.297 2.546 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000052062016 636670526 /nfs/dbraw/zinc/67/05/26/636670526.db2.gz RFZVRWDCSPROAW-HNNXBMFYSA-N 2 2 240.350 2.634 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000052062016 636670537 /nfs/dbraw/zinc/67/05/37/636670537.db2.gz RFZVRWDCSPROAW-HNNXBMFYSA-N 2 2 240.350 2.634 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]CCC(C)(C)C ZINC000053345030 636703143 /nfs/dbraw/zinc/70/31/43/636703143.db2.gz SMSPVHWKQYQXGZ-UHFFFAOYSA-N 2 2 214.397 2.744 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]CCC(C)(C)C ZINC000053345030 636703153 /nfs/dbraw/zinc/70/31/53/636703153.db2.gz SMSPVHWKQYQXGZ-UHFFFAOYSA-N 2 2 214.397 2.744 20 0 BFADLP [NH3+][C@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000054465523 636716638 /nfs/dbraw/zinc/71/66/38/636716638.db2.gz NPDWSAWVHHXOEC-LBPRGKRZSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+][C@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000054465523 636716642 /nfs/dbraw/zinc/71/66/42/636716642.db2.gz NPDWSAWVHHXOEC-LBPRGKRZSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CC2(C1)CCCC2 ZINC000924648862 636972166 /nfs/dbraw/zinc/97/21/66/636972166.db2.gz MEEQSRFEKXKMHK-LBPRGKRZSA-N 2 2 233.359 2.584 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000924827658 639297880 /nfs/dbraw/zinc/29/78/80/639297880.db2.gz JRLBSTDCJCKXOS-VHDGCEQUSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000924827658 639297885 /nfs/dbraw/zinc/29/78/85/639297885.db2.gz JRLBSTDCJCKXOS-VHDGCEQUSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccoc1)C1CC1 ZINC000934001884 640801977 /nfs/dbraw/zinc/80/19/77/640801977.db2.gz KCRLIJPBMVLBFK-AWEZNQCLSA-N 2 2 248.370 2.728 20 0 BFADLP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccoc1)C1CC1 ZINC000934001884 640801982 /nfs/dbraw/zinc/80/19/82/640801982.db2.gz KCRLIJPBMVLBFK-AWEZNQCLSA-N 2 2 248.370 2.728 20 0 BFADLP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934001884 640801984 /nfs/dbraw/zinc/80/19/84/640801984.db2.gz KCRLIJPBMVLBFK-AWEZNQCLSA-N 2 2 248.370 2.728 20 0 BFADLP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccoc1)C1CC1 ZINC000934001884 640801987 /nfs/dbraw/zinc/80/19/87/640801987.db2.gz KCRLIJPBMVLBFK-AWEZNQCLSA-N 2 2 248.370 2.728 20 0 BFADLP [NH3+]C[C@@H]([NH2+]CC1CC1)c1ccc2ccccc2c1 ZINC000087912352 641150133 /nfs/dbraw/zinc/15/01/33/641150133.db2.gz YDAUFCZXIGWJKX-MRXNPFEDSA-N 2 2 240.350 2.839 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723560264 711516936 /nfs/dbraw/zinc/51/69/36/711516936.db2.gz RUAXKXPIBBYJBB-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC000049500985 643077532 /nfs/dbraw/zinc/07/75/32/643077532.db2.gz HCPIGGILJCFWGB-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc(C[NH2+]CC[NH2+]C(C)(C)C)s1 ZINC000086137911 643923735 /nfs/dbraw/zinc/92/37/35/643923735.db2.gz ZXSUQFHIQSCKMG-UHFFFAOYSA-N 2 2 226.389 2.534 20 0 BFADLP CC1(C)CC[N@H+](CC[NH2+]C2CCCCC2)C1 ZINC000085734232 644452451 /nfs/dbraw/zinc/45/24/51/644452451.db2.gz PCXJSMYFJRETLJ-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC1(C)CC[N@@H+](CC[NH2+]C2CCCCC2)C1 ZINC000085734232 644452453 /nfs/dbraw/zinc/45/24/53/644452453.db2.gz PCXJSMYFJRETLJ-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1C)[NH+]1CCCCC1 ZINC000252108122 644835590 /nfs/dbraw/zinc/83/55/90/644835590.db2.gz HIWDGGUTKFIODQ-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP C1[C@@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H]1C1CCC1 ZINC000926616604 645317938 /nfs/dbraw/zinc/31/79/38/645317938.db2.gz UKJATQLHBWJTRR-ZJIFWQFVSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H]1C1CCC1 ZINC000926616604 645317943 /nfs/dbraw/zinc/31/79/43/645317943.db2.gz UKJATQLHBWJTRR-ZJIFWQFVSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCC1 ZINC000926648210 645334458 /nfs/dbraw/zinc/33/44/58/645334458.db2.gz JCGSOIWDLLHUDD-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC1([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCC1 ZINC000926648210 645334463 /nfs/dbraw/zinc/33/44/63/645334463.db2.gz JCGSOIWDLLHUDD-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP CC(C)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848927026 645445800 /nfs/dbraw/zinc/44/58/00/645445800.db2.gz AHYJWPNOMAQUOI-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848927026 645445819 /nfs/dbraw/zinc/44/58/19/645445819.db2.gz AHYJWPNOMAQUOI-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP C=C/C=C\CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926844708 645453825 /nfs/dbraw/zinc/45/38/25/645453825.db2.gz MGXJJUWYCIKEJC-OVNWPICBSA-N 2 2 234.387 2.725 20 0 BFADLP C=C/C=C\CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926844708 645453842 /nfs/dbraw/zinc/45/38/42/645453842.db2.gz MGXJJUWYCIKEJC-OVNWPICBSA-N 2 2 234.387 2.725 20 0 BFADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926883510 645473316 /nfs/dbraw/zinc/47/33/16/645473316.db2.gz APDKWVCJIGXSJV-OWDFPOFWSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926883510 645473320 /nfs/dbraw/zinc/47/33/20/645473320.db2.gz APDKWVCJIGXSJV-OWDFPOFWSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCCCCCC1 ZINC000035275496 646180137 /nfs/dbraw/zinc/18/01/37/646180137.db2.gz HVPMFZYBLMWONV-ZDUSSCGKSA-N 2 2 235.375 2.974 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CC2(C1)CCCC2 ZINC000925177735 646198872 /nfs/dbraw/zinc/19/88/72/646198872.db2.gz PTACRCQYSAKNTH-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CC2(C1)CCCC2 ZINC000925177735 646198876 /nfs/dbraw/zinc/19/88/76/646198876.db2.gz PTACRCQYSAKNTH-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925582879 646346965 /nfs/dbraw/zinc/34/69/65/646346965.db2.gz IIRPHMBVSUOIKD-AWEZNQCLSA-N 2 2 232.371 2.534 20 0 BFADLP CC[C@@H](Nc1c[nH+]c(C)c(C)c1)[C@@H]1CCC[NH2+]1 ZINC000925769788 646470501 /nfs/dbraw/zinc/47/05/01/646470501.db2.gz QSYLNGNVEIBIKS-KGLIPLIRSA-N 2 2 233.359 2.641 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925780995 646477189 /nfs/dbraw/zinc/47/71/89/646477189.db2.gz CKNHZOHPNSLDPS-UHOFOFEASA-N 2 2 244.382 2.570 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925781344 646477449 /nfs/dbraw/zinc/47/74/49/646477449.db2.gz DHEPRWPPYAOSDX-YUELXQCFSA-N 2 2 232.371 2.581 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)CCC2 ZINC000925780993 646477886 /nfs/dbraw/zinc/47/78/86/646477886.db2.gz CKNHZOHPNSLDPS-DAXOMENPSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783794 646479028 /nfs/dbraw/zinc/47/90/28/646479028.db2.gz OUZMBJXBNUTITA-CTHBEMJXSA-N 2 2 244.382 2.741 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926347443 646622157 /nfs/dbraw/zinc/62/21/57/646622157.db2.gz MBDHIYYBUBVBIC-LXTVHRRPSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926347443 646622161 /nfs/dbraw/zinc/62/21/61/646622161.db2.gz MBDHIYYBUBVBIC-LXTVHRRPSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000926450515 646642456 /nfs/dbraw/zinc/64/24/56/646642456.db2.gz OACBBWCBNWIRGA-FZMZJTMJSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)C1([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926489424 646659258 /nfs/dbraw/zinc/65/92/58/646659258.db2.gz ICJYRZHKWQXCBE-ZIAGYGMSSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C1([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926489424 646659262 /nfs/dbraw/zinc/65/92/62/646659262.db2.gz ICJYRZHKWQXCBE-ZIAGYGMSSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000381455534 710637200 /nfs/dbraw/zinc/63/72/00/710637200.db2.gz JGURZIJFMCGEMH-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000381455534 710637201 /nfs/dbraw/zinc/63/72/01/710637201.db2.gz JGURZIJFMCGEMH-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723573220 710728567 /nfs/dbraw/zinc/72/85/67/710728567.db2.gz GVZPYILPAVCFFP-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723573220 710728568 /nfs/dbraw/zinc/72/85/68/710728568.db2.gz GVZPYILPAVCFFP-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CCC1)[NH+]1CCCCC1 ZINC000393801682 710755727 /nfs/dbraw/zinc/75/57/27/710755727.db2.gz RLDHFAZHRYAZRR-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC2CCC1CC2)[N@H+](C)C1CC1 ZINC000382079976 710774151 /nfs/dbraw/zinc/77/41/51/710774151.db2.gz FAKZENLWFXNLHQ-XZNOPERXSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC2CCC1CC2)[N@@H+](C)C1CC1 ZINC000382079976 710774152 /nfs/dbraw/zinc/77/41/52/710774152.db2.gz FAKZENLWFXNLHQ-XZNOPERXSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](c1cccs1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000390061272 711104812 /nfs/dbraw/zinc/10/48/12/711104812.db2.gz UMBZICMCQAITEB-DTWKUNHWSA-N 2 2 248.342 2.723 20 0 BFADLP C[C@@H](c1cccs1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000390061272 711104817 /nfs/dbraw/zinc/10/48/17/711104817.db2.gz UMBZICMCQAITEB-DTWKUNHWSA-N 2 2 248.342 2.723 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)(C)C ZINC000381257676 710613822 /nfs/dbraw/zinc/61/38/22/710613822.db2.gz RCHXVWHMTNHKIQ-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)(C)C ZINC000381257676 710613825 /nfs/dbraw/zinc/61/38/25/710613825.db2.gz RCHXVWHMTNHKIQ-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000257647239 711721414 /nfs/dbraw/zinc/72/14/14/711721414.db2.gz CJQJARIKGSJJLU-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c(C)c1 ZINC000257647239 711721416 /nfs/dbraw/zinc/72/14/16/711721416.db2.gz CJQJARIKGSJJLU-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC[C@@H](C)c2ccccc21 ZINC000925788069 711751752 /nfs/dbraw/zinc/75/17/52/711751752.db2.gz XYNIPJLFNUWPKA-CZPYZCIJSA-N 2 2 244.382 2.823 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[NH+]1CCCCC1 ZINC000378918143 712368109 /nfs/dbraw/zinc/36/81/09/712368109.db2.gz BGZJGCWKPLMMJF-LJISPDSOSA-N 2 2 236.403 2.639 20 0 BFADLP CCCCC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037156865 712549656 /nfs/dbraw/zinc/54/96/56/712549656.db2.gz DNHRUBVJJOKZMI-OLZOCXBDSA-N 2 2 223.364 2.830 20 0 BFADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C(C)C ZINC000037167038 712549659 /nfs/dbraw/zinc/54/96/59/712549659.db2.gz HNQPXCUTEFLOTG-QWHCGFSZSA-N 2 2 214.397 2.597 20 0 BFADLP CC[C@H](C)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156094 712549777 /nfs/dbraw/zinc/54/97/77/712549777.db2.gz ZCEQYOAJNQYANJ-STQMWFEESA-N 2 2 237.391 2.934 20 0 BFADLP Cc1coc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000718095631 712742682 /nfs/dbraw/zinc/74/26/82/712742682.db2.gz WIVGBSOJQHXASS-OLZOCXBDSA-N 2 2 236.359 2.550 20 0 BFADLP Cc1cccc([C@H](C)[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000720770046 712864659 /nfs/dbraw/zinc/86/46/59/712864659.db2.gz RKZBZPAXMMZKCA-GXTWGEPZSA-N 2 2 232.371 2.725 20 0 BFADLP Cc1cccc([C@H](C)[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000720770046 712864660 /nfs/dbraw/zinc/86/46/60/712864660.db2.gz RKZBZPAXMMZKCA-GXTWGEPZSA-N 2 2 232.371 2.725 20 0 BFADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C)[NH3+])cs1 ZINC000309266091 959821159 /nfs/dbraw/zinc/82/11/59/959821159.db2.gz FFXDAQVCWVUCLC-AAEUAGOBSA-N 2 2 238.400 2.758 20 0 BFADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@H](C)[NH3+])cs1 ZINC000309266091 959821163 /nfs/dbraw/zinc/82/11/63/959821163.db2.gz FFXDAQVCWVUCLC-AAEUAGOBSA-N 2 2 238.400 2.758 20 0 BFADLP F[C@H]1CCCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448096 969517201 /nfs/dbraw/zinc/51/72/01/969517201.db2.gz MYMYZBQZNPUHMZ-AWEZNQCLSA-N 2 2 242.382 2.686 20 0 BFADLP F[C@H]1CCCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC001209448096 969517212 /nfs/dbraw/zinc/51/72/12/969517212.db2.gz MYMYZBQZNPUHMZ-AWEZNQCLSA-N 2 2 242.382 2.686 20 0 BFADLP CC(C)C[NH+](CC(C)C)C1CC[NH+](C)CC1 ZINC001256202019 970696569 /nfs/dbraw/zinc/69/65/69/970696569.db2.gz RVBKYNIFLOMQCJ-UHFFFAOYSA-N 2 2 226.408 2.695 20 0 BFADLP CC[C@@H]1CC[C@@H]([N@@H+](CC)C2CC[NH+](C)CC2)C1 ZINC001173276723 975226877 /nfs/dbraw/zinc/22/68/77/975226877.db2.gz DLAJRNPPRFCZPR-UKRRQHHQSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649320 979689885 /nfs/dbraw/zinc/68/98/85/979689885.db2.gz WJFNTFAMLDCZFN-CQSZACIVSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649320 979689890 /nfs/dbraw/zinc/68/98/90/979689890.db2.gz WJFNTFAMLDCZFN-CQSZACIVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H](C)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001201551103 983302589 /nfs/dbraw/zinc/30/25/89/983302589.db2.gz OWUQUYPGERRLMV-CYBMUJFWSA-N 2 2 226.408 2.839 20 0 BFADLP CCC[C@@H](C)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001201551103 983302596 /nfs/dbraw/zinc/30/25/96/983302596.db2.gz OWUQUYPGERRLMV-CYBMUJFWSA-N 2 2 226.408 2.839 20 0 BFADLP CCCCCC[N@H+](CC)CCn1cc[nH+]c1 ZINC001201756336 983460413 /nfs/dbraw/zinc/46/04/13/983460413.db2.gz JRODRKNCAKDAQH-UHFFFAOYSA-N 2 2 223.364 2.785 20 0 BFADLP CCCCCC[N@@H+](CC)CCn1cc[nH+]c1 ZINC001201756336 983460418 /nfs/dbraw/zinc/46/04/18/983460418.db2.gz JRODRKNCAKDAQH-UHFFFAOYSA-N 2 2 223.364 2.785 20 0 BFADLP CNc1cc(Nc2cc(C)cc[nH+]2)cc[nH+]1 ZINC001216330850 971040152 /nfs/dbraw/zinc/04/01/52/971040152.db2.gz DAFBHLADMVXNMJ-UHFFFAOYSA-N 2 2 214.272 2.570 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC001257214628 971129519 /nfs/dbraw/zinc/12/95/19/971129519.db2.gz HYSVDMGHNDBXGI-TZMCWYRMSA-N 2 2 242.382 2.539 20 0 BFADLP CC(C)[NH+]1CCC([N@H+]2CC[C@@H](C)[C@H](F)C2)CC1 ZINC001257214628 971129531 /nfs/dbraw/zinc/12/95/31/971129531.db2.gz HYSVDMGHNDBXGI-TZMCWYRMSA-N 2 2 242.382 2.539 20 0 BFADLP CCC(CC)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001257291921 971178141 /nfs/dbraw/zinc/17/81/41/971178141.db2.gz OHQRNDOAPVQRFE-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CCC(CC)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001257291921 971178144 /nfs/dbraw/zinc/17/81/44/971178144.db2.gz OHQRNDOAPVQRFE-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC(CCC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257338868 971246420 /nfs/dbraw/zinc/24/64/20/971246420.db2.gz CIOFRPZHURMDMW-UKRRQHHQSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257338868 971246428 /nfs/dbraw/zinc/24/64/28/971246428.db2.gz CIOFRPZHURMDMW-UKRRQHHQSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001257338868 971246434 /nfs/dbraw/zinc/24/64/34/971246434.db2.gz CIOFRPZHURMDMW-UKRRQHHQSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001257338868 971246439 /nfs/dbraw/zinc/24/64/39/971246439.db2.gz CIOFRPZHURMDMW-UKRRQHHQSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257420544 971319994 /nfs/dbraw/zinc/31/99/94/971319994.db2.gz MVFHIAIMKMOMGN-ZDUSSCGKSA-N 2 2 235.375 2.976 20 0 BFADLP CCCC[C@H](CC)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257420544 971319996 /nfs/dbraw/zinc/31/99/96/971319996.db2.gz MVFHIAIMKMOMGN-ZDUSSCGKSA-N 2 2 235.375 2.976 20 0 BFADLP CCCC[C@H](CC)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257426075 971329177 /nfs/dbraw/zinc/32/91/77/971329177.db2.gz GDGSYQZXBZQUOY-SOUVJXGZSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257426075 971329184 /nfs/dbraw/zinc/32/91/84/971329184.db2.gz GDGSYQZXBZQUOY-SOUVJXGZSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001257426075 971329189 /nfs/dbraw/zinc/32/91/89/971329189.db2.gz GDGSYQZXBZQUOY-SOUVJXGZSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001257426075 971329194 /nfs/dbraw/zinc/32/91/94/971329194.db2.gz GDGSYQZXBZQUOY-SOUVJXGZSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001257447178 971362991 /nfs/dbraw/zinc/36/29/91/971362991.db2.gz ARZPYKUWFYHHFZ-STQMWFEESA-N 2 2 234.343 2.642 20 0 BFADLP CC[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001257447178 971363000 /nfs/dbraw/zinc/36/30/00/971363000.db2.gz ARZPYKUWFYHHFZ-STQMWFEESA-N 2 2 234.343 2.642 20 0 BFADLP CCC[C@@H](C)CC[C@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001257469887 971392101 /nfs/dbraw/zinc/39/21/01/971392101.db2.gz BUOSHMCCUHLNGN-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CCC=CNc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001170767795 971761080 /nfs/dbraw/zinc/76/10/80/971761080.db2.gz WMODVAZZINYOBG-SMDADKPZSA-N 2 2 245.370 2.555 20 0 BFADLP CCC=CNc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 ZINC001170767795 971761085 /nfs/dbraw/zinc/76/10/85/971761085.db2.gz WMODVAZZINYOBG-SMDADKPZSA-N 2 2 245.370 2.555 20 0 BFADLP Cc1cc(-c2cccc([C@@H](C)[NH3+])c2)c[nH+]c1N ZINC001245540124 971853243 /nfs/dbraw/zinc/85/32/43/971853243.db2.gz RMUIGTCIHSRCNV-SNVBAGLBSA-N 2 2 227.311 2.659 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172359927 974630415 /nfs/dbraw/zinc/63/04/15/974630415.db2.gz GCZINYRJEHKQIR-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172359927 974630418 /nfs/dbraw/zinc/63/04/18/974630418.db2.gz GCZINYRJEHKQIR-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246085672 972140783 /nfs/dbraw/zinc/14/07/83/972140783.db2.gz IRJDWFLTCZUTGJ-XUXIUFHCSA-N 2 2 244.398 2.881 20 0 BFADLP CCCC[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246097386 972149335 /nfs/dbraw/zinc/14/93/35/972149335.db2.gz OFYRSPXINLUIDA-MGPQQGTHSA-N 2 2 244.398 2.881 20 0 BFADLP CCC[C@@H](C)CC[C@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246115457 972183727 /nfs/dbraw/zinc/18/37/27/972183727.db2.gz YUYPIZXOAXXXRW-RQJABVFESA-N 2 2 244.398 2.881 20 0 BFADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001172404453 974657143 /nfs/dbraw/zinc/65/71/43/974657143.db2.gz XWBLLANOKXWTEB-KFWWJZLASA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C[NH2+]1 ZINC001246205513 972217521 /nfs/dbraw/zinc/21/75/21/972217521.db2.gz UNYAYUXPZMRGCX-FZMZJTMJSA-N 2 2 244.338 2.663 20 0 BFADLP C[NH+](C)Cc1cccc(CNc2cccc[nH+]2)c1 ZINC000076677656 957333646 /nfs/dbraw/zinc/33/36/46/957333646.db2.gz GRXYNGBMCUJJCJ-UHFFFAOYSA-N 2 2 241.338 2.755 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000398226859 958159370 /nfs/dbraw/zinc/15/93/70/958159370.db2.gz QOZGJDIBGWHFHI-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000398226859 958159378 /nfs/dbraw/zinc/15/93/78/958159378.db2.gz QOZGJDIBGWHFHI-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cccc(C[N@@H+](C)[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399027604 958490239 /nfs/dbraw/zinc/49/02/39/958490239.db2.gz KKOPJTPQQHNJSQ-HIFRSBDPSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[N@H+](C)[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399027604 958490244 /nfs/dbraw/zinc/49/02/44/958490244.db2.gz KKOPJTPQQHNJSQ-HIFRSBDPSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccccc1C[N@@H+](C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399030209 958491764 /nfs/dbraw/zinc/49/17/64/958491764.db2.gz LKYDFDWZNVFJNR-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccccc1C[N@H+](C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000399030209 958491780 /nfs/dbraw/zinc/49/17/80/958491780.db2.gz LKYDFDWZNVFJNR-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000399211379 958566354 /nfs/dbraw/zinc/56/63/54/958566354.db2.gz XVVRVFQZZQPFFN-COPLHBTASA-N 2 2 236.334 2.617 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000399211391 958570081 /nfs/dbraw/zinc/57/00/81/958570081.db2.gz XVVRVFQZZQPFFN-MJVIPROJSA-N 2 2 236.334 2.617 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)c1 ZINC000399501506 958753433 /nfs/dbraw/zinc/75/34/33/958753433.db2.gz WSNODDTYTZMGQQ-DZGCQCFKSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)c1 ZINC000399501506 958753434 /nfs/dbraw/zinc/75/34/34/958753434.db2.gz WSNODDTYTZMGQQ-DZGCQCFKSA-N 2 2 232.371 2.615 20 0 BFADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cscc1Cl ZINC000308921768 959389203 /nfs/dbraw/zinc/38/92/03/959389203.db2.gz CHXUKHLBGSRBAR-VIFPVBQESA-N 2 2 246.807 2.831 20 0 BFADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cscc1Cl ZINC000308921767 959546855 /nfs/dbraw/zinc/54/68/55/959546855.db2.gz CHXUKHLBGSRBAR-SECBINFHSA-N 2 2 246.807 2.831 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1F ZINC001140802152 960586108 /nfs/dbraw/zinc/58/61/08/960586108.db2.gz OWAXMWVGWNQMKD-ZWNOBZJWSA-N 2 2 247.317 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C[C@H]1F ZINC001140802152 960586125 /nfs/dbraw/zinc/58/61/25/960586125.db2.gz OWAXMWVGWNQMKD-ZWNOBZJWSA-N 2 2 247.317 2.743 20 0 BFADLP c1cc2ccc(C[N@@H+]3CCC[NH2+]CC3)cc2s1 ZINC001204674506 961374611 /nfs/dbraw/zinc/37/46/11/961374611.db2.gz AGXAJULKZRHTIS-UHFFFAOYSA-N 2 2 246.379 2.697 20 0 BFADLP c1cc2ccc(C[N@H+]3CCC[NH2+]CC3)cc2s1 ZINC001204674506 961374624 /nfs/dbraw/zinc/37/46/24/961374624.db2.gz AGXAJULKZRHTIS-UHFFFAOYSA-N 2 2 246.379 2.697 20 0 BFADLP CCCC[C@@H](CCC)[NH2+][C@H](C)C[NH+](C)C ZINC000713955892 963564708 /nfs/dbraw/zinc/56/47/08/963564708.db2.gz OHAMVYHXRVAEFK-CHWSQXEVSA-N 2 2 214.397 2.885 20 0 BFADLP Cc1c[nH+]c(NC=CC2CC[NH2+]CC2)c(C)c1 ZINC001159234370 964025076 /nfs/dbraw/zinc/02/50/76/964025076.db2.gz MXWCPHMGZXASPG-VMPITWQZSA-N 2 2 231.343 2.624 20 0 BFADLP Cc1cc(CC(C)C)[nH+]cc1NC1=CC[NH2+]CC1 ZINC001159371122 964067936 /nfs/dbraw/zinc/06/79/36/964067936.db2.gz DVDSBKVPZQJSHK-UHFFFAOYSA-N 2 2 245.370 2.878 20 0 BFADLP C[C@H](CC[NH2+]Cc1ccccc1Cl)[NH+](C)C ZINC000697918464 964679531 /nfs/dbraw/zinc/67/95/31/964679531.db2.gz WDBLBEUJPQOYNZ-LLVKDONJSA-N 2 2 240.778 2.770 20 0 BFADLP Cc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[NH+](C)C ZINC001162405390 964965967 /nfs/dbraw/zinc/96/59/67/964965967.db2.gz UTXIRUUGCJAZKE-OLZOCXBDSA-N 2 2 247.386 2.743 20 0 BFADLP C[NH2+]CC[N@H+](C)CCCCCc1ccccc1 ZINC001204720896 965092470 /nfs/dbraw/zinc/09/24/70/965092470.db2.gz YSDJKOFPSXGPMV-UHFFFAOYSA-N 2 2 234.387 2.551 20 0 BFADLP C[NH2+]CC[N@@H+](C)CCCCCc1ccccc1 ZINC001204720896 965092482 /nfs/dbraw/zinc/09/24/82/965092482.db2.gz YSDJKOFPSXGPMV-UHFFFAOYSA-N 2 2 234.387 2.551 20 0 BFADLP CN(CCC[NH+](C)C)c1[nH+]ccc2ccccc21 ZINC001163595661 965473006 /nfs/dbraw/zinc/47/30/06/965473006.db2.gz RULIXWWCCBHHDO-UHFFFAOYSA-N 2 2 243.354 2.623 20 0 BFADLP Cc1ccc2c(cc[nH+]c2N[C@@H](C)C[NH+](C)C)c1 ZINC001163770471 965574845 /nfs/dbraw/zinc/57/48/45/965574845.db2.gz JZNKOJSQHDZSLC-LBPRGKRZSA-N 2 2 243.354 2.905 20 0 BFADLP C[C@H](CC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1)CC(C)(C)C ZINC001235165285 966017021 /nfs/dbraw/zinc/01/70/21/966017021.db2.gz IKLMLLGHCXCGIP-VNHYZAJKSA-N 2 2 238.419 2.872 20 0 BFADLP C[C@H](CC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1)CC(C)(C)C ZINC001235165285 966017034 /nfs/dbraw/zinc/01/70/34/966017034.db2.gz IKLMLLGHCXCGIP-VNHYZAJKSA-N 2 2 238.419 2.872 20 0 BFADLP CC(C)=CCC[C@@H](C)C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167342 966020684 /nfs/dbraw/zinc/02/06/84/966020684.db2.gz YRQZNRLVDYWTIJ-QLFBSQMISA-N 2 2 236.403 2.792 20 0 BFADLP CC(C)=CCC[C@@H](C)C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167342 966020697 /nfs/dbraw/zinc/02/06/97/966020697.db2.gz YRQZNRLVDYWTIJ-QLFBSQMISA-N 2 2 236.403 2.792 20 0 BFADLP C(CC1CCCCC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235235815 966032647 /nfs/dbraw/zinc/03/26/47/966032647.db2.gz SQAWZSPVKKESGV-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235235815 966032661 /nfs/dbraw/zinc/03/26/61/966032661.db2.gz SQAWZSPVKKESGV-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP Cc1sc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236169103 966282628 /nfs/dbraw/zinc/28/26/28/966282628.db2.gz ATHOOHSZULXXPA-NSHDSACASA-N 2 2 246.379 2.743 20 0 BFADLP Cc1sc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001236169103 966282632 /nfs/dbraw/zinc/28/26/32/966282632.db2.gz ATHOOHSZULXXPA-NSHDSACASA-N 2 2 246.379 2.743 20 0 BFADLP Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236169098 966283931 /nfs/dbraw/zinc/28/39/31/966283931.db2.gz ATHOOHSZULXXPA-LLVKDONJSA-N 2 2 246.379 2.743 20 0 BFADLP Cc1sc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236169098 966283946 /nfs/dbraw/zinc/28/39/46/966283946.db2.gz ATHOOHSZULXXPA-LLVKDONJSA-N 2 2 246.379 2.743 20 0 BFADLP Cc1cc[nH+]cc1NCC1CC[NH+](C(C)C)CC1 ZINC001166615713 966334681 /nfs/dbraw/zinc/33/46/81/966334681.db2.gz IOVWTFVJQBEZOU-UHFFFAOYSA-N 2 2 247.386 2.922 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)cc(C)cc1C ZINC001236866252 966599892 /nfs/dbraw/zinc/59/98/92/966599892.db2.gz XJXJNBHGVJYPSJ-AWEZNQCLSA-N 2 2 234.387 2.781 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)cc(C)cc1C ZINC001236866252 966599896 /nfs/dbraw/zinc/59/98/96/966599896.db2.gz XJXJNBHGVJYPSJ-AWEZNQCLSA-N 2 2 234.387 2.781 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(C(F)F)c1 ZINC001236865797 966603530 /nfs/dbraw/zinc/60/35/30/966603530.db2.gz PUIDAZYNLUEYHX-LBPRGKRZSA-N 2 2 242.313 2.793 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(C(F)F)c1 ZINC001236865797 966603536 /nfs/dbraw/zinc/60/35/36/966603536.db2.gz PUIDAZYNLUEYHX-LBPRGKRZSA-N 2 2 242.313 2.793 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C)c(Cl)c1 ZINC001236870894 966605864 /nfs/dbraw/zinc/60/58/64/966605864.db2.gz VDNVCJJZGCXHHQ-LBPRGKRZSA-N 2 2 240.778 2.818 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C)c(Cl)c1 ZINC001236870894 966605876 /nfs/dbraw/zinc/60/58/76/966605876.db2.gz VDNVCJJZGCXHHQ-LBPRGKRZSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1cccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001203893157 966811202 /nfs/dbraw/zinc/81/12/02/966811202.db2.gz YJOIRCBMASDQHU-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001203893157 966811203 /nfs/dbraw/zinc/81/12/03/966811203.db2.gz YJOIRCBMASDQHU-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001203893157 966811208 /nfs/dbraw/zinc/81/12/08/966811208.db2.gz YJOIRCBMASDQHU-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001203893157 966811211 /nfs/dbraw/zinc/81/12/11/966811211.db2.gz YJOIRCBMASDQHU-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP CC[N@H+](Cc1cccc(C)c1)C1CC[NH+](C)CC1 ZINC001203891666 966814038 /nfs/dbraw/zinc/81/40/38/966814038.db2.gz DVTGTDMUKAGPIZ-UHFFFAOYSA-N 2 2 246.398 2.911 20 0 BFADLP CC[N@@H+](Cc1cccc(C)c1)C1CC[NH+](C)CC1 ZINC001203891666 966814041 /nfs/dbraw/zinc/81/40/41/966814041.db2.gz DVTGTDMUKAGPIZ-UHFFFAOYSA-N 2 2 246.398 2.911 20 0 BFADLP CNc1cc(-c2ccc(C[NH+](C)C)cc2)cc[nH+]1 ZINC001204654553 967115237 /nfs/dbraw/zinc/11/52/37/967115237.db2.gz REMQUKRAZDCQJO-UHFFFAOYSA-N 2 2 241.338 2.852 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCC[C@H]1c1cccc(C)c1 ZINC001204849048 967202018 /nfs/dbraw/zinc/20/20/18/967202018.db2.gz XGIVFHGHHRBHMJ-HNNXBMFYSA-N 2 2 232.371 2.741 20 0 BFADLP CC[NH2+]CC[N@H+]1CCC[C@H]1c1cccc(C)c1 ZINC001204849048 967202022 /nfs/dbraw/zinc/20/20/22/967202022.db2.gz XGIVFHGHHRBHMJ-HNNXBMFYSA-N 2 2 232.371 2.741 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001204925079 967232135 /nfs/dbraw/zinc/23/21/35/967232135.db2.gz LSGOPCDHHMYLFI-MRXNPFEDSA-N 2 2 246.398 2.952 20 0 BFADLP CCCc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])cc1 ZINC001204925079 967232150 /nfs/dbraw/zinc/23/21/50/967232150.db2.gz LSGOPCDHHMYLFI-MRXNPFEDSA-N 2 2 246.398 2.952 20 0 BFADLP C[C@@H]1C[N@H+](CCC[NH2+]C2CCCCC2)C[C@@H]1F ZINC001205895746 967876899 /nfs/dbraw/zinc/87/68/99/967876899.db2.gz MWMLCAVMOJQFLE-OCCSQVGLSA-N 2 2 242.382 2.589 20 0 BFADLP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCCCC2)C[C@@H]1F ZINC001205895746 967876901 /nfs/dbraw/zinc/87/69/01/967876901.db2.gz MWMLCAVMOJQFLE-OCCSQVGLSA-N 2 2 242.382 2.589 20 0 BFADLP c1c2c(cc3[nH+]c(C4CC[NH2+]CC4)[nH]c13)CCC2 ZINC001250548634 968054227 /nfs/dbraw/zinc/05/42/27/968054227.db2.gz FQXLNGXXWWWAIF-UHFFFAOYSA-N 2 2 241.338 2.519 20 0 BFADLP Cc1cccc2c1C[N@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207274925 968705358 /nfs/dbraw/zinc/70/53/58/968705358.db2.gz HMDUMRNMSKMQJB-UHFFFAOYSA-N 2 2 246.398 2.898 20 0 BFADLP Cc1cccc2c1C[N@@H+](CC(C)(C)C[NH+](C)C)C2 ZINC001207274925 968705363 /nfs/dbraw/zinc/70/53/63/968705363.db2.gz HMDUMRNMSKMQJB-UHFFFAOYSA-N 2 2 246.398 2.898 20 0 BFADLP CC/C=C\CC[N@H+](CC)CCn1cc[nH+]c1 ZINC001208733062 969216227 /nfs/dbraw/zinc/21/62/27/969216227.db2.gz IKPRNTXZEUKYKL-WAYWQWQTSA-N 2 2 221.348 2.561 20 0 BFADLP CC/C=C\CC[N@@H+](CC)CCn1cc[nH+]c1 ZINC001208733062 969216239 /nfs/dbraw/zinc/21/62/39/969216239.db2.gz IKPRNTXZEUKYKL-WAYWQWQTSA-N 2 2 221.348 2.561 20 0 BFADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCCC13CC3)C2 ZINC001169148502 969466284 /nfs/dbraw/zinc/46/62/84/969466284.db2.gz ZPJSIJUPDGPLKS-WDNDVIMCSA-N 2 2 234.387 2.630 20 0 BFADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCCCC13CC3)C2 ZINC001169148502 969466296 /nfs/dbraw/zinc/46/62/96/969466296.db2.gz ZPJSIJUPDGPLKS-WDNDVIMCSA-N 2 2 234.387 2.630 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCCCC13CC3)C2 ZINC001169148502 969466303 /nfs/dbraw/zinc/46/63/03/969466303.db2.gz ZPJSIJUPDGPLKS-WDNDVIMCSA-N 2 2 234.387 2.630 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCCCC13CC3)C2 ZINC001169148502 969466313 /nfs/dbraw/zinc/46/63/13/969466313.db2.gz ZPJSIJUPDGPLKS-WDNDVIMCSA-N 2 2 234.387 2.630 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001169265104 969523333 /nfs/dbraw/zinc/52/33/33/969523333.db2.gz MUJQLLSFBKJIOY-MRXNPFEDSA-N 2 2 244.382 2.918 20 0 BFADLP CC[NH+]1CCC([N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC001169265104 969523338 /nfs/dbraw/zinc/52/33/38/969523338.db2.gz MUJQLLSFBKJIOY-MRXNPFEDSA-N 2 2 244.382 2.918 20 0 BFADLP CCC[C@@H]1CCCC[N@@H+]1Cc1c[nH+]ccc1N ZINC001209735626 969598441 /nfs/dbraw/zinc/59/84/41/969598441.db2.gz YTGXUWTUSKVMRX-CYBMUJFWSA-N 2 2 233.359 2.649 20 0 BFADLP CCC[C@@H]1CCCC[N@H+]1Cc1c[nH+]ccc1N ZINC001209735626 969598444 /nfs/dbraw/zinc/59/84/44/969598444.db2.gz YTGXUWTUSKVMRX-CYBMUJFWSA-N 2 2 233.359 2.649 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C12CCCCC2 ZINC001254846826 969803445 /nfs/dbraw/zinc/80/34/45/969803445.db2.gz WFTAHPOZNUAFKV-LSDHHAIUSA-N 2 2 248.414 2.783 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254844108 969804662 /nfs/dbraw/zinc/80/46/62/969804662.db2.gz HWYVRJHNQUFOHQ-ZIAGYGMSSA-N 2 2 236.403 2.639 20 0 BFADLP C1[C@@H]2CCCC[C@@H]2C[N@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851410 969805357 /nfs/dbraw/zinc/80/53/57/969805357.db2.gz AFOPIGDDGMFUGZ-XHSDSOJGSA-N 2 2 248.414 2.593 20 0 BFADLP C1[C@@H]2CCCC[C@@H]2C[N@@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851410 969805361 /nfs/dbraw/zinc/80/53/61/969805361.db2.gz AFOPIGDDGMFUGZ-XHSDSOJGSA-N 2 2 248.414 2.593 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254851227 969805939 /nfs/dbraw/zinc/80/59/39/969805939.db2.gz LWLREOHLZZRRDX-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C1CC2(CCCCC2)[N@@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254854617 969808707 /nfs/dbraw/zinc/80/87/07/969808707.db2.gz GIPDFZKHBJIRNY-OAHLLOKOSA-N 2 2 248.414 2.879 20 0 BFADLP C1CC2(CCCCC2)[N@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254854617 969808713 /nfs/dbraw/zinc/80/87/13/969808713.db2.gz GIPDFZKHBJIRNY-OAHLLOKOSA-N 2 2 248.414 2.879 20 0 BFADLP Cc1c[nH+]cc(NC(C)(C)CC[NH+](C)C)c1C ZINC001169718008 969832714 /nfs/dbraw/zinc/83/27/14/969832714.db2.gz IRIKNADMMSSWOM-UHFFFAOYSA-N 2 2 235.375 2.841 20 0 BFADLP CCCC[C@@H](C)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001255328682 970107289 /nfs/dbraw/zinc/10/72/89/970107289.db2.gz LPBFZZFYHWDTGA-CYBMUJFWSA-N 2 2 226.408 2.981 20 0 BFADLP CCCC[C@@H](C)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001255328682 970107294 /nfs/dbraw/zinc/10/72/94/970107294.db2.gz LPBFZZFYHWDTGA-CYBMUJFWSA-N 2 2 226.408 2.981 20 0 BFADLP Cc1c[nH+]cc(Nc2cc[nH+]c3c2CCC3)c1C ZINC001213524689 970350382 /nfs/dbraw/zinc/35/03/82/970350382.db2.gz DIKHKNMHTSTTIF-UHFFFAOYSA-N 2 2 239.322 2.748 20 0 BFADLP C[NH2+]CC[N@H+](C)CC[C@@H](C)CCC=C(C)C ZINC000400850749 970635928 /nfs/dbraw/zinc/63/59/28/970635928.db2.gz WXWLCGCTGSMKIN-AWEZNQCLSA-N 2 2 226.408 2.910 20 0 BFADLP C[NH2+]CC[N@@H+](C)CC[C@@H](C)CCC=C(C)C ZINC000400850749 970635942 /nfs/dbraw/zinc/63/59/42/970635942.db2.gz WXWLCGCTGSMKIN-AWEZNQCLSA-N 2 2 226.408 2.910 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256080515 970650147 /nfs/dbraw/zinc/65/01/47/970650147.db2.gz YFKHRBLNASBWCP-CYBMUJFWSA-N 2 2 236.403 2.878 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256080515 970650154 /nfs/dbraw/zinc/65/01/54/970650154.db2.gz YFKHRBLNASBWCP-CYBMUJFWSA-N 2 2 236.403 2.878 20 0 BFADLP C1CC1[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001256079857 970651590 /nfs/dbraw/zinc/65/15/90/970651590.db2.gz PHKUSSCNOBWPKM-CZUORRHYSA-N 2 2 248.414 2.878 20 0 BFADLP C1CC1[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001256079857 970651600 /nfs/dbraw/zinc/65/16/00/970651600.db2.gz PHKUSSCNOBWPKM-CZUORRHYSA-N 2 2 248.414 2.878 20 0 BFADLP CCC[N@H+]([C@H](C)CC)C1CC[NH+](C)CC1 ZINC001256202010 970698118 /nfs/dbraw/zinc/69/81/18/970698118.db2.gz RLBNTOKAAJRHQM-GFCCVEGCSA-N 2 2 212.381 2.591 20 0 BFADLP CCC[N@@H+]([C@H](C)CC)C1CC[NH+](C)CC1 ZINC001256202010 970698124 /nfs/dbraw/zinc/69/81/24/970698124.db2.gz RLBNTOKAAJRHQM-GFCCVEGCSA-N 2 2 212.381 2.591 20 0 BFADLP CC[C@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000182629274 970727411 /nfs/dbraw/zinc/72/74/11/970727411.db2.gz YKJKTMDMUAXGCX-ZDUSSCGKSA-N 2 2 247.386 2.649 20 0 BFADLP Cc1cc(CO[C@H]2CCC[N@@H+](C)CC2)cc(C)[nH+]1 ZINC001223420564 973055778 /nfs/dbraw/zinc/05/57/78/973055778.db2.gz KPXIGCGWVLBASD-HNNXBMFYSA-N 2 2 248.370 2.699 20 0 BFADLP Cc1cc(CO[C@H]2CCC[N@H+](C)CC2)cc(C)[nH+]1 ZINC001223420564 973055790 /nfs/dbraw/zinc/05/57/90/973055790.db2.gz KPXIGCGWVLBASD-HNNXBMFYSA-N 2 2 248.370 2.699 20 0 BFADLP Cc1c(F)cc[nH+]c1NCc1ccccc1C[NH3+] ZINC001160907523 973113843 /nfs/dbraw/zinc/11/38/43/973113843.db2.gz UXBHAIRXYZJHIX-UHFFFAOYSA-N 2 2 245.301 2.600 20 0 BFADLP CC(C)CC(CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246836971 973136377 /nfs/dbraw/zinc/13/63/77/973136377.db2.gz OISMXVZZBQSSEL-UONOGXRCSA-N 2 2 244.398 2.818 20 0 BFADLP CC(C)CC(CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246836971 973136397 /nfs/dbraw/zinc/13/63/97/973136397.db2.gz OISMXVZZBQSSEL-UONOGXRCSA-N 2 2 244.398 2.818 20 0 BFADLP CC[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246866330 973197418 /nfs/dbraw/zinc/19/74/18/973197418.db2.gz JGJUAVCVZVZYCA-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246866330 973197429 /nfs/dbraw/zinc/19/74/29/973197429.db2.gz JGJUAVCVZVZYCA-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CCC[NH2+]C1 ZINC001246866326 973199160 /nfs/dbraw/zinc/19/91/60/973199160.db2.gz JGJUAVCVZVZYCA-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCC[NH2+]C1 ZINC001246866326 973199178 /nfs/dbraw/zinc/19/91/78/973199178.db2.gz JGJUAVCVZVZYCA-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+](CCF)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171644651 974140183 /nfs/dbraw/zinc/14/01/83/974140183.db2.gz IMOMKLQDOHNHAT-UHFFFAOYSA-N 2 2 230.371 2.539 20 0 BFADLP C[N@@H+](CCF)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171644651 974140195 /nfs/dbraw/zinc/14/01/95/974140195.db2.gz IMOMKLQDOHNHAT-UHFFFAOYSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001172404453 974657134 /nfs/dbraw/zinc/65/71/34/974657134.db2.gz XWBLLANOKXWTEB-KFWWJZLASA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001172404453 974657137 /nfs/dbraw/zinc/65/71/37/974657137.db2.gz XWBLLANOKXWTEB-KFWWJZLASA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001172404453 974657141 /nfs/dbraw/zinc/65/71/41/974657141.db2.gz XWBLLANOKXWTEB-KFWWJZLASA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 ZINC001172388748 974733916 /nfs/dbraw/zinc/73/39/16/974733916.db2.gz HSMOOZCVWGFVJI-KBPBESRZSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 ZINC001172388748 974733919 /nfs/dbraw/zinc/73/39/19/974733919.db2.gz HSMOOZCVWGFVJI-KBPBESRZSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](C(C)C)C1 ZINC001172388749 974734728 /nfs/dbraw/zinc/73/47/28/974734728.db2.gz HSMOOZCVWGFVJI-KGLIPLIRSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](C(C)C)C1 ZINC001172388749 974734738 /nfs/dbraw/zinc/73/47/38/974734738.db2.gz HSMOOZCVWGFVJI-KGLIPLIRSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@@H]1CC[C@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001173271159 975144694 /nfs/dbraw/zinc/14/46/94/975144694.db2.gz BPIAMLYIXWFSJR-OCCSQVGLSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001173271159 975144699 /nfs/dbraw/zinc/14/46/99/975144699.db2.gz BPIAMLYIXWFSJR-OCCSQVGLSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001173273319 975152840 /nfs/dbraw/zinc/15/28/40/975152840.db2.gz NHYKVZZROCFQNK-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001173273319 975152848 /nfs/dbraw/zinc/15/28/48/975152848.db2.gz NHYKVZZROCFQNK-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H]([N@H+](CC)C2CC[NH+](C)CC2)C1 ZINC001173276723 975226873 /nfs/dbraw/zinc/22/68/73/975226873.db2.gz DLAJRNPPRFCZPR-UKRRQHHQSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CC[C@H]([N@H+](CC)C2CC[NH+](C)CC2)C1 ZINC001173276725 975228247 /nfs/dbraw/zinc/22/82/47/975228247.db2.gz DLAJRNPPRFCZPR-ZFWWWQNUSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CC[C@H]([N@@H+](CC)C2CC[NH+](C)CC2)C1 ZINC001173276725 975228251 /nfs/dbraw/zinc/22/82/51/975228251.db2.gz DLAJRNPPRFCZPR-ZFWWWQNUSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@@H]1CC[C@@H](n2c(C)[nH+]c3c2CC[NH2+]CC3)C1 ZINC001173280025 975233600 /nfs/dbraw/zinc/23/36/00/975233600.db2.gz KKAJPZTVSPCRSE-CHWSQXEVSA-N 2 2 247.386 2.631 20 0 BFADLP Cc1ccc(Nc2cc[nH+]cc2C)c(C)[nH+]1 ZINC001174535831 976812061 /nfs/dbraw/zinc/81/20/61/976812061.db2.gz AUFRMANRXZHVIX-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP Cc1cn2c(cccc2Nc2cc[nH+]c(C)c2)[nH+]1 ZINC001174651456 976935621 /nfs/dbraw/zinc/93/56/21/976935621.db2.gz JOQSPFWECSIBIQ-UHFFFAOYSA-N 2 2 238.294 2.512 20 0 BFADLP Cc1cc(Nc2c[nH+]c(C)cc2C)cc[nH+]1 ZINC001174653205 976940518 /nfs/dbraw/zinc/94/05/18/976940518.db2.gz CRGZRPSYOUCWJZ-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP CCc1ccc[nH+]c1Nc1ccc(C[NH3+])cc1 ZINC001175966342 977835790 /nfs/dbraw/zinc/83/57/90/977835790.db2.gz LPJPAGCULIBCSQ-UHFFFAOYSA-N 2 2 227.311 2.846 20 0 BFADLP C(CC1CCCCC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039060 978957375 /nfs/dbraw/zinc/95/73/75/978957375.db2.gz SQAWZSPVKKESGV-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039060 978957380 /nfs/dbraw/zinc/95/73/80/978957380.db2.gz SQAWZSPVKKESGV-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCCC1)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235077865 978972160 /nfs/dbraw/zinc/97/21/60/978972160.db2.gz SQAWZSPVKKESGV-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCCC1)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235077865 978972164 /nfs/dbraw/zinc/97/21/64/978972164.db2.gz SQAWZSPVKKESGV-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H](CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]21)CC(C)(C)C ZINC001235235038 979004627 /nfs/dbraw/zinc/00/46/27/979004627.db2.gz DUYWOYUTQPUKSD-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]21)CC(C)(C)C ZINC001235235038 979004632 /nfs/dbraw/zinc/00/46/32/979004632.db2.gz DUYWOYUTQPUKSD-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235261698 979015456 /nfs/dbraw/zinc/01/54/56/979015456.db2.gz PLXPCAUFQYCCSU-JKSUJKDBSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235261698 979015462 /nfs/dbraw/zinc/01/54/62/979015462.db2.gz PLXPCAUFQYCCSU-JKSUJKDBSA-N 2 2 244.382 2.604 20 0 BFADLP CCc1cccc(C)c1C[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235345876 979032341 /nfs/dbraw/zinc/03/23/41/979032341.db2.gz CMVYJVFXSFANND-OAHLLOKOSA-N 2 2 246.398 2.741 20 0 BFADLP CCc1cccc(C)c1C[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235345876 979032343 /nfs/dbraw/zinc/03/23/43/979032343.db2.gz CMVYJVFXSFANND-OAHLLOKOSA-N 2 2 246.398 2.741 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC001235678813 979119205 /nfs/dbraw/zinc/11/92/05/979119205.db2.gz GCFCFFHLZBMMSU-OAHLLOKOSA-N 2 2 232.371 2.741 20 0 BFADLP CC[NH2+]CC[N@H+]1CCC[C@@H]1c1ccc(C)cc1 ZINC001235678813 979119210 /nfs/dbraw/zinc/11/92/10/979119210.db2.gz GCFCFFHLZBMMSU-OAHLLOKOSA-N 2 2 232.371 2.741 20 0 BFADLP COc1cccc([C@@H]2CCCC[N@@H+]2C[C@@H](C)[NH3+])c1 ZINC001235725158 979135741 /nfs/dbraw/zinc/13/57/41/979135741.db2.gz IAZYNDOUNMVZIV-DOMZBBRYSA-N 2 2 248.370 2.569 20 0 BFADLP COc1cccc([C@@H]2CCCC[N@H+]2C[C@@H](C)[NH3+])c1 ZINC001235725158 979135756 /nfs/dbraw/zinc/13/57/56/979135756.db2.gz IAZYNDOUNMVZIV-DOMZBBRYSA-N 2 2 248.370 2.569 20 0 BFADLP COc1cccc([C@@H]2CCCC[N@@H+]2C[C@H](C)[NH3+])c1 ZINC001235725163 979137372 /nfs/dbraw/zinc/13/73/72/979137372.db2.gz IAZYNDOUNMVZIV-WFASDCNBSA-N 2 2 248.370 2.569 20 0 BFADLP COc1cccc([C@@H]2CCCC[N@H+]2C[C@H](C)[NH3+])c1 ZINC001235725163 979137378 /nfs/dbraw/zinc/13/73/78/979137378.db2.gz IAZYNDOUNMVZIV-WFASDCNBSA-N 2 2 248.370 2.569 20 0 BFADLP Cc1cc(Cl)cc(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC001235947247 979219382 /nfs/dbraw/zinc/21/93/82/979219382.db2.gz GZSCGFPIHQVJKJ-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1cc(Cl)cc(C[N@H+](CC[NH3+])C(C)C)c1 ZINC001235947247 979219395 /nfs/dbraw/zinc/21/93/95/979219395.db2.gz GZSCGFPIHQVJKJ-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP CCCc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1 ZINC001235946898 979221282 /nfs/dbraw/zinc/22/12/82/979221282.db2.gz BQWZIVMXDBOTSF-UHFFFAOYSA-N 2 2 234.387 2.808 20 0 BFADLP CCCc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1 ZINC001235946898 979221305 /nfs/dbraw/zinc/22/13/05/979221305.db2.gz BQWZIVMXDBOTSF-UHFFFAOYSA-N 2 2 234.387 2.808 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235993260 979286361 /nfs/dbraw/zinc/28/63/61/979286361.db2.gz QXRZUVOCQYVONX-HZPDHXFCSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235993260 979286374 /nfs/dbraw/zinc/28/63/74/979286374.db2.gz QXRZUVOCQYVONX-HZPDHXFCSA-N 2 2 244.382 2.733 20 0 BFADLP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC001236059359 979346982 /nfs/dbraw/zinc/34/69/82/979346982.db2.gz GAQIRTYIMGIQOQ-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC001236059359 979346990 /nfs/dbraw/zinc/34/69/90/979346990.db2.gz GAQIRTYIMGIQOQ-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP CCCC1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC001341424221 979393454 /nfs/dbraw/zinc/39/34/54/979393454.db2.gz JWKZFKSJQNJHHY-UHFFFAOYSA-N 2 2 235.375 2.704 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c2ccccc12 ZINC001236168495 979422078 /nfs/dbraw/zinc/42/20/78/979422078.db2.gz JQRDXPSRWZIIFY-CQSZACIVSA-N 2 2 240.350 2.681 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)c2ccccc12 ZINC001236168495 979422085 /nfs/dbraw/zinc/42/20/85/979422085.db2.gz JQRDXPSRWZIIFY-CQSZACIVSA-N 2 2 240.350 2.681 20 0 BFADLP CC[C@@H]([NH3+])C[N@H+](CC)Cc1cccc(Cl)c1 ZINC001236195500 979446764 /nfs/dbraw/zinc/44/67/64/979446764.db2.gz UDYWNYCICGPZCA-CYBMUJFWSA-N 2 2 240.778 2.899 20 0 BFADLP CC[C@@H]([NH3+])C[N@@H+](CC)Cc1cccc(Cl)c1 ZINC001236195500 979446768 /nfs/dbraw/zinc/44/67/68/979446768.db2.gz UDYWNYCICGPZCA-CYBMUJFWSA-N 2 2 240.778 2.899 20 0 BFADLP CCc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236201785 979449159 /nfs/dbraw/zinc/44/91/59/979449159.db2.gz MZZJUAADYICUNO-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236201785 979449170 /nfs/dbraw/zinc/44/91/70/979449170.db2.gz MZZJUAADYICUNO-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1C ZINC001236203181 979449993 /nfs/dbraw/zinc/44/99/93/979449993.db2.gz WDROBESNPAAZRZ-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1C ZINC001236203181 979449999 /nfs/dbraw/zinc/44/99/99/979449999.db2.gz WDROBESNPAAZRZ-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccccc1C[N@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236235418 979457555 /nfs/dbraw/zinc/45/75/55/979457555.db2.gz ANRXJELFBYRPMT-INIZCTEOSA-N 2 2 244.382 2.711 20 0 BFADLP Cc1ccccc1C[N@@H+](C1CC1)[C@H]1CCC[NH2+]C1 ZINC001236235418 979457560 /nfs/dbraw/zinc/45/75/60/979457560.db2.gz ANRXJELFBYRPMT-INIZCTEOSA-N 2 2 244.382 2.711 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236421659 979591085 /nfs/dbraw/zinc/59/10/85/979591085.db2.gz RQXFXVIRYXPWFZ-XJKSGUPXSA-N 2 2 246.398 2.951 20 0 BFADLP CCCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC001236421659 979591097 /nfs/dbraw/zinc/59/10/97/979591097.db2.gz RQXFXVIRYXPWFZ-XJKSGUPXSA-N 2 2 246.398 2.951 20 0 BFADLP C/C(=C\C=C\[NH3+])c1cccc(C[NH+](C)C)c1 ZINC001236418438 979592744 /nfs/dbraw/zinc/59/27/44/979592744.db2.gz AZOLVFBWEDAENK-BGNLXQKFSA-N 2 2 216.328 2.624 20 0 BFADLP CC[NH2+]CC[N@H+](Cc1ccccc1)C1CCC1 ZINC001236439682 979600509 /nfs/dbraw/zinc/60/05/09/979600509.db2.gz ANHACIFCDNITIL-UHFFFAOYSA-N 2 2 232.371 2.651 20 0 BFADLP CC[NH2+]CC[N@@H+](Cc1ccccc1)C1CCC1 ZINC001236439682 979600516 /nfs/dbraw/zinc/60/05/16/979600516.db2.gz ANHACIFCDNITIL-UHFFFAOYSA-N 2 2 232.371 2.651 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C2CC2)cc1 ZINC001236884304 979778719 /nfs/dbraw/zinc/77/87/19/979778719.db2.gz OCHMPZSOKWGNHQ-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C2CC2)cc1 ZINC001236884304 979778729 /nfs/dbraw/zinc/77/87/29/979778729.db2.gz OCHMPZSOKWGNHQ-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP C[NH2+]CC[N@@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236951208 979795642 /nfs/dbraw/zinc/79/56/42/979795642.db2.gz WBZLHFWDHMYQPT-MRXNPFEDSA-N 2 2 246.398 2.551 20 0 BFADLP C[NH2+]CC[N@H+]1CCC[C@H](CCc2ccccc2)C1 ZINC001236951208 979795661 /nfs/dbraw/zinc/79/56/61/979795661.db2.gz WBZLHFWDHMYQPT-MRXNPFEDSA-N 2 2 246.398 2.551 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001184205830 979972894 /nfs/dbraw/zinc/97/28/94/979972894.db2.gz DAKSBLPNPXXIHF-AJNGGQMLSA-N 2 2 238.419 2.741 20 0 BFADLP c1cn2cc(-c3cccc4c3C[NH2+]CC4)ccc2[nH+]1 ZINC001240218364 981171832 /nfs/dbraw/zinc/17/18/32/981171832.db2.gz LPEQLQBVXFOIFD-UHFFFAOYSA-N 2 2 249.317 2.647 20 0 BFADLP C[NH2+]Cc1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001240512109 981436664 /nfs/dbraw/zinc/43/66/64/981436664.db2.gz PCAXELDZBSKROB-UHFFFAOYSA-N 2 2 237.306 2.721 20 0 BFADLP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@H]1CCCC[N@@H+]1C1CC1 ZINC001205667901 981829794 /nfs/dbraw/zinc/82/97/94/981829794.db2.gz RCOAIYIGXISTPK-UKMLZYKCSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@H]1CCCC[N@H+]1C1CC1 ZINC001205667901 981829797 /nfs/dbraw/zinc/82/97/97/981829797.db2.gz RCOAIYIGXISTPK-UKMLZYKCSA-N 2 2 248.414 2.782 20 0 BFADLP Fc1cccc([C@H]2CC[N@@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001350358165 981937444 /nfs/dbraw/zinc/93/74/44/981937444.db2.gz KEJIEBDWQUPPFB-IUODEOHRSA-N 2 2 248.345 2.572 20 0 BFADLP Fc1cccc([C@H]2CC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC001350358165 981937449 /nfs/dbraw/zinc/93/74/49/981937449.db2.gz KEJIEBDWQUPPFB-IUODEOHRSA-N 2 2 248.345 2.572 20 0 BFADLP c1cn(CCC[NH2+]C2CCC3(CCC3)CC2)c[nH+]1 ZINC001198969629 982877091 /nfs/dbraw/zinc/87/70/91/982877091.db2.gz RFVGAJRWSCXVRY-UHFFFAOYSA-N 2 2 247.386 2.976 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]21 ZINC001201401629 983201283 /nfs/dbraw/zinc/20/12/83/983201283.db2.gz NUKKAUHVOZSHRG-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCCCC3)C[C@@H]21 ZINC001201401629 983201293 /nfs/dbraw/zinc/20/12/93/983201293.db2.gz NUKKAUHVOZSHRG-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCCCC3)C[C@@H]21 ZINC001201401629 983201300 /nfs/dbraw/zinc/20/13/00/983201300.db2.gz NUKKAUHVOZSHRG-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCCCC3)C[C@@H]21 ZINC001201401629 983201306 /nfs/dbraw/zinc/20/13/06/983201306.db2.gz NUKKAUHVOZSHRG-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC3CCCCC3)C[C@H]21 ZINC001201401631 983202846 /nfs/dbraw/zinc/20/28/46/983202846.db2.gz NUKKAUHVOZSHRG-HUUCEWRRSA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCCCC3)C[C@H]21 ZINC001201401631 983202860 /nfs/dbraw/zinc/20/28/60/983202860.db2.gz NUKKAUHVOZSHRG-HUUCEWRRSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001201401631 983202872 /nfs/dbraw/zinc/20/28/72/983202872.db2.gz NUKKAUHVOZSHRG-HUUCEWRRSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001201401631 983202875 /nfs/dbraw/zinc/20/28/75/983202875.db2.gz NUKKAUHVOZSHRG-HUUCEWRRSA-N 2 2 236.403 2.593 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+](CC1CCCCC1)C2 ZINC001201388931 983209919 /nfs/dbraw/zinc/20/99/19/983209919.db2.gz GBHUUVBYBLVSOJ-UHFFFAOYSA-N 2 2 233.359 2.587 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+](CC1CCCCC1)C2 ZINC001201388931 983209926 /nfs/dbraw/zinc/20/99/26/983209926.db2.gz GBHUUVBYBLVSOJ-UHFFFAOYSA-N 2 2 233.359 2.587 20 0 BFADLP Cc1cc2[nH+]ccn2cc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242024532 983236319 /nfs/dbraw/zinc/23/63/19/983236319.db2.gz YQQFEFZCVKQSSH-OLZOCXBDSA-N 2 2 239.322 2.550 20 0 BFADLP Cc1cc[nH+]c(C)c1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242027026 983240207 /nfs/dbraw/zinc/24/02/07/983240207.db2.gz XJNOZOXPHFYPCB-OLZOCXBDSA-N 2 2 214.312 2.606 20 0 BFADLP Cc1[nH+]cn(-c2ccc([NH2+]C(C)C)cc2)c1N ZINC001201492250 983263914 /nfs/dbraw/zinc/26/39/14/983263914.db2.gz YGUQEIGSCZXBBQ-UHFFFAOYSA-N 2 2 230.315 2.583 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201521279 983317046 /nfs/dbraw/zinc/31/70/46/983317046.db2.gz RVEVPTDOTKZTOJ-JSGCOSHPSA-N 2 2 248.370 2.889 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201521279 983317050 /nfs/dbraw/zinc/31/70/50/983317050.db2.gz RVEVPTDOTKZTOJ-JSGCOSHPSA-N 2 2 248.370 2.889 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201521277 983318823 /nfs/dbraw/zinc/31/88/23/983318823.db2.gz RVEVPTDOTKZTOJ-GXTWGEPZSA-N 2 2 248.370 2.889 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201521277 983318829 /nfs/dbraw/zinc/31/88/29/983318829.db2.gz RVEVPTDOTKZTOJ-GXTWGEPZSA-N 2 2 248.370 2.889 20 0 BFADLP CCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201723250 983428664 /nfs/dbraw/zinc/42/86/64/983428664.db2.gz UETVPPWYGKMRDA-CYBMUJFWSA-N 2 2 234.343 2.643 20 0 BFADLP CCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201723250 983428680 /nfs/dbraw/zinc/42/86/80/983428680.db2.gz UETVPPWYGKMRDA-CYBMUJFWSA-N 2 2 234.343 2.643 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)cs1 ZINC001137159706 984007305 /nfs/dbraw/zinc/00/73/05/984007305.db2.gz JSVMQLVQZMPFIJ-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)cs1 ZINC001137159706 984007314 /nfs/dbraw/zinc/00/73/14/984007314.db2.gz JSVMQLVQZMPFIJ-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP Nc1[nH+]cccc1C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242693535 984050543 /nfs/dbraw/zinc/05/05/43/984050543.db2.gz IJQQGTJLNNBGNO-ZDUSSCGKSA-N 2 2 243.354 2.696 20 0 BFADLP Nc1[nH+]cccc1C1=CC[C@@H]([NH+]2CCCC2)CC1 ZINC001242693533 984052013 /nfs/dbraw/zinc/05/20/13/984052013.db2.gz IJQQGTJLNNBGNO-CYBMUJFWSA-N 2 2 243.354 2.696 20 0 BFADLP C[NH2+]Cc1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001242996613 984361964 /nfs/dbraw/zinc/36/19/64/984361964.db2.gz LAZIZZACHSRMEP-UHFFFAOYSA-N 2 2 237.306 2.721 20 0 BFADLP CC[C@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257431184 985002491 /nfs/dbraw/zinc/00/24/91/985002491.db2.gz XQDKPDLZBSOSKK-ZDUSSCGKSA-N 2 2 247.386 2.686 20 0 BFADLP Nc1[nH+]cccc1-c1ccc(C[NH+]2CCC2)cc1 ZINC001243473052 985016028 /nfs/dbraw/zinc/01/60/28/985016028.db2.gz FBRZDSWGANLTNR-UHFFFAOYSA-N 2 2 239.322 2.537 20 0 BFADLP Nc1[nH+]cccc1-c1cccc(C2([NH3+])CCC2)c1 ZINC001243476840 985033282 /nfs/dbraw/zinc/03/32/82/985033282.db2.gz FLMZUIWPKHXWJU-UHFFFAOYSA-N 2 2 239.322 2.669 20 0 BFADLP Nc1[nH+]cccc1-c1ccc(C2([NH3+])CCC2)cc1 ZINC001243476604 985036533 /nfs/dbraw/zinc/03/65/33/985036533.db2.gz UFGDHDNGCCXYRQ-UHFFFAOYSA-N 2 2 239.322 2.669 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C)c1C ZINC000048242002 985346966 /nfs/dbraw/zinc/34/69/66/985346966.db2.gz HZLOICRRUVYCQB-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(C)c1C ZINC000048242002 985346975 /nfs/dbraw/zinc/34/69/75/985346975.db2.gz HZLOICRRUVYCQB-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP c1cn(Cc2ccccc2C2=C[NH2+]CCC2)c[nH+]1 ZINC001243949407 985638786 /nfs/dbraw/zinc/63/87/86/985638786.db2.gz FLWJYRQGOBFTFI-UHFFFAOYSA-N 2 2 239.322 2.656 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1)C(C)(C)C ZINC001460335988 985831137 /nfs/dbraw/zinc/83/11/37/985831137.db2.gz RATVTHSFYZKWDK-MELADBBJSA-N 2 2 240.435 2.989 20 0 BFADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](C)[NH3+])o1 ZINC001579678276 986175938 /nfs/dbraw/zinc/17/59/38/986175938.db2.gz KCLICIUOGUTIKR-GVXVVHGQSA-N 2 2 236.359 2.708 20 0 BFADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](C)[NH3+])o1 ZINC001579678276 986175960 /nfs/dbraw/zinc/17/59/60/986175960.db2.gz KCLICIUOGUTIKR-GVXVVHGQSA-N 2 2 236.359 2.708 20 0 BFADLP CNc1cc(-c2cccc(C3([NH3+])CC3)c2)cc[nH+]1 ZINC001244977841 986568633 /nfs/dbraw/zinc/56/86/33/986568633.db2.gz YYYLSHUCWSCOBZ-UHFFFAOYSA-N 2 2 239.322 2.738 20 0 BFADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCC4(CC4)CC3)C[C@@H]21 ZINC001254449852 986646399 /nfs/dbraw/zinc/64/63/99/986646399.db2.gz XKRASPLHLNQFGY-ZFWWWQNUSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCC4(CC4)CC3)C[C@@H]21 ZINC001254449852 986646403 /nfs/dbraw/zinc/64/64/03/986646403.db2.gz XKRASPLHLNQFGY-ZFWWWQNUSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCC4(CC4)CC3)C[C@@H]21 ZINC001254449852 986646407 /nfs/dbraw/zinc/64/64/07/986646407.db2.gz XKRASPLHLNQFGY-ZFWWWQNUSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCC4(CC4)CC3)C[C@@H]21 ZINC001254449852 986646411 /nfs/dbraw/zinc/64/64/11/986646411.db2.gz XKRASPLHLNQFGY-ZFWWWQNUSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCCCCC3)C[C@@H]21 ZINC001255894031 987077837 /nfs/dbraw/zinc/07/78/37/987077837.db2.gz QZGIPACVGSEAOC-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCCCCC3)C[C@@H]21 ZINC001255894031 987077849 /nfs/dbraw/zinc/07/78/49/987077849.db2.gz QZGIPACVGSEAOC-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCCCCC3)C[C@@H]21 ZINC001255894031 987077859 /nfs/dbraw/zinc/07/78/59/987077859.db2.gz QZGIPACVGSEAOC-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCCCCC3)C[C@@H]21 ZINC001255894031 987077868 /nfs/dbraw/zinc/07/78/68/987077868.db2.gz QZGIPACVGSEAOC-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246076749 987368519 /nfs/dbraw/zinc/36/85/19/987368519.db2.gz PKLUIDNNBBIQGC-ZIAGYGMSSA-N 2 2 220.360 2.855 20 0 BFADLP CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246088487 987388925 /nfs/dbraw/zinc/38/89/25/987388925.db2.gz UWKRDUMSPMZXKR-RWMBFGLXSA-N 2 2 230.371 2.635 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246109177 987440964 /nfs/dbraw/zinc/44/09/64/987440964.db2.gz KMXFIFRXZOLYAA-SYQHCUMBSA-N 2 2 244.398 2.737 20 0 BFADLP CCC(CC)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246143320 987497751 /nfs/dbraw/zinc/49/77/51/987497751.db2.gz QLWWTYUJOMVYDZ-CABCVRRESA-N 2 2 232.371 2.868 20 0 BFADLP CCCCC[C@H](CCC)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246218605 987618187 /nfs/dbraw/zinc/61/81/87/987618187.db2.gz BYLKMJGCAKXQPQ-CBBWQLFWSA-N 2 2 238.419 2.933 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1ccc(C)cc1 ZINC001246236899 987636399 /nfs/dbraw/zinc/63/63/99/987636399.db2.gz ZOSABSULVVLJSZ-QEJZJMRPSA-N 2 2 232.371 2.786 20 0 BFADLP C=Cc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC001246235851 987636407 /nfs/dbraw/zinc/63/64/07/987636407.db2.gz MFFLWXCVKADYKH-HNNXBMFYSA-N 2 2 230.355 2.561 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1ccccc1 ZINC001246240093 987639395 /nfs/dbraw/zinc/63/93/95/987639395.db2.gz LHFLYCGOGPHLIQ-YUELXQCFSA-N 2 2 232.371 2.868 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246262737 987659685 /nfs/dbraw/zinc/65/96/85/987659685.db2.gz UBSRZGWYHZOJSO-CQSZACIVSA-N 2 2 232.371 2.535 20 0 BFADLP c1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001246284233 987678128 /nfs/dbraw/zinc/67/81/28/987678128.db2.gz CICLKNKSLWZZBT-HZPDHXFCSA-N 2 2 244.382 2.869 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246294702 987687221 /nfs/dbraw/zinc/68/72/21/987687221.db2.gz HMOFAXHAFUXQBA-GUTXKFCHSA-N 2 2 232.371 2.704 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C[NH2+]1 ZINC001246313773 987716445 /nfs/dbraw/zinc/71/64/45/987716445.db2.gz LCTFNDAVZOUGMG-VZJVUDMVSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])c2ccccc2)C1 ZINC001246315676 987721066 /nfs/dbraw/zinc/72/10/66/987721066.db2.gz KCQRLZXZDSHISG-CFVMTHIKSA-N 2 2 232.371 2.855 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC001246318280 987724276 /nfs/dbraw/zinc/72/42/76/987724276.db2.gz RYYRSIDFKYENLO-UONOGXRCSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C[NH2+]1 ZINC001246318030 987725562 /nfs/dbraw/zinc/72/55/62/987725562.db2.gz OTOKSIMOYIZZNV-XEGUGMAKSA-N 2 2 248.345 2.543 20 0 BFADLP CCCCC[C@H](CC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246337990 987744574 /nfs/dbraw/zinc/74/45/74/987744574.db2.gz VYNPHFAELBUBHK-QWHCGFSZSA-N 2 2 244.448 2.640 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+][C@@H](C)C2)cc1 ZINC001246369657 987771687 /nfs/dbraw/zinc/77/16/87/987771687.db2.gz CHXFRDPPPBRBLH-YWPYICTPSA-N 2 2 232.371 2.650 20 0 BFADLP Fc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC001246372879 987774654 /nfs/dbraw/zinc/77/46/54/987774654.db2.gz OKJYYBFNWAAFGD-XHDPSFHLSA-N 2 2 248.345 2.545 20 0 BFADLP Fc1cccc2c1CCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC001246372878 987775935 /nfs/dbraw/zinc/77/59/35/987775935.db2.gz OKJYYBFNWAAFGD-NHYWBVRUSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+][C@H]2C[NH2+][C@H](C)C2)c1 ZINC001246389626 987780784 /nfs/dbraw/zinc/78/07/84/987780784.db2.gz OGEGZRPDHZPFOY-TZMCWYRMSA-N 2 2 232.371 2.570 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C[NH2+]1 ZINC001246405970 987787085 /nfs/dbraw/zinc/78/70/85/987787085.db2.gz NRZODJOACQLKNG-KCXAZCMYSA-N 2 2 244.382 2.868 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H](CC2CC2)c2ccccc2)C[NH2+]1 ZINC001246405972 987788537 /nfs/dbraw/zinc/78/85/37/987788537.db2.gz NRZODJOACQLKNG-UHOFOFEASA-N 2 2 244.382 2.868 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)CCC2 ZINC001246498903 987852053 /nfs/dbraw/zinc/85/20/53/987852053.db2.gz KQJIDBATTRVFRP-DUVNUKRYSA-N 2 2 244.382 2.712 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1cccnc1 ZINC001246506859 987859162 /nfs/dbraw/zinc/85/91/62/987859162.db2.gz XJUIEENTPZOCDK-CFVMTHIKSA-N 2 2 247.386 2.509 20 0 BFADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H](C[NH3+])c3ccccc3)C[C@@H]21 ZINC001246505491 987860338 /nfs/dbraw/zinc/86/03/38/987860338.db2.gz CHWJPKSSGSITTJ-APIJFGDWSA-N 2 2 244.382 2.711 20 0 BFADLP C[C@H](Cc1ccco1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508697 987861243 /nfs/dbraw/zinc/86/12/43/987861243.db2.gz XKBLYOAJOSMWHX-IUODEOHRSA-N 2 2 244.338 2.500 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccncc1 ZINC001246514147 987866088 /nfs/dbraw/zinc/86/60/88/987866088.db2.gz HMKJGNQQFMOKJH-BPLDGKMQSA-N 2 2 247.386 2.509 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccccc3[C@@H]2C)C[NH2+]1 ZINC001246544884 987918519 /nfs/dbraw/zinc/91/85/19/987918519.db2.gz DAYGAUYLLIVDMG-VNHYZAJKSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+]2CCc3ccccc3[C@@H]2C)C[NH2+]1 ZINC001246544884 987918534 /nfs/dbraw/zinc/91/85/34/987918534.db2.gz DAYGAUYLLIVDMG-VNHYZAJKSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3[C@@H](C)C2)C[NH2+]1 ZINC001246547671 987926634 /nfs/dbraw/zinc/92/66/34/987926634.db2.gz LZIVTDCYZCXGKN-GZBFAFLISA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)C[NH2+]1 ZINC001246547671 987926648 /nfs/dbraw/zinc/92/66/48/987926648.db2.gz LZIVTDCYZCXGKN-GZBFAFLISA-N 2 2 244.382 2.746 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001246568686 988039064 /nfs/dbraw/zinc/03/90/64/988039064.db2.gz AMDTWWADBJFCOH-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001246568686 988039075 /nfs/dbraw/zinc/03/90/75/988039075.db2.gz AMDTWWADBJFCOH-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246586571 988145531 /nfs/dbraw/zinc/14/55/31/988145531.db2.gz RINHMVOWCLTRRW-MGPQQGTHSA-N 2 2 244.398 2.962 20 0 BFADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246586571 988145545 /nfs/dbraw/zinc/14/55/45/988145545.db2.gz RINHMVOWCLTRRW-MGPQQGTHSA-N 2 2 244.398 2.962 20 0 BFADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246587969 988154969 /nfs/dbraw/zinc/15/49/69/988154969.db2.gz VYVJVGBFZKLQFZ-CHWSQXEVSA-N 2 2 244.398 2.818 20 0 BFADLP CC(C)CC(CC(C)C)[N@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246587969 988154978 /nfs/dbraw/zinc/15/49/78/988154978.db2.gz VYVJVGBFZKLQFZ-CHWSQXEVSA-N 2 2 244.398 2.818 20 0 BFADLP CCC[C@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663419 988401023 /nfs/dbraw/zinc/40/10/23/988401023.db2.gz MRFWEKCUUBQDAM-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H](C)CC[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663419 988401032 /nfs/dbraw/zinc/40/10/32/988401032.db2.gz MRFWEKCUUBQDAM-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667436 988409558 /nfs/dbraw/zinc/40/95/58/988409558.db2.gz ZEIUJCIXBBOJJR-BYNSBNAKSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667436 988409565 /nfs/dbraw/zinc/40/95/65/988409565.db2.gz ZEIUJCIXBBOJJR-BYNSBNAKSA-N 2 2 238.419 2.741 20 0 BFADLP c1csc([C@H]2CCC[N@@H+]2[C@H]2CCC[NH2+]C2)c1 ZINC001246786629 988469480 /nfs/dbraw/zinc/46/94/80/988469480.db2.gz MMSJPHLZLCZMQP-NWDGAFQWSA-N 2 2 236.384 2.637 20 0 BFADLP c1csc([C@H]2CCC[N@H+]2[C@H]2CCC[NH2+]C2)c1 ZINC001246786629 988469485 /nfs/dbraw/zinc/46/94/85/988469485.db2.gz MMSJPHLZLCZMQP-NWDGAFQWSA-N 2 2 236.384 2.637 20 0 BFADLP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1C[NH2+][C@H](C)C1 ZINC001246847401 988561041 /nfs/dbraw/zinc/56/10/41/988561041.db2.gz RXNXVNVHIKYXRJ-BPLDGKMQSA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1C[NH2+][C@H](C)C1 ZINC001246847401 988561051 /nfs/dbraw/zinc/56/10/51/988561051.db2.gz RXNXVNVHIKYXRJ-BPLDGKMQSA-N 2 2 232.371 2.820 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3C[C@H]2C)C[NH2+]1 ZINC001246867819 988624989 /nfs/dbraw/zinc/62/49/89/988624989.db2.gz JUZCCSKUGAGHSY-XJKCOSOUSA-N 2 2 244.382 2.574 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3C[C@H]2C)C[NH2+]1 ZINC001246867819 988624993 /nfs/dbraw/zinc/62/49/93/988624993.db2.gz JUZCCSKUGAGHSY-XJKCOSOUSA-N 2 2 244.382 2.574 20 0 BFADLP C[C@H]1C[C@H]([N@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246957752 988785026 /nfs/dbraw/zinc/78/50/26/988785026.db2.gz CMFWZMUJBALQHP-BBRMVZONSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@H]1C[C@H]([N@@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246957752 988785039 /nfs/dbraw/zinc/78/50/39/988785039.db2.gz CMFWZMUJBALQHP-BBRMVZONSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308292679 990959243 /nfs/dbraw/zinc/95/92/43/990959243.db2.gz LJMFRAHDGQNBDW-XQLPTFJDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308292679 990959250 /nfs/dbraw/zinc/95/92/50/990959250.db2.gz LJMFRAHDGQNBDW-XQLPTFJDSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001258155296 991036518 /nfs/dbraw/zinc/03/65/18/991036518.db2.gz BTOYPOSMNPNZSY-IHRRRGAJSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001258155296 991036523 /nfs/dbraw/zinc/03/65/23/991036523.db2.gz BTOYPOSMNPNZSY-IHRRRGAJSA-N 2 2 238.419 2.883 20 0 BFADLP C[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCCC(C)(C)C1 ZINC001258282621 991212142 /nfs/dbraw/zinc/21/21/42/991212142.db2.gz IRAARIMJXXQDOM-CQSZACIVSA-N 2 2 238.419 2.981 20 0 BFADLP C[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCCC(C)(C)C1 ZINC001258282621 991212153 /nfs/dbraw/zinc/21/21/53/991212153.db2.gz IRAARIMJXXQDOM-CQSZACIVSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CCC[C@H](C)C1 ZINC001559911640 991325046 /nfs/dbraw/zinc/32/50/46/991325046.db2.gz JYJQYSPVGYDRPE-ZQDZILKHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CCC[C@H](C)C1 ZINC001559911640 991325057 /nfs/dbraw/zinc/32/50/57/991325057.db2.gz JYJQYSPVGYDRPE-ZQDZILKHSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CC(C)C1 ZINC001140023548 991489303 /nfs/dbraw/zinc/48/93/03/991489303.db2.gz QEQWZBPDDOFIAN-UHFFFAOYSA-N 2 2 241.338 2.632 20 0 BFADLP Cc1[nH+]ccn1-c1ccccc1C[NH+]1CCCC1 ZINC001140023449 991491084 /nfs/dbraw/zinc/49/10/84/991491084.db2.gz OWPBOMIPYFFNRZ-UHFFFAOYSA-N 2 2 241.338 2.777 20 0 BFADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC001258598730 991498407 /nfs/dbraw/zinc/49/84/07/991498407.db2.gz KZHCVJLJPQWWNZ-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC001258598730 991498410 /nfs/dbraw/zinc/49/84/10/991498410.db2.gz KZHCVJLJPQWWNZ-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001560920191 991653384 /nfs/dbraw/zinc/65/33/84/991653384.db2.gz YMPFHEXOIYHFIK-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001560920191 991653392 /nfs/dbraw/zinc/65/33/92/991653392.db2.gz YMPFHEXOIYHFIK-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@H](CCC)n1cc[nH+]c1CC[NH3+] ZINC001258752130 991693969 /nfs/dbraw/zinc/69/39/69/991693969.db2.gz ABJIYHZOQQIKCW-LBPRGKRZSA-N 2 2 223.364 2.916 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001258815513 991827534 /nfs/dbraw/zinc/82/75/34/991827534.db2.gz XTJNMSSICROUFH-CFVMTHIKSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001258815513 991827542 /nfs/dbraw/zinc/82/75/42/991827542.db2.gz XTJNMSSICROUFH-CFVMTHIKSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC001258815433 991829545 /nfs/dbraw/zinc/82/95/45/991829545.db2.gz WMTXWCBLCIFAET-MJBXVCDLSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C)C2)C1 ZINC001258815433 991829550 /nfs/dbraw/zinc/82/95/50/991829550.db2.gz WMTXWCBLCIFAET-MJBXVCDLSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001258817073 991832664 /nfs/dbraw/zinc/83/26/64/991832664.db2.gz MREMWWLRMXXSTA-QWHCGFSZSA-N 2 2 234.343 2.629 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001258817072 991833714 /nfs/dbraw/zinc/83/37/14/991833714.db2.gz MREMWWLRMXXSTA-OLZOCXBDSA-N 2 2 234.343 2.629 20 0 BFADLP C[C@]1([NH2+][C@@H]2CCC[NH2+]C2)CCCc2ccccc21 ZINC001573625066 992655505 /nfs/dbraw/zinc/65/55/05/992655505.db2.gz HFXXYYIKXWSWKE-ZBFHGGJFSA-N 2 2 244.382 2.580 20 0 BFADLP CC(C)(C)c1cn(CCCCCC[NH3+])c[nH+]1 ZINC001575276824 993005605 /nfs/dbraw/zinc/00/56/05/993005605.db2.gz AFDCKROQNFQGJF-UHFFFAOYSA-N 2 2 223.364 2.700 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+][C@H](CC[NH3+])C(F)F ZINC001576435371 993307092 /nfs/dbraw/zinc/30/70/92/993307092.db2.gz YWCLBGYGTFAPBA-NXEZZACHSA-N 2 2 234.334 2.527 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000381600618 993411290 /nfs/dbraw/zinc/41/12/90/993411290.db2.gz NDPRCOSFHLIUPU-WFASDCNBSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000381600618 993411297 /nfs/dbraw/zinc/41/12/97/993411297.db2.gz NDPRCOSFHLIUPU-WFASDCNBSA-N 2 2 232.371 2.561 20 0 BFADLP CCC1(C)CCC([NH2+][C@H](CC[NH3+])C(F)F)CC1 ZINC001577205821 993545901 /nfs/dbraw/zinc/54/59/01/993545901.db2.gz ZMZDFMAXVPKIJH-QWKFWESOSA-N 2 2 248.361 2.917 20 0 BFADLP CC(C)CC(CC(C)C)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000385257731 993654192 /nfs/dbraw/zinc/65/41/92/993654192.db2.gz SEBHABRMBVZCSB-CQSZACIVSA-N 2 2 240.435 2.989 20 0 BFADLP CC(C)CC(CC(C)C)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000385257731 993654199 /nfs/dbraw/zinc/65/41/99/993654199.db2.gz SEBHABRMBVZCSB-CQSZACIVSA-N 2 2 240.435 2.989 20 0 BFADLP Cc1[nH]c(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)c(C)[nH+]1 ZINC000724792862 994076271 /nfs/dbraw/zinc/07/62/71/994076271.db2.gz HCWBSTUTVLKZTF-OPQQBVKSSA-N 2 2 235.375 2.941 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000310027466 168315941 /nfs/dbraw/zinc/31/59/41/168315941.db2.gz QALRSKAWBOORCD-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000310027466 168315942 /nfs/dbraw/zinc/31/59/42/168315942.db2.gz QALRSKAWBOORCD-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccoc1 ZINC000161546099 538916560 /nfs/dbraw/zinc/91/65/60/538916560.db2.gz XTMOTUGAVWKNMA-AWEZNQCLSA-N 2 2 236.359 2.586 20 0 BFADLP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccoc1 ZINC000161546099 538916562 /nfs/dbraw/zinc/91/65/62/538916562.db2.gz XTMOTUGAVWKNMA-AWEZNQCLSA-N 2 2 236.359 2.586 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCC1 ZINC000152040198 136212351 /nfs/dbraw/zinc/21/23/51/136212351.db2.gz SUMUUANMLNMPNM-BBRMVZONSA-N 2 2 244.382 2.649 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCC1 ZINC000152040198 136212352 /nfs/dbraw/zinc/21/23/52/136212352.db2.gz SUMUUANMLNMPNM-BBRMVZONSA-N 2 2 244.382 2.649 20 0 BFADLP CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccoc1 ZINC000161546099 538916557 /nfs/dbraw/zinc/91/65/57/538916557.db2.gz XTMOTUGAVWKNMA-AWEZNQCLSA-N 2 2 236.359 2.586 20 0 BFADLP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccoc1 ZINC000161546099 538916558 /nfs/dbraw/zinc/91/65/58/538916558.db2.gz XTMOTUGAVWKNMA-AWEZNQCLSA-N 2 2 236.359 2.586 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@H]1CCC[NH2+]1 ZINC000422941885 398159924 /nfs/dbraw/zinc/15/99/24/398159924.db2.gz VXMXHLSOZOMMOI-VQISRLSMSA-N 2 2 248.345 2.543 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC000649379882 398189861 /nfs/dbraw/zinc/18/98/61/398189861.db2.gz VSUSCZXXTUTPLN-HNNXBMFYSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2=CCCCC2)C1 ZINC000649379882 398189865 /nfs/dbraw/zinc/18/98/65/398189865.db2.gz VSUSCZXXTUTPLN-HNNXBMFYSA-N 2 2 236.403 2.949 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[N@H+](C)CCCn1cc[nH+]c1 ZINC000119968908 398197310 /nfs/dbraw/zinc/19/73/10/398197310.db2.gz CQZNKVGAQROQEE-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1 ZINC000119968908 398197315 /nfs/dbraw/zinc/19/73/15/398197315.db2.gz CQZNKVGAQROQEE-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H](C[NH2+]Cc1cscc1Cl)C[NH+](C)C ZINC000380138083 398184924 /nfs/dbraw/zinc/18/49/24/398184924.db2.gz UZOPMEPIXFFYMW-VIFPVBQESA-N 2 2 246.807 2.689 20 0 BFADLP C[C@@H](C[NH2+]CCCn1cc[nH+]c1)C(C)(C)C ZINC000162805872 538924708 /nfs/dbraw/zinc/92/47/08/538924708.db2.gz HUYMBERRFZFWBF-LBPRGKRZSA-N 2 2 223.364 2.545 20 0 BFADLP Cc1cc(NCCC[NH2+]C2CCCCC2)nc[nH+]1 ZINC000301254757 178159335 /nfs/dbraw/zinc/15/93/35/178159335.db2.gz QSCKMGZYOPHGIT-UHFFFAOYSA-N 2 2 248.374 2.509 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000367690135 168353356 /nfs/dbraw/zinc/35/33/56/168353356.db2.gz XITDLJKQJHHOBR-ZFWWWQNUSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000367690135 168353358 /nfs/dbraw/zinc/35/33/58/168353358.db2.gz XITDLJKQJHHOBR-ZFWWWQNUSA-N 2 2 238.419 2.981 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cs1 ZINC000294260238 178224747 /nfs/dbraw/zinc/22/47/47/178224747.db2.gz QWKXTRSLFWLJQM-GFCCVEGCSA-N 2 2 249.383 2.994 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cs1 ZINC000294300496 178232306 /nfs/dbraw/zinc/23/23/06/178232306.db2.gz UYLUXUHDKKNLQQ-ZYHUDNBSSA-N 2 2 249.383 2.992 20 0 BFADLP CC[C@H](C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000421370007 192335331 /nfs/dbraw/zinc/33/53/31/192335331.db2.gz CXFUQXASHCGGAI-LBPRGKRZSA-N 2 2 220.360 2.958 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cs1 ZINC000381427121 398257192 /nfs/dbraw/zinc/25/71/92/398257192.db2.gz BTBKVMWBDAONOZ-DGCLKSJQSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000381427121 398257193 /nfs/dbraw/zinc/25/71/93/398257193.db2.gz BTBKVMWBDAONOZ-DGCLKSJQSA-N 2 2 238.400 2.801 20 0 BFADLP C[C@H]1CCC[C@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000576764866 365680984 /nfs/dbraw/zinc/68/09/84/365680984.db2.gz CFBKSFZNPGOGSC-KBPBESRZSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@H]1CCC[C@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000576764866 365680991 /nfs/dbraw/zinc/68/09/91/365680991.db2.gz CFBKSFZNPGOGSC-KBPBESRZSA-N 2 2 249.402 2.863 20 0 BFADLP CCC(CC)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000053486426 168388397 /nfs/dbraw/zinc/38/83/97/168388397.db2.gz XGNNJMTUZFIXQA-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000053486426 168388398 /nfs/dbraw/zinc/38/83/98/168388398.db2.gz XGNNJMTUZFIXQA-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000040672991 538972176 /nfs/dbraw/zinc/97/21/76/538972176.db2.gz ZPQGHFIEKQXNCW-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000040672991 538972177 /nfs/dbraw/zinc/97/21/77/538972177.db2.gz ZPQGHFIEKQXNCW-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040671825 538972468 /nfs/dbraw/zinc/97/24/68/538972468.db2.gz AIMSTFVSBZXAAD-GOEBONIOSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040671825 538972469 /nfs/dbraw/zinc/97/24/69/538972469.db2.gz AIMSTFVSBZXAAD-GOEBONIOSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000040671958 538972580 /nfs/dbraw/zinc/97/25/80/538972580.db2.gz NZCXZLAKEZWTOU-BXUZGUMPSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000040671958 538972581 /nfs/dbraw/zinc/97/25/81/538972581.db2.gz NZCXZLAKEZWTOU-BXUZGUMPSA-N 2 2 236.334 2.571 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672125 538972630 /nfs/dbraw/zinc/97/26/30/538972630.db2.gz NNKLNBFYSPLRMK-KGLIPLIRSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672125 538972632 /nfs/dbraw/zinc/97/26/32/538972632.db2.gz NNKLNBFYSPLRMK-KGLIPLIRSA-N 2 2 232.371 2.740 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075826 538974457 /nfs/dbraw/zinc/97/44/57/538974457.db2.gz LQTCKDUPKSBFCB-CVEARBPZSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075826 538974458 /nfs/dbraw/zinc/97/44/58/538974458.db2.gz LQTCKDUPKSBFCB-CVEARBPZSA-N 2 2 244.382 2.822 20 0 BFADLP CC(C)[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000232725055 342879430 /nfs/dbraw/zinc/87/94/30/342879430.db2.gz KRSJEEDWYKEKKY-GOEBONIOSA-N 2 2 248.414 2.966 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCC13CCC3)C2 ZINC000336228125 398324248 /nfs/dbraw/zinc/32/42/48/398324248.db2.gz QAOVSRPMUKDCLV-FZMZJTMJSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCC13CCC3)CC2 ZINC000336228125 398324249 /nfs/dbraw/zinc/32/42/49/398324249.db2.gz QAOVSRPMUKDCLV-FZMZJTMJSA-N 2 2 245.370 2.579 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313262703 259332189 /nfs/dbraw/zinc/33/21/89/259332189.db2.gz LCGQTUWUCNIQLC-KGLIPLIRSA-N 2 2 249.402 2.767 20 0 BFADLP CCC[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000053343392 346887485 /nfs/dbraw/zinc/88/74/85/346887485.db2.gz ZUHQBFSYPDGDGT-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000053343392 346887486 /nfs/dbraw/zinc/88/74/86/346887486.db2.gz ZUHQBFSYPDGDGT-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCCC(CCC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313276131 259332781 /nfs/dbraw/zinc/33/27/81/259332781.db2.gz XBVANYOYAUZMGB-UHFFFAOYSA-N 2 2 223.364 2.521 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313271720 259332927 /nfs/dbraw/zinc/33/29/27/259332927.db2.gz PLLZDYVSUNGYLE-CYBMUJFWSA-N 2 2 243.354 2.622 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000233892641 343115052 /nfs/dbraw/zinc/11/50/52/343115052.db2.gz VFXGPZWDPWJCMD-HUUCEWRRSA-N 2 2 232.371 2.788 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000253622571 343126587 /nfs/dbraw/zinc/12/65/87/343126587.db2.gz FURWIVBBQXJYEL-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000253622571 343126589 /nfs/dbraw/zinc/12/65/89/343126589.db2.gz FURWIVBBQXJYEL-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP CCC[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000185864187 343169472 /nfs/dbraw/zinc/16/94/72/343169472.db2.gz QGKTXIFNPMTYIR-AWEZNQCLSA-N 2 2 235.375 2.928 20 0 BFADLP CCC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000185864187 343169473 /nfs/dbraw/zinc/16/94/73/343169473.db2.gz QGKTXIFNPMTYIR-AWEZNQCLSA-N 2 2 235.375 2.928 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261551784 136272556 /nfs/dbraw/zinc/27/25/56/136272556.db2.gz XWEJJANHLRBQAC-IINYFYTJSA-N 2 2 244.338 2.520 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H]([NH3+])C1 ZINC000261551784 136272557 /nfs/dbraw/zinc/27/25/57/136272557.db2.gz XWEJJANHLRBQAC-IINYFYTJSA-N 2 2 244.338 2.520 20 0 BFADLP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1C ZINC000034991013 343282204 /nfs/dbraw/zinc/28/22/04/343282204.db2.gz UYSBMESIBJCCAM-UHFFFAOYSA-N 2 2 243.354 2.680 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000580035769 343321155 /nfs/dbraw/zinc/32/11/55/343321155.db2.gz FOSCPCVEZGDWDM-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000580035769 343321157 /nfs/dbraw/zinc/32/11/57/343321157.db2.gz FOSCPCVEZGDWDM-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000580035771 343321511 /nfs/dbraw/zinc/32/15/11/343321511.db2.gz FOSCPCVEZGDWDM-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000580035771 343321513 /nfs/dbraw/zinc/32/15/13/343321513.db2.gz FOSCPCVEZGDWDM-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996442 343329539 /nfs/dbraw/zinc/32/95/39/343329539.db2.gz SUFNDNVRQKQZJV-LSDHHAIUSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996442 343329540 /nfs/dbraw/zinc/32/95/40/343329540.db2.gz SUFNDNVRQKQZJV-LSDHHAIUSA-N 2 2 248.345 2.542 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1 ZINC000035274882 343291781 /nfs/dbraw/zinc/29/17/81/343291781.db2.gz NJJDQXKVYOSOAP-NSHDSACASA-N 2 2 249.745 2.715 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000035275263 343291990 /nfs/dbraw/zinc/29/19/90/343291990.db2.gz ISVMDQHHEFJSMN-KBPBESRZSA-N 2 2 243.354 2.665 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1 ZINC000035274794 343292013 /nfs/dbraw/zinc/29/20/13/343292013.db2.gz MDXKNMJZVLJQCW-NSHDSACASA-N 2 2 249.745 2.715 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C)CCc1ccco1 ZINC000035451104 343297184 /nfs/dbraw/zinc/29/71/84/343297184.db2.gz NOPNPFAOFPAKQE-CYBMUJFWSA-N 2 2 238.375 2.532 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccccc1 ZINC000037157985 343337293 /nfs/dbraw/zinc/33/72/93/343337293.db2.gz HONINRAKVCYRBL-CHWSQXEVSA-N 2 2 229.327 2.622 20 0 BFADLP Cc1ccc(CCC[NH2+]C(C)(C)C)c[nH+]1 ZINC000070639468 343337417 /nfs/dbraw/zinc/33/74/17/343337417.db2.gz JIFXBVDXKLPNTH-UHFFFAOYSA-N 2 2 206.333 2.711 20 0 BFADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000037249839 343340923 /nfs/dbraw/zinc/34/09/23/343340923.db2.gz BEXKTPNCWDWORY-SMDDNHRTSA-N 2 2 248.370 2.587 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767592 343409094 /nfs/dbraw/zinc/40/90/94/343409094.db2.gz NSNFEKSUUSDEGC-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(C)cc1 ZINC000041064064 343414766 /nfs/dbraw/zinc/41/47/66/343414766.db2.gz QDDOWUPGAHMFAY-HNNXBMFYSA-N 2 2 243.354 2.932 20 0 BFADLP CC(C)c1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041063277 343414771 /nfs/dbraw/zinc/41/47/71/343414771.db2.gz UNXJGLMZAHATNQ-UHFFFAOYSA-N 2 2 243.354 2.796 20 0 BFADLP C[C@@H](C[NH2+][C@H](c1ccccc1)C1CC1)[NH+](C)C ZINC000041075797 343414890 /nfs/dbraw/zinc/41/48/90/343414890.db2.gz VBRKTZNXCIOBID-SWLSCSKDSA-N 2 2 232.371 2.677 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)C1 ZINC000353248718 136363400 /nfs/dbraw/zinc/36/34/00/136363400.db2.gz LRUPIYQPTFUWNK-QNWHQSFQSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)C1 ZINC000353248718 136363401 /nfs/dbraw/zinc/36/34/01/136363401.db2.gz LRUPIYQPTFUWNK-QNWHQSFQSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H](C)C1 ZINC000353248720 136363452 /nfs/dbraw/zinc/36/34/52/136363452.db2.gz LRUPIYQPTFUWNK-XQHKEYJVSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H](C)C1 ZINC000353248720 136363453 /nfs/dbraw/zinc/36/34/53/136363453.db2.gz LRUPIYQPTFUWNK-XQHKEYJVSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H](CCCC(F)(F)F)[NH2+][C@@H](C)C[NH+](C)C ZINC000166691549 136363714 /nfs/dbraw/zinc/36/37/14/136363714.db2.gz CTIXKGXJTBCZPI-ZJUUUORDSA-N 2 2 240.313 2.647 20 0 BFADLP Cc1cccc(C[N@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000070975754 343579752 /nfs/dbraw/zinc/57/97/52/343579752.db2.gz KIKBHTCQZFFZNN-MRXNPFEDSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1cccc(C[N@@H+]2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000070975754 343579753 /nfs/dbraw/zinc/57/97/53/343579753.db2.gz KIKBHTCQZFFZNN-MRXNPFEDSA-N 2 2 246.398 2.957 20 0 BFADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1ccccc1Cl ZINC000049551672 343602186 /nfs/dbraw/zinc/60/21/86/343602186.db2.gz KDYMIYASWWRHEM-NSHDSACASA-N 2 2 240.778 2.770 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccccc1F ZINC000049553125 343602197 /nfs/dbraw/zinc/60/21/97/343602197.db2.gz CQSOBJJYRZWGHT-NWDGAFQWSA-N 2 2 238.350 2.817 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(OC)cc1 ZINC000054764698 343661689 /nfs/dbraw/zinc/66/16/89/343661689.db2.gz MWQPABKCVHVXKV-CQSZACIVSA-N 2 2 245.326 2.659 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C)C1 ZINC000340283582 187347564 /nfs/dbraw/zinc/34/75/64/187347564.db2.gz LSQYLYYAVRJMBP-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC[C@@H](C)C1 ZINC000340283582 187347565 /nfs/dbraw/zinc/34/75/65/187347565.db2.gz LSQYLYYAVRJMBP-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC[C@@H](C)C1 ZINC000340283582 187347567 /nfs/dbraw/zinc/34/75/67/187347567.db2.gz LSQYLYYAVRJMBP-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](C)C1 ZINC000340283582 187347569 /nfs/dbraw/zinc/34/75/69/187347569.db2.gz LSQYLYYAVRJMBP-HUUCEWRRSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000576648807 343756153 /nfs/dbraw/zinc/75/61/53/343756153.db2.gz FTJRWDCNWKKQBQ-QWHCGFSZSA-N 2 2 235.375 2.787 20 0 BFADLP Cc1ccc(CCC[NH2+]CCC2CC2)c[nH+]1 ZINC000336730097 537831740 /nfs/dbraw/zinc/83/17/40/537831740.db2.gz IDKIEOWUSHJPPN-UHFFFAOYSA-N 2 2 218.344 2.712 20 0 BFADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041027518 187355306 /nfs/dbraw/zinc/35/53/06/187355306.db2.gz WOYOGARDKDVWRJ-HNNXBMFYSA-N 2 2 246.398 2.907 20 0 BFADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041027518 187355307 /nfs/dbraw/zinc/35/53/07/187355307.db2.gz WOYOGARDKDVWRJ-HNNXBMFYSA-N 2 2 246.398 2.907 20 0 BFADLP c1cn(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)c[nH+]1 ZINC000092648415 187287125 /nfs/dbraw/zinc/28/71/25/187287125.db2.gz DFOUJXQBPDWEBW-CQSZACIVSA-N 2 2 245.370 2.876 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000156646137 344147904 /nfs/dbraw/zinc/14/79/04/344147904.db2.gz MFPNBVCDGHDNAJ-DZGCQCFKSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000156646137 344147905 /nfs/dbraw/zinc/14/79/05/344147905.db2.gz MFPNBVCDGHDNAJ-DZGCQCFKSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(CC)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000019231542 259378211 /nfs/dbraw/zinc/37/82/11/259378211.db2.gz HOVYYARRSGCINJ-CQSZACIVSA-N 2 2 228.424 2.989 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]CC[N@H+](C)CC ZINC000393626168 259378274 /nfs/dbraw/zinc/37/82/74/259378274.db2.gz XYFMSZIQYUMINN-OLZOCXBDSA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]CC[N@@H+](C)CC ZINC000393626168 259378275 /nfs/dbraw/zinc/37/82/75/259378275.db2.gz XYFMSZIQYUMINN-OLZOCXBDSA-N 2 2 214.397 2.743 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000122301485 187295366 /nfs/dbraw/zinc/29/53/66/187295366.db2.gz KEMHGWWQVMJQSV-HIFRSBDPSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c1 ZINC000122301485 187295368 /nfs/dbraw/zinc/29/53/68/187295368.db2.gz KEMHGWWQVMJQSV-HIFRSBDPSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000122301083 344953886 /nfs/dbraw/zinc/95/38/86/344953886.db2.gz KEMHGWWQVMJQSV-ZFWWWQNUSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)c1 ZINC000122301083 344953890 /nfs/dbraw/zinc/95/38/90/344953890.db2.gz KEMHGWWQVMJQSV-ZFWWWQNUSA-N 2 2 244.382 2.710 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000359301387 187297714 /nfs/dbraw/zinc/29/77/14/187297714.db2.gz KMRJJYANCNDCOV-BPUTZDHNSA-N 2 2 246.398 2.923 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000359301387 187297717 /nfs/dbraw/zinc/29/77/17/187297717.db2.gz KMRJJYANCNDCOV-BPUTZDHNSA-N 2 2 246.398 2.923 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000359301392 187297181 /nfs/dbraw/zinc/29/71/81/187297181.db2.gz KMRJJYANCNDCOV-IMJJTQAJSA-N 2 2 246.398 2.923 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000359301392 187297183 /nfs/dbraw/zinc/29/71/83/187297183.db2.gz KMRJJYANCNDCOV-IMJJTQAJSA-N 2 2 246.398 2.923 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154527186 345040252 /nfs/dbraw/zinc/04/02/52/345040252.db2.gz NHZCTJIUWIKCEJ-CZUORRHYSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154527186 345040254 /nfs/dbraw/zinc/04/02/54/345040254.db2.gz NHZCTJIUWIKCEJ-CZUORRHYSA-N 2 2 244.382 2.666 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2cccc[nH+]2)C1 ZINC000079927641 345059750 /nfs/dbraw/zinc/05/97/50/345059750.db2.gz BRAIFZGGPSTXDF-OKILXGFUSA-N 2 2 247.386 2.862 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNc2cccc[nH+]2)C1 ZINC000079927641 345059753 /nfs/dbraw/zinc/05/97/53/345059753.db2.gz BRAIFZGGPSTXDF-OKILXGFUSA-N 2 2 247.386 2.862 20 0 BFADLP CCC1CCC([N@H+](C)CC23CC(C2)C[NH2+]3)CC1 ZINC000634991546 345177802 /nfs/dbraw/zinc/17/78/02/345177802.db2.gz IMZSIHMLKZARIX-UHFFFAOYSA-N 2 2 236.403 2.639 20 0 BFADLP CCC1CCC([N@@H+](C)CC23CC(C2)C[NH2+]3)CC1 ZINC000634991546 345177806 /nfs/dbraw/zinc/17/78/06/345177806.db2.gz IMZSIHMLKZARIX-UHFFFAOYSA-N 2 2 236.403 2.639 20 0 BFADLP C(C1CC1)[N@H+](CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634992397 345180446 /nfs/dbraw/zinc/18/04/46/345180446.db2.gz NWHWGLDKAYMVKB-UHFFFAOYSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@@H+](CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634992397 345180448 /nfs/dbraw/zinc/18/04/48/345180448.db2.gz NWHWGLDKAYMVKB-UHFFFAOYSA-N 2 2 248.414 2.783 20 0 BFADLP Cc1cscc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156153528 345133024 /nfs/dbraw/zinc/13/30/24/345133024.db2.gz FMPVSCNGCOEYSF-DGCLKSJQSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1cscc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156153528 345133026 /nfs/dbraw/zinc/13/30/26/345133026.db2.gz FMPVSCNGCOEYSF-DGCLKSJQSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccco1 ZINC000090847324 345577364 /nfs/dbraw/zinc/57/73/64/345577364.db2.gz UFGVDPNPMNRTJY-GFCCVEGCSA-N 2 2 230.311 2.876 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccncc1 ZINC000090846951 345576751 /nfs/dbraw/zinc/57/67/51/345576751.db2.gz MFRDVQVRDROHOX-CYBMUJFWSA-N 2 2 241.338 2.678 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CCC1)[NH+]1CCC(C)CC1 ZINC000434771670 537900801 /nfs/dbraw/zinc/90/08/01/537900801.db2.gz APIHGNAQLMWLJA-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)(C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866287 345666767 /nfs/dbraw/zinc/66/67/67/345666767.db2.gz WRJXTSRHQXCTON-CYBMUJFWSA-N 2 2 234.343 2.581 20 0 BFADLP CC(C)(C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000093866287 345666768 /nfs/dbraw/zinc/66/67/68/345666768.db2.gz WRJXTSRHQXCTON-CYBMUJFWSA-N 2 2 234.343 2.581 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000628210466 345811647 /nfs/dbraw/zinc/81/16/47/345811647.db2.gz YDGKRKMOFHDBPC-HOCLYGCPSA-N 2 2 246.398 2.782 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000628210466 345811650 /nfs/dbraw/zinc/81/16/50/345811650.db2.gz YDGKRKMOFHDBPC-HOCLYGCPSA-N 2 2 246.398 2.782 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)c(C)o1 ZINC000313288477 537951912 /nfs/dbraw/zinc/95/19/12/537951912.db2.gz YSTCHUABQYBLBC-LLVKDONJSA-N 2 2 247.342 2.523 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC12CCC2 ZINC000394774690 323108660 /nfs/dbraw/zinc/10/86/60/323108660.db2.gz NSXVZBWUEYATJX-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000628232628 346185439 /nfs/dbraw/zinc/18/54/39/346185439.db2.gz GQQPBQLPTRYKMX-OAHLLOKOSA-N 2 2 246.398 2.784 20 0 BFADLP CCCCC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311553 349945899 /nfs/dbraw/zinc/94/58/99/349945899.db2.gz IWXVSPJEPUWWNI-HNNXBMFYSA-N 2 2 232.371 2.735 20 0 BFADLP CCCCC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311553 349945902 /nfs/dbraw/zinc/94/59/02/349945902.db2.gz IWXVSPJEPUWWNI-HNNXBMFYSA-N 2 2 232.371 2.735 20 0 BFADLP C/C=C/C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000626162878 346274216 /nfs/dbraw/zinc/27/42/16/346274216.db2.gz AAFKESLIRCJDJV-FAAWYNLUSA-N 2 2 247.386 2.951 20 0 BFADLP C/C=C/C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000626162878 346274218 /nfs/dbraw/zinc/27/42/18/346274218.db2.gz AAFKESLIRCJDJV-FAAWYNLUSA-N 2 2 247.386 2.951 20 0 BFADLP C/C=C\C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000626163251 346275118 /nfs/dbraw/zinc/27/51/18/346275118.db2.gz HIUIVCQLJZNSFC-PYLYLYNFSA-N 2 2 233.359 2.561 20 0 BFADLP C/C=C\C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000626163251 346275121 /nfs/dbraw/zinc/27/51/21/346275121.db2.gz HIUIVCQLJZNSFC-PYLYLYNFSA-N 2 2 233.359 2.561 20 0 BFADLP C/C=C\C[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000626163836 346276329 /nfs/dbraw/zinc/27/63/29/346276329.db2.gz RGHVSDDLDGKXRS-NQHOJNORSA-N 2 2 247.386 2.641 20 0 BFADLP C/C=C\C[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000626163836 346276331 /nfs/dbraw/zinc/27/63/31/346276331.db2.gz RGHVSDDLDGKXRS-NQHOJNORSA-N 2 2 247.386 2.641 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000628276384 346287349 /nfs/dbraw/zinc/28/73/49/346287349.db2.gz BFUXICZFLFZQPA-KGLIPLIRSA-N 2 2 234.387 2.638 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000355030445 179049474 /nfs/dbraw/zinc/04/94/74/179049474.db2.gz DBVRQLJMZGCWPR-ILXRZTDVSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000355030445 179049475 /nfs/dbraw/zinc/04/94/75/179049475.db2.gz DBVRQLJMZGCWPR-ILXRZTDVSA-N 2 2 246.398 2.904 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC000294878133 346314390 /nfs/dbraw/zinc/31/43/90/346314390.db2.gz XHCCMCNWMNDJSF-CYBMUJFWSA-N 2 2 238.400 2.630 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1csc(C)c1 ZINC000294878133 346314391 /nfs/dbraw/zinc/31/43/91/346314391.db2.gz XHCCMCNWMNDJSF-CYBMUJFWSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1cccc(C[N@@H+](C)C[C@H]([NH3+])CC(C)C)c1 ZINC000042435910 179065151 /nfs/dbraw/zinc/06/51/51/179065151.db2.gz YPWWHOFOOWTOMF-OAHLLOKOSA-N 2 2 234.387 2.800 20 0 BFADLP Cc1cccc(C[N@H+](C)C[C@H]([NH3+])CC(C)C)c1 ZINC000042435910 179065155 /nfs/dbraw/zinc/06/51/55/179065155.db2.gz YPWWHOFOOWTOMF-OAHLLOKOSA-N 2 2 234.387 2.800 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272698297 179082208 /nfs/dbraw/zinc/08/22/08/179082208.db2.gz YFUDJSGOWHSMJN-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272698297 179082210 /nfs/dbraw/zinc/08/22/10/179082210.db2.gz YFUDJSGOWHSMJN-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272698297 179082213 /nfs/dbraw/zinc/08/22/13/179082213.db2.gz YFUDJSGOWHSMJN-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272698297 179082215 /nfs/dbraw/zinc/08/22/15/179082215.db2.gz YFUDJSGOWHSMJN-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020201709 259391035 /nfs/dbraw/zinc/39/10/35/259391035.db2.gz GTKSICMHMCTOIM-QWHCGFSZSA-N 2 2 214.397 2.741 20 0 BFADLP CCCC1CCC([NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000038088121 346712735 /nfs/dbraw/zinc/71/27/35/346712735.db2.gz NZDFXZLICXWLGV-IYXRBSQSSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cccc(NCC2([NH+](C)C)CCCC2)[nH+]1 ZINC000133279099 179144398 /nfs/dbraw/zinc/14/43/98/179144398.db2.gz JZQXTLLXJASLIT-UHFFFAOYSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1cccc(NCC[NH+]2CCC(C)CC2)[nH+]1 ZINC000040772347 179145127 /nfs/dbraw/zinc/14/51/27/179145127.db2.gz QNFPDRIWBAKWIK-UHFFFAOYSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000154641577 179195819 /nfs/dbraw/zinc/19/58/19/179195819.db2.gz KSNCKNDFARLIGK-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000154641577 179195820 /nfs/dbraw/zinc/19/58/20/179195820.db2.gz KSNCKNDFARLIGK-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP CCCC(CCC)[NH2+]CC[NH+](CC)CC ZINC000019919643 347317654 /nfs/dbraw/zinc/31/76/54/347317654.db2.gz OWHILQSVVBXETJ-UHFFFAOYSA-N 2 2 214.397 2.887 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154601278 179321998 /nfs/dbraw/zinc/32/19/98/179321998.db2.gz SGWCFTBQLUFOKR-KGLIPLIRSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154601278 179322000 /nfs/dbraw/zinc/32/20/00/179322000.db2.gz SGWCFTBQLUFOKR-KGLIPLIRSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506211 179337836 /nfs/dbraw/zinc/33/78/36/179337836.db2.gz SBUGWNBFMVDVRA-AWEZNQCLSA-N 2 2 243.354 2.932 20 0 BFADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1sccc1Cl ZINC000308903213 323180974 /nfs/dbraw/zinc/18/09/74/323180974.db2.gz UUIINXPMUYYBEB-DTWKUNHWSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1sccc1Cl ZINC000308903213 323180975 /nfs/dbraw/zinc/18/09/75/323180975.db2.gz UUIINXPMUYYBEB-DTWKUNHWSA-N 2 2 244.791 2.713 20 0 BFADLP CCC(CC)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000535746966 323190317 /nfs/dbraw/zinc/19/03/17/323190317.db2.gz CVUHTGFGYBCTML-UHFFFAOYSA-N 2 2 221.348 2.536 20 0 BFADLP CCC(CC)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000535746966 323190318 /nfs/dbraw/zinc/19/03/18/323190318.db2.gz CVUHTGFGYBCTML-UHFFFAOYSA-N 2 2 221.348 2.536 20 0 BFADLP CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248376098 349127482 /nfs/dbraw/zinc/12/74/82/349127482.db2.gz ZGEUUHJKNFDWQN-AGIUHOORSA-N 2 2 221.348 2.565 20 0 BFADLP CC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248376098 349127484 /nfs/dbraw/zinc/12/74/84/349127484.db2.gz ZGEUUHJKNFDWQN-AGIUHOORSA-N 2 2 221.348 2.565 20 0 BFADLP CC(C)[N@H+](C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000601505393 349293376 /nfs/dbraw/zinc/29/33/76/349293376.db2.gz JHFPZOSYVQXNFY-UHFFFAOYSA-N 2 2 247.386 2.638 20 0 BFADLP CC(C)[N@@H+](C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000601505393 349293378 /nfs/dbraw/zinc/29/33/78/349293378.db2.gz JHFPZOSYVQXNFY-UHFFFAOYSA-N 2 2 247.386 2.638 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)[NH+](C)C ZINC000131889956 191017334 /nfs/dbraw/zinc/01/73/34/191017334.db2.gz GOKIRHJAFLYNIL-STQMWFEESA-N 2 2 228.424 2.987 20 0 BFADLP CCC(CC)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000133375324 191040453 /nfs/dbraw/zinc/04/04/53/191040453.db2.gz MINVBARZARHUBH-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP CCC(CC)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000133375324 191040455 /nfs/dbraw/zinc/04/04/55/191040455.db2.gz MINVBARZARHUBH-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)C1CC1 ZINC000020186683 180104121 /nfs/dbraw/zinc/10/41/21/180104121.db2.gz MDYFDKNVKOVMMQ-NSHDSACASA-N 2 2 243.354 2.733 20 0 BFADLP Cc1nc(NCCC[NH2+]C2CCCCC2)cc[nH+]1 ZINC000266132532 180197706 /nfs/dbraw/zinc/19/77/06/180197706.db2.gz DLENMKHZNZQFNX-UHFFFAOYSA-N 2 2 248.374 2.509 20 0 BFADLP Cc1[nH+]cccc1NC1CC[NH+](C(C)C)CC1 ZINC000091495606 180226435 /nfs/dbraw/zinc/22/64/35/180226435.db2.gz MWNQBBAZWDEGQA-UHFFFAOYSA-N 2 2 233.359 2.675 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC2(C1)CCCCC2 ZINC000336612532 180250921 /nfs/dbraw/zinc/25/09/21/180250921.db2.gz UNIHQEAQFHAXOY-UHFFFAOYSA-N 2 2 247.386 2.848 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC2(C1)CCCCC2 ZINC000336612532 180250924 /nfs/dbraw/zinc/25/09/24/180250924.db2.gz UNIHQEAQFHAXOY-UHFFFAOYSA-N 2 2 247.386 2.848 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000361550909 180251109 /nfs/dbraw/zinc/25/11/09/180251109.db2.gz UDKAHSJDKWGDSH-CQSZACIVSA-N 2 2 249.402 2.950 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000361550909 180251111 /nfs/dbraw/zinc/25/11/11/180251111.db2.gz UDKAHSJDKWGDSH-CQSZACIVSA-N 2 2 249.402 2.950 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000360213647 180254056 /nfs/dbraw/zinc/25/40/56/180254056.db2.gz QIEKHYYCLKFBKP-CFVMTHIKSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000360213647 180254060 /nfs/dbraw/zinc/25/40/60/180254060.db2.gz QIEKHYYCLKFBKP-CFVMTHIKSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000336495766 180255901 /nfs/dbraw/zinc/25/59/01/180255901.db2.gz VELSXQJIZPTHAH-UKRRQHHQSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000336495766 180255904 /nfs/dbraw/zinc/25/59/04/180255904.db2.gz VELSXQJIZPTHAH-UKRRQHHQSA-N 2 2 247.386 2.704 20 0 BFADLP C[C@H]([NH2+][C@@H]1CSc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422770030 192462212 /nfs/dbraw/zinc/46/22/12/192462212.db2.gz WFFWOBMLDAXLRQ-CYZMBNFOSA-N 2 2 248.395 2.564 20 0 BFADLP CCC[NH+](C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CCC ZINC000224108887 350308274 /nfs/dbraw/zinc/30/82/74/350308274.db2.gz BVSZBENKDXQPDA-OKILXGFUSA-N 2 2 226.408 2.981 20 0 BFADLP CCC[NH+](C)[C@@H]1CCCC[C@@H]1[N@H+](C)CCC ZINC000224108887 350308277 /nfs/dbraw/zinc/30/82/77/350308277.db2.gz BVSZBENKDXQPDA-OKILXGFUSA-N 2 2 226.408 2.981 20 0 BFADLP CCC[NH+](C)[C@H]1CCCC[C@H]1[N@H+](C)CCC ZINC000224108887 350308282 /nfs/dbraw/zinc/30/82/82/350308282.db2.gz BVSZBENKDXQPDA-OKILXGFUSA-N 2 2 226.408 2.981 20 0 BFADLP CCC[NH+](C)[C@H]1CCCC[C@H]1[N@@H+](C)CCC ZINC000224108887 350308284 /nfs/dbraw/zinc/30/82/84/350308284.db2.gz BVSZBENKDXQPDA-OKILXGFUSA-N 2 2 226.408 2.981 20 0 BFADLP Cc1[nH+]cn(C/C=C/Cn2c[nH+]c(C)c2C)c1C ZINC000112980608 180286316 /nfs/dbraw/zinc/28/63/16/180286316.db2.gz ZTSUFWGHDLMOHA-AATRIKPKSA-N 2 2 244.342 2.570 20 0 BFADLP CCCC(CCC)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427855216 191096413 /nfs/dbraw/zinc/09/64/13/191096413.db2.gz CHQZPFAZEAEYSA-CYBMUJFWSA-N 2 2 235.375 2.756 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427877913 191098937 /nfs/dbraw/zinc/09/89/37/191098937.db2.gz PLBXFSSUWHKDON-UPJWGTAASA-N 2 2 247.386 2.612 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427877912 191099089 /nfs/dbraw/zinc/09/90/89/191099089.db2.gz PLBXFSSUWHKDON-SFDCQRBFSA-N 2 2 247.386 2.612 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000300014626 490548512 /nfs/dbraw/zinc/54/85/12/490548512.db2.gz BAFVLBIWZRQYKX-CFVMTHIKSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000300014626 490548520 /nfs/dbraw/zinc/54/85/20/490548520.db2.gz BAFVLBIWZRQYKX-CFVMTHIKSA-N 2 2 236.403 2.663 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000336748882 350497945 /nfs/dbraw/zinc/49/79/45/350497945.db2.gz DBXNYVZWIMNXKS-YNEHKIRRSA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000070558522 350537974 /nfs/dbraw/zinc/53/79/74/350537974.db2.gz NLRHRLBVMCTFBY-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000070558522 350537976 /nfs/dbraw/zinc/53/79/76/350537976.db2.gz NLRHRLBVMCTFBY-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063191664 350575492 /nfs/dbraw/zinc/57/54/92/350575492.db2.gz PZLFEEICRMRDSB-DGCLKSJQSA-N 2 2 212.381 2.624 20 0 BFADLP CCC(CC)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063191664 350575495 /nfs/dbraw/zinc/57/54/95/350575495.db2.gz PZLFEEICRMRDSB-DGCLKSJQSA-N 2 2 212.381 2.624 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628312552 350814339 /nfs/dbraw/zinc/81/43/39/350814339.db2.gz GJMYUPHGKKGVRM-ZBFHGGJFSA-N 2 2 246.398 2.782 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccc(C)cc2)C1 ZINC000628312552 350814342 /nfs/dbraw/zinc/81/43/42/350814342.db2.gz GJMYUPHGKKGVRM-ZBFHGGJFSA-N 2 2 246.398 2.782 20 0 BFADLP CCc1cc[nH+]cc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000628325217 351251140 /nfs/dbraw/zinc/25/11/40/351251140.db2.gz CEXUQKYVYPLQTA-ZDUSSCGKSA-N 2 2 247.386 2.929 20 0 BFADLP CCc1cc[nH+]cc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000628325217 351251141 /nfs/dbraw/zinc/25/11/41/351251141.db2.gz CEXUQKYVYPLQTA-ZDUSSCGKSA-N 2 2 247.386 2.929 20 0 BFADLP CC[N@@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270313199 351378619 /nfs/dbraw/zinc/37/86/19/351378619.db2.gz JEXZNDVWPDCRNT-ZDUSSCGKSA-N 2 2 243.354 2.829 20 0 BFADLP CC[N@H+]1CCC[C@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270313199 351378623 /nfs/dbraw/zinc/37/86/23/351378623.db2.gz JEXZNDVWPDCRNT-ZDUSSCGKSA-N 2 2 243.354 2.829 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270313197 351378962 /nfs/dbraw/zinc/37/89/62/351378962.db2.gz JEXZNDVWPDCRNT-CYBMUJFWSA-N 2 2 243.354 2.829 20 0 BFADLP CC[N@H+]1CCC[C@@H]1Cn1c(C)[nH+]c2ccccc21 ZINC000270313197 351378966 /nfs/dbraw/zinc/37/89/66/351378966.db2.gz JEXZNDVWPDCRNT-CYBMUJFWSA-N 2 2 243.354 2.829 20 0 BFADLP C[NH+](C)[C@@H](C[NH2+]CC(C)(C)C)Cc1ccccc1 ZINC000237155230 351345381 /nfs/dbraw/zinc/34/53/81/351345381.db2.gz IXWPQLFGIDGEGR-OAHLLOKOSA-N 2 2 248.414 2.795 20 0 BFADLP CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034937352 351351219 /nfs/dbraw/zinc/35/12/19/351351219.db2.gz URWYTVLGZNQVEV-HNNXBMFYSA-N 2 2 232.371 2.651 20 0 BFADLP CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034937352 351351223 /nfs/dbraw/zinc/35/12/23/351351223.db2.gz URWYTVLGZNQVEV-HNNXBMFYSA-N 2 2 232.371 2.651 20 0 BFADLP CC(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034937350 351351400 /nfs/dbraw/zinc/35/14/00/351351400.db2.gz NOYWQGBCSBYMPP-INIZCTEOSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034937350 351351402 /nfs/dbraw/zinc/35/14/02/351351402.db2.gz NOYWQGBCSBYMPP-INIZCTEOSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[N@H+](CC(C)(C)C)CC(C)(C)[NH3+] ZINC000336727670 351529325 /nfs/dbraw/zinc/52/93/25/351529325.db2.gz CDJAOZFVSBBGDD-UHFFFAOYSA-N 2 2 214.397 2.728 20 0 BFADLP CC(C)C[N@@H+](CC(C)(C)C)CC(C)(C)[NH3+] ZINC000336727670 351529327 /nfs/dbraw/zinc/52/93/27/351529327.db2.gz CDJAOZFVSBBGDD-UHFFFAOYSA-N 2 2 214.397 2.728 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC(C)(C)C[C@H]1C)[NH+](C)C ZINC000088131641 351625641 /nfs/dbraw/zinc/62/56/41/351625641.db2.gz PAXWFXWAMPLRKW-JHJVBQTASA-N 2 2 226.408 2.741 20 0 BFADLP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CCn2cc[nH+]c2)CC1 ZINC000638297546 352129894 /nfs/dbraw/zinc/12/98/94/352129894.db2.gz GSXHZTQUCYWYPA-CABCVRRESA-N 2 2 247.386 2.998 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Cl)cc1C ZINC000414959730 352381815 /nfs/dbraw/zinc/38/18/15/352381815.db2.gz QEQDBMAUHQKECP-LLVKDONJSA-N 2 2 240.778 2.736 20 0 BFADLP CCCC[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045106197 323837138 /nfs/dbraw/zinc/83/71/38/323837138.db2.gz UDHBXQXPYCLBES-ZDUSSCGKSA-N 2 2 223.364 2.832 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CCCC12CCC2)C1CC1 ZINC000394879305 352508949 /nfs/dbraw/zinc/50/89/49/352508949.db2.gz YWZNHBQZSYUEBY-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CCCC12CCC2)C1CC1 ZINC000394879305 352508953 /nfs/dbraw/zinc/50/89/53/352508953.db2.gz YWZNHBQZSYUEBY-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)(C)C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000043596159 352640986 /nfs/dbraw/zinc/64/09/86/352640986.db2.gz NXIDGPADSRCUSE-AWEZNQCLSA-N 2 2 232.371 2.509 20 0 BFADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000334248428 352840861 /nfs/dbraw/zinc/84/08/61/352840861.db2.gz PWOJTCQIBBESPZ-OCCSQVGLSA-N 2 2 233.359 2.575 20 0 BFADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000334248428 352840866 /nfs/dbraw/zinc/84/08/66/352840866.db2.gz PWOJTCQIBBESPZ-OCCSQVGLSA-N 2 2 233.359 2.575 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](CNc1cccc[nH+]1)CCC2 ZINC000334249943 352843616 /nfs/dbraw/zinc/84/36/16/352843616.db2.gz YEXVGPHMJZYXBM-LBPRGKRZSA-N 2 2 242.326 2.576 20 0 BFADLP CC[C@@]1(C)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342899497 352914268 /nfs/dbraw/zinc/91/42/68/352914268.db2.gz FBIWCQFWVOEZER-HNNXBMFYSA-N 2 2 243.354 2.956 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000334375926 353032058 /nfs/dbraw/zinc/03/20/58/353032058.db2.gz DULUPMJLJJXPSU-BXUZGUMPSA-N 2 2 236.334 2.700 20 0 BFADLP C[C@@H]([NH3+])C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000334375926 353032059 /nfs/dbraw/zinc/03/20/59/353032059.db2.gz DULUPMJLJJXPSU-BXUZGUMPSA-N 2 2 236.334 2.700 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000334375927 353032460 /nfs/dbraw/zinc/03/24/60/353032460.db2.gz DULUPMJLJJXPSU-FZMZJTMJSA-N 2 2 236.334 2.700 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@H]1c1ccc(F)cc1 ZINC000334375927 353032465 /nfs/dbraw/zinc/03/24/65/353032465.db2.gz DULUPMJLJJXPSU-FZMZJTMJSA-N 2 2 236.334 2.700 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000336679075 188010739 /nfs/dbraw/zinc/01/07/39/188010739.db2.gz QUISSGNUVRLOHQ-BFHYXJOUSA-N 2 2 228.424 2.987 20 0 BFADLP Cc1c[nH+]ccc1CCNc1cc[nH+]cc1Cl ZINC000339056775 188018791 /nfs/dbraw/zinc/01/87/91/188018791.db2.gz UBZOQXULSOBTSG-UHFFFAOYSA-N 2 2 247.729 2.515 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)[nH]1 ZINC000271120291 188025257 /nfs/dbraw/zinc/02/52/57/188025257.db2.gz JHJJTGYCOREAIY-ZIAGYGMSSA-N 2 2 245.370 2.945 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)[nH]1 ZINC000271120291 188025258 /nfs/dbraw/zinc/02/52/58/188025258.db2.gz JHJJTGYCOREAIY-ZIAGYGMSSA-N 2 2 245.370 2.945 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000298263024 188040997 /nfs/dbraw/zinc/04/09/97/188040997.db2.gz FVTMFTHQMIUYKN-UHFFFAOYSA-N 2 2 247.386 2.641 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000298263024 188040998 /nfs/dbraw/zinc/04/09/98/188040998.db2.gz FVTMFTHQMIUYKN-UHFFFAOYSA-N 2 2 247.386 2.641 20 0 BFADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCCC1 ZINC000165183404 353196104 /nfs/dbraw/zinc/19/61/04/353196104.db2.gz YABOHXMHUPWHQA-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC2(C)C)CCC1 ZINC000165175890 353189229 /nfs/dbraw/zinc/18/92/29/353189229.db2.gz ZUZSVXDQYDSJQM-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353631503 188234370 /nfs/dbraw/zinc/23/43/70/188234370.db2.gz QUYYADBIZGBMNA-OLZOCXBDSA-N 2 2 247.386 2.992 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353631503 188234371 /nfs/dbraw/zinc/23/43/71/188234371.db2.gz QUYYADBIZGBMNA-OLZOCXBDSA-N 2 2 247.386 2.992 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)CC1CC1 ZINC000120348386 188248151 /nfs/dbraw/zinc/24/81/51/188248151.db2.gz BXQDMEHBARZDBQ-JSGCOSHPSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CC[NH+](C)C)c1C ZINC000271779980 188262601 /nfs/dbraw/zinc/26/26/01/188262601.db2.gz LJDPTJMTJQRVLN-CYBMUJFWSA-N 2 2 220.360 2.516 20 0 BFADLP CC1(C)C[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000044371618 188296144 /nfs/dbraw/zinc/29/61/44/188296144.db2.gz HJTDAICKIBNLKF-CQSZACIVSA-N 2 2 241.338 2.760 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000309417552 188344588 /nfs/dbraw/zinc/34/45/88/188344588.db2.gz ZACWRAQBHURJJL-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000337397359 188362444 /nfs/dbraw/zinc/36/24/44/188362444.db2.gz CAAAXMWNJAVBDW-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000337397359 188362446 /nfs/dbraw/zinc/36/24/46/188362446.db2.gz CAAAXMWNJAVBDW-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3CC=CCC3)CC2)[nH]1 ZINC000271133246 188376585 /nfs/dbraw/zinc/37/65/85/188376585.db2.gz AVPKANGJUDKYIY-CYBMUJFWSA-N 2 2 245.370 2.945 20 0 BFADLP Cc1cc[nH+]c(NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000277568534 188381459 /nfs/dbraw/zinc/38/14/59/188381459.db2.gz ZLRHVKHGLOOPGG-CQSZACIVSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cc[nH+]c(NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000277568534 188381461 /nfs/dbraw/zinc/38/14/61/188381461.db2.gz ZLRHVKHGLOOPGG-CQSZACIVSA-N 2 2 245.370 2.819 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000341338569 188397665 /nfs/dbraw/zinc/39/76/65/188397665.db2.gz AXAGAEAHKALAFX-KGLIPLIRSA-N 2 2 236.403 2.948 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000341338569 188397666 /nfs/dbraw/zinc/39/76/66/188397666.db2.gz AXAGAEAHKALAFX-KGLIPLIRSA-N 2 2 236.403 2.948 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000336779267 353544851 /nfs/dbraw/zinc/54/48/51/353544851.db2.gz NSULQMFPCBJPPW-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000336779267 353544852 /nfs/dbraw/zinc/54/48/52/353544852.db2.gz NSULQMFPCBJPPW-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP C([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639105044 353591982 /nfs/dbraw/zinc/59/19/82/353591982.db2.gz HXEWNWOFBJQMIH-HLPPOEQASA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639105044 353591985 /nfs/dbraw/zinc/59/19/85/353591985.db2.gz HXEWNWOFBJQMIH-HLPPOEQASA-N 2 2 248.414 2.639 20 0 BFADLP Fc1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000035054330 181011272 /nfs/dbraw/zinc/01/12/72/181011272.db2.gz OIUFOOHDFQOGJL-UHFFFAOYSA-N 2 2 248.345 2.542 20 0 BFADLP c1cn2c([nH+]1)[C@H](Nc1cc(C3CC3)cc[nH+]1)CC2 ZINC000334524835 353896602 /nfs/dbraw/zinc/89/66/02/353896602.db2.gz FUWJECRWZMFVQN-GFCCVEGCSA-N 2 2 240.310 2.712 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)C[N@@H+]1C1CC1 ZINC000334540942 353974737 /nfs/dbraw/zinc/97/47/37/353974737.db2.gz NYVWPASYUGZSSC-NEPJUHHUSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)C[N@H+]1C1CC1 ZINC000334540942 353974739 /nfs/dbraw/zinc/97/47/39/353974739.db2.gz NYVWPASYUGZSSC-NEPJUHHUSA-N 2 2 234.387 2.534 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)c1ccc(C)cc1 ZINC000038088671 358482857 /nfs/dbraw/zinc/48/28/57/358482857.db2.gz CYIBOIXJFOVRKF-ZFWWWQNUSA-N 2 2 234.387 2.986 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCCc2ccccc21)[NH+](C)C ZINC000038088750 358483429 /nfs/dbraw/zinc/48/34/29/358483429.db2.gz BINYRFXRKXWVNA-BBRMVZONSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)C1(C[N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000639175136 354192438 /nfs/dbraw/zinc/19/24/38/354192438.db2.gz JFDKVJYSYKLGPF-UHFFFAOYSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)C1(C[N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000639175136 354192439 /nfs/dbraw/zinc/19/24/39/354192439.db2.gz JFDKVJYSYKLGPF-UHFFFAOYSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000344323675 354246821 /nfs/dbraw/zinc/24/68/21/354246821.db2.gz JFINMVZVCOHHPJ-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000344323675 354246824 /nfs/dbraw/zinc/24/68/24/354246824.db2.gz JFINMVZVCOHHPJ-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344324387 354247574 /nfs/dbraw/zinc/24/75/74/354247574.db2.gz KWCLXQHKVDQKGI-ZFWWWQNUSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344324387 354247576 /nfs/dbraw/zinc/24/75/76/354247576.db2.gz KWCLXQHKVDQKGI-ZFWWWQNUSA-N 2 2 232.371 2.567 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344344408 354237591 /nfs/dbraw/zinc/23/75/91/354237591.db2.gz DLQBATZTZUODLG-BBRMVZONSA-N 2 2 246.398 2.821 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344344408 354237592 /nfs/dbraw/zinc/23/75/92/354237592.db2.gz DLQBATZTZUODLG-BBRMVZONSA-N 2 2 246.398 2.821 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CC[C@H](C)C1)CCC2 ZINC000344512015 354292170 /nfs/dbraw/zinc/29/21/70/354292170.db2.gz JUBAULOORKZRGU-UBHSHLNASA-N 2 2 247.386 2.847 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC)CCCC2)C1 ZINC000344668347 354341620 /nfs/dbraw/zinc/34/16/20/354341620.db2.gz KKYBWQLUHVSVQQ-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC)CCCC2)C1 ZINC000344668347 354341622 /nfs/dbraw/zinc/34/16/22/354341622.db2.gz KKYBWQLUHVSVQQ-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]CC2(CC)CCCC2)[C@@H](C)C1 ZINC000344668346 354341862 /nfs/dbraw/zinc/34/18/62/354341862.db2.gz KKYBWQLUHVSVQQ-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+]CC2(CC)CCCC2)[C@@H](C)C1 ZINC000344668346 354341866 /nfs/dbraw/zinc/34/18/66/354341866.db2.gz KKYBWQLUHVSVQQ-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP c1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cs1 ZINC000334733908 354533642 /nfs/dbraw/zinc/53/36/42/354533642.db2.gz ASRCEJXYLYBNLB-UHFFFAOYSA-N 2 2 247.367 2.851 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCC13CCC3)CC2 ZINC000334735910 354536670 /nfs/dbraw/zinc/53/66/70/354536670.db2.gz WAZULKAGXUWIHG-QWHCGFSZSA-N 2 2 245.370 2.510 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000334796312 354550230 /nfs/dbraw/zinc/55/02/30/354550230.db2.gz ZPOJGORFQWLCNR-UKRRQHHQSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000334796312 354550234 /nfs/dbraw/zinc/55/02/34/354550234.db2.gz ZPOJGORFQWLCNR-UKRRQHHQSA-N 2 2 247.386 2.617 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC000335101347 354712120 /nfs/dbraw/zinc/71/21/20/354712120.db2.gz VDKUXVCLHLFXHH-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC000335101347 354712122 /nfs/dbraw/zinc/71/21/22/354712122.db2.gz VDKUXVCLHLFXHH-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](CC(C)C)C1 ZINC000346306639 354890785 /nfs/dbraw/zinc/89/07/85/354890785.db2.gz JRXBOGFSBBPSJP-CQSZACIVSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000346306639 354890787 /nfs/dbraw/zinc/89/07/87/354890787.db2.gz JRXBOGFSBBPSJP-CQSZACIVSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1CC(C)C ZINC000346303802 354891061 /nfs/dbraw/zinc/89/10/61/354891061.db2.gz CDKSFVDTQNPDKJ-AWEZNQCLSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1CC(C)C ZINC000346303802 354891062 /nfs/dbraw/zinc/89/10/62/354891062.db2.gz CDKSFVDTQNPDKJ-AWEZNQCLSA-N 2 2 235.375 2.702 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040502217 358493363 /nfs/dbraw/zinc/49/33/63/358493363.db2.gz WRCDBUWYFUEFTH-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000040502217 358493367 /nfs/dbraw/zinc/49/33/67/358493367.db2.gz WRCDBUWYFUEFTH-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000346616167 354993917 /nfs/dbraw/zinc/99/39/17/354993917.db2.gz ORPREYXPQKRYOH-JMSVASOKSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000346616167 354993920 /nfs/dbraw/zinc/99/39/20/354993920.db2.gz ORPREYXPQKRYOH-JMSVASOKSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](CCc1ccccc1)C[N@@H+]1CCC[NH2+]CC1 ZINC000346685058 355011467 /nfs/dbraw/zinc/01/14/67/355011467.db2.gz IGKRXNBKWZTNRN-HNNXBMFYSA-N 2 2 246.398 2.551 20 0 BFADLP C[C@@H](CCc1ccccc1)C[N@H+]1CCC[NH2+]CC1 ZINC000346685058 355011470 /nfs/dbraw/zinc/01/14/70/355011470.db2.gz IGKRXNBKWZTNRN-HNNXBMFYSA-N 2 2 246.398 2.551 20 0 BFADLP CCC[C@@H](C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000346687619 355012521 /nfs/dbraw/zinc/01/25/21/355012521.db2.gz LXIQNQHCNYTIRH-INIZCTEOSA-N 2 2 246.398 2.866 20 0 BFADLP CCC[C@@H](C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000346687619 355012524 /nfs/dbraw/zinc/01/25/24/355012524.db2.gz LXIQNQHCNYTIRH-INIZCTEOSA-N 2 2 246.398 2.866 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1csc(Cl)c1 ZINC000335182219 355080555 /nfs/dbraw/zinc/08/05/55/355080555.db2.gz SNGIUIXXAFARHY-SCZZXKLOSA-N 2 2 244.791 2.804 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]C2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000346744997 355091184 /nfs/dbraw/zinc/09/11/84/355091184.db2.gz XFKKUBUNVGEICN-ZFWWWQNUSA-N 2 2 244.382 2.606 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+]C2(c3ccccc3)CC2)[C@@H](C)C1 ZINC000346744997 355091187 /nfs/dbraw/zinc/09/11/87/355091187.db2.gz XFKKUBUNVGEICN-ZFWWWQNUSA-N 2 2 244.382 2.606 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414113837 191449257 /nfs/dbraw/zinc/44/92/57/191449257.db2.gz YZSNRLUMCQKUHI-MPKXVKKWSA-N 2 2 218.344 2.567 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000415024963 191654986 /nfs/dbraw/zinc/65/49/86/191654986.db2.gz ZGXKXOKIDLBVHV-RYUDHWBXSA-N 2 2 244.338 2.772 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414943219 191629600 /nfs/dbraw/zinc/62/96/00/191629600.db2.gz CRVFLVQHCJNIAP-CZUORRHYSA-N 2 2 246.398 2.899 20 0 BFADLP [NH3+]CC[C@H]([NH2+]CC1CCCCCC1)C(F)F ZINC000414986512 191641648 /nfs/dbraw/zinc/64/16/48/191641648.db2.gz HOEJJUOJJKYYRG-NSHDSACASA-N 2 2 234.334 2.529 20 0 BFADLP CCc1cc[nH+]cc1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000639297096 355601051 /nfs/dbraw/zinc/60/10/51/355601051.db2.gz ZDRIEACORMSXDF-AAEUAGOBSA-N 2 2 233.359 2.539 20 0 BFADLP CCc1cc[nH+]cc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639297096 355601054 /nfs/dbraw/zinc/60/10/54/355601054.db2.gz ZDRIEACORMSXDF-AAEUAGOBSA-N 2 2 233.359 2.539 20 0 BFADLP C[C@H](C[N@H+](C)CC1C[NH+](C)C1)C1CCCCC1 ZINC000639309294 355664363 /nfs/dbraw/zinc/66/43/63/355664363.db2.gz JICQZZAHNPNKIG-CYBMUJFWSA-N 2 2 238.419 2.696 20 0 BFADLP C[C@H](C[N@@H+](C)CC1C[NH+](C)C1)C1CCCCC1 ZINC000639309294 355664367 /nfs/dbraw/zinc/66/43/67/355664367.db2.gz JICQZZAHNPNKIG-CYBMUJFWSA-N 2 2 238.419 2.696 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389166570 355741437 /nfs/dbraw/zinc/74/14/37/355741437.db2.gz MSIMRTUNJXDXQZ-HZPDHXFCSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389166570 355741438 /nfs/dbraw/zinc/74/14/38/355741438.db2.gz MSIMRTUNJXDXQZ-HZPDHXFCSA-N 2 2 246.398 2.692 20 0 BFADLP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000639351828 355800502 /nfs/dbraw/zinc/80/05/02/355800502.db2.gz KTOVTJYHOQISSF-FQLMCAECSA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000639351828 355800506 /nfs/dbraw/zinc/80/05/06/355800506.db2.gz KTOVTJYHOQISSF-FQLMCAECSA-N 2 2 248.414 2.639 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166877324 355860720 /nfs/dbraw/zinc/86/07/20/355860720.db2.gz XMDFKVWXRPPNOA-KGLIPLIRSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166877324 355860723 /nfs/dbraw/zinc/86/07/23/355860723.db2.gz XMDFKVWXRPPNOA-KGLIPLIRSA-N 2 2 224.392 2.805 20 0 BFADLP c1[nH+]c2c(n1[C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCCC2 ZINC000628371549 355895175 /nfs/dbraw/zinc/89/51/75/355895175.db2.gz NAAPKOSRYABHPB-QWHCGFSZSA-N 2 2 245.370 2.561 20 0 BFADLP c1[nH+]c2c(n1[C@@H]1CC[N@H+]3CCC[C@H]3C1)CCCC2 ZINC000628371549 355895179 /nfs/dbraw/zinc/89/51/79/355895179.db2.gz NAAPKOSRYABHPB-QWHCGFSZSA-N 2 2 245.370 2.561 20 0 BFADLP CCC(F)(F)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000639476209 356270601 /nfs/dbraw/zinc/27/06/01/356270601.db2.gz BUULWUYUXTZPRO-LLVKDONJSA-N 2 2 243.301 2.565 20 0 BFADLP CCC(F)(F)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000639476209 356270604 /nfs/dbraw/zinc/27/06/04/356270604.db2.gz BUULWUYUXTZPRO-LLVKDONJSA-N 2 2 243.301 2.565 20 0 BFADLP CCC(F)(F)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000639476210 356270750 /nfs/dbraw/zinc/27/07/50/356270750.db2.gz BUULWUYUXTZPRO-NSHDSACASA-N 2 2 243.301 2.565 20 0 BFADLP CCC(F)(F)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000639476210 356270752 /nfs/dbraw/zinc/27/07/52/356270752.db2.gz BUULWUYUXTZPRO-NSHDSACASA-N 2 2 243.301 2.565 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000087473365 491088753 /nfs/dbraw/zinc/08/87/53/491088753.db2.gz KMQPXAKIAABFGE-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000087473365 491088755 /nfs/dbraw/zinc/08/87/55/491088755.db2.gz KMQPXAKIAABFGE-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000420295643 192204043 /nfs/dbraw/zinc/20/40/43/192204043.db2.gz CJEHLYDHGJOTTL-BMFZPTHFSA-N 2 2 246.398 2.992 20 0 BFADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](C)[NH3+] ZINC000420295643 192204045 /nfs/dbraw/zinc/20/40/45/192204045.db2.gz CJEHLYDHGJOTTL-BMFZPTHFSA-N 2 2 246.398 2.992 20 0 BFADLP [NH3+][C@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420273027 192197465 /nfs/dbraw/zinc/19/74/65/192197465.db2.gz MZVPRJBFYLGUJG-DZGCQCFKSA-N 2 2 248.345 2.626 20 0 BFADLP [NH3+][C@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420273027 192197468 /nfs/dbraw/zinc/19/74/68/192197468.db2.gz MZVPRJBFYLGUJG-DZGCQCFKSA-N 2 2 248.345 2.626 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000420284963 192199900 /nfs/dbraw/zinc/19/99/00/192199900.db2.gz DEUXBGHCJDUKCW-SNVBAGLBSA-N 2 2 238.297 2.532 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@H+]1CCCCC(F)(F)F ZINC000420284963 192199902 /nfs/dbraw/zinc/19/99/02/192199902.db2.gz DEUXBGHCJDUKCW-SNVBAGLBSA-N 2 2 238.297 2.532 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000037320279 356355960 /nfs/dbraw/zinc/35/59/60/356355960.db2.gz VUINRHYKGYIISM-KGLIPLIRSA-N 2 2 243.354 2.931 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1 ZINC000420367220 192225928 /nfs/dbraw/zinc/22/59/28/192225928.db2.gz MUVLAACELALRKA-XJKCOSOUSA-N 2 2 246.398 2.725 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352810969 356418593 /nfs/dbraw/zinc/41/85/93/356418593.db2.gz QSVNCWRPDQSYQA-NEBZKDRISA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352810969 356418597 /nfs/dbraw/zinc/41/85/97/356418597.db2.gz QSVNCWRPDQSYQA-NEBZKDRISA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000420398869 192238373 /nfs/dbraw/zinc/23/83/73/192238373.db2.gz HDPBRBNUFUKOKJ-HTQZYQBOSA-N 2 2 247.169 2.991 20 0 BFADLP COCC1([N@H+](C)Cc2c(C)cc(C)[nH+]c2C)CC1 ZINC000639551140 356432484 /nfs/dbraw/zinc/43/24/84/356432484.db2.gz HFXORBMUHKVYFR-UHFFFAOYSA-N 2 2 248.370 2.618 20 0 BFADLP COCC1([N@@H+](C)Cc2c(C)cc(C)[nH+]c2C)CC1 ZINC000639551140 356432487 /nfs/dbraw/zinc/43/24/87/356432487.db2.gz HFXORBMUHKVYFR-UHFFFAOYSA-N 2 2 248.370 2.618 20 0 BFADLP C[C@H]1c2ccccc2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000179460348 366260470 /nfs/dbraw/zinc/26/04/70/366260470.db2.gz QGEBZVNXJXRORQ-ZDUSSCGKSA-N 2 2 241.338 2.502 20 0 BFADLP CC[C@@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179696759 366286810 /nfs/dbraw/zinc/28/68/10/366286810.db2.gz WMPJDKZGUQADGV-LLVKDONJSA-N 2 2 217.316 2.565 20 0 BFADLP CC[C@@H](C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179696759 366286816 /nfs/dbraw/zinc/28/68/16/366286816.db2.gz WMPJDKZGUQADGV-LLVKDONJSA-N 2 2 217.316 2.565 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1CNc1cc(C)cc[nH+]1 ZINC000301668548 356560637 /nfs/dbraw/zinc/56/06/37/356560637.db2.gz XYWSGDHFXFSXJX-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP CC[N@H+]1CCCC[C@H]1CNc1cc(C)cc[nH+]1 ZINC000301668548 356560641 /nfs/dbraw/zinc/56/06/41/356560641.db2.gz XYWSGDHFXFSXJX-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CC2(C1)CCCCC2 ZINC000421329157 192318136 /nfs/dbraw/zinc/31/81/36/192318136.db2.gz UWRAKAXTYYMJAS-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CC2(C1)CCCCC2 ZINC000421329157 192318137 /nfs/dbraw/zinc/31/81/37/192318137.db2.gz UWRAKAXTYYMJAS-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC2(C1)CCCCC2 ZINC000421353576 192320568 /nfs/dbraw/zinc/32/05/68/192320568.db2.gz GJIPKOVIHDEMSF-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336103021 535322791 /nfs/dbraw/zinc/32/27/91/535322791.db2.gz DRJSPOIFCOEVAW-RUXDESIVSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179883461 366329252 /nfs/dbraw/zinc/32/92/52/366329252.db2.gz ZLNUDPMPQYUELK-ZDUSSCGKSA-N 2 2 243.354 2.956 20 0 BFADLP C[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179883461 366329256 /nfs/dbraw/zinc/32/92/56/366329256.db2.gz ZLNUDPMPQYUELK-ZDUSSCGKSA-N 2 2 243.354 2.956 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623337146 356730106 /nfs/dbraw/zinc/73/01/06/356730106.db2.gz XMMAWGUZJWZVJB-OLZOCXBDSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623337146 356730107 /nfs/dbraw/zinc/73/01/07/356730107.db2.gz XMMAWGUZJWZVJB-OLZOCXBDSA-N 2 2 247.386 2.605 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2)c2ccccc12 ZINC000423167944 192603992 /nfs/dbraw/zinc/60/39/92/192603992.db2.gz GGPXBVXMPUWLRN-CQSZACIVSA-N 2 2 240.350 2.600 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000389517285 356901138 /nfs/dbraw/zinc/90/11/38/356901138.db2.gz GGYNWOKPHYJBCM-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000389517285 356901142 /nfs/dbraw/zinc/90/11/42/356901142.db2.gz GGYNWOKPHYJBCM-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423197069 192622674 /nfs/dbraw/zinc/62/26/74/192622674.db2.gz XPTXBJPJSWREEV-BLLLJJGKSA-N 2 2 244.382 2.967 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389557484 356990918 /nfs/dbraw/zinc/99/09/18/356990918.db2.gz SFEJYOLZANXSHJ-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389557484 356990921 /nfs/dbraw/zinc/99/09/21/356990921.db2.gz SFEJYOLZANXSHJ-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000389578952 356994886 /nfs/dbraw/zinc/99/48/86/356994886.db2.gz XQQFDPNOQGSGTM-DVOMOZLQSA-N 2 2 244.382 2.919 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000389578952 356994889 /nfs/dbraw/zinc/99/48/89/356994889.db2.gz XQQFDPNOQGSGTM-DVOMOZLQSA-N 2 2 244.382 2.919 20 0 BFADLP CCCc1ccc([C@@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000021953694 357054555 /nfs/dbraw/zinc/05/45/55/357054555.db2.gz MERIQZQCTKSZPF-CYBMUJFWSA-N 2 2 234.387 2.851 20 0 BFADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CCC2 ZINC000423232157 192642716 /nfs/dbraw/zinc/64/27/16/192642716.db2.gz HQASPQBTHGAINA-HIFRSBDPSA-N 2 2 248.345 2.545 20 0 BFADLP CC(C)CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 ZINC000304283267 357160919 /nfs/dbraw/zinc/16/09/19/357160919.db2.gz FQPWPLBFGLKLEA-JSGCOSHPSA-N 2 2 226.408 2.741 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000390767672 357115882 /nfs/dbraw/zinc/11/58/82/357115882.db2.gz SFYRTFWOFMZZSF-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000390767672 357115886 /nfs/dbraw/zinc/11/58/86/357115886.db2.gz SFYRTFWOFMZZSF-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000222005618 357224986 /nfs/dbraw/zinc/22/49/86/357224986.db2.gz NEDHMJBUQOIWRX-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000222005618 357224989 /nfs/dbraw/zinc/22/49/89/357224989.db2.gz NEDHMJBUQOIWRX-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@]1(C(C)C)C[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000582497661 357327557 /nfs/dbraw/zinc/32/75/57/357327557.db2.gz AICRWVKHQIPQKM-UONOGXRCSA-N 2 2 235.375 2.643 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000582676616 357363880 /nfs/dbraw/zinc/36/38/80/357363880.db2.gz HQEHYZAGWVXPPJ-KBPBESRZSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000157797958 538840473 /nfs/dbraw/zinc/84/04/73/538840473.db2.gz NPAACDKLQMEUON-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000157797958 538840481 /nfs/dbraw/zinc/84/04/81/538840481.db2.gz NPAACDKLQMEUON-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@H+](C)C1CC1 ZINC000230394575 357533458 /nfs/dbraw/zinc/53/34/58/357533458.db2.gz GWCMVMFJEHVJQA-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000230394575 357533462 /nfs/dbraw/zinc/53/34/62/357533462.db2.gz GWCMVMFJEHVJQA-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP c1cn(CCC[NH2+][C@@H]2CCC23CCCC3)c[nH+]1 ZINC000189034561 357600451 /nfs/dbraw/zinc/60/04/51/357600451.db2.gz VOLCBNAPBJQDOB-CYBMUJFWSA-N 2 2 233.359 2.586 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCCC2(C)C)CC1 ZINC000397751397 357675532 /nfs/dbraw/zinc/67/55/32/357675532.db2.gz DSDGGTQVQQEALM-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)C1(CNc2[nH+]ccc3ccccc32)CC1 ZINC000397860363 357741236 /nfs/dbraw/zinc/74/12/36/357741236.db2.gz OEBPOWXNZWIVDV-UHFFFAOYSA-N 2 2 241.338 2.741 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000235298331 357852736 /nfs/dbraw/zinc/85/27/36/357852736.db2.gz ZOEJWCWRIPQKTI-VXGBXAGGSA-N 2 2 226.408 2.741 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC000235386737 357860135 /nfs/dbraw/zinc/86/01/35/357860135.db2.gz UGKZIUHYEJAHTM-DZGCQCFKSA-N 2 2 236.403 2.664 20 0 BFADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000235574651 357880394 /nfs/dbraw/zinc/88/03/94/357880394.db2.gz ZOEJWCWRIPQKTI-NWDGAFQWSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000168616049 134231995 /nfs/dbraw/zinc/23/19/95/134231995.db2.gz ZCTIMBVEGNCSNJ-KBPBESRZSA-N 2 2 234.387 2.720 20 0 BFADLP C(C1CCCC1)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000020386218 357932656 /nfs/dbraw/zinc/93/26/56/357932656.db2.gz CHNARMOMLAMTIQ-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCC1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000020386218 357932660 /nfs/dbraw/zinc/93/26/60/357932660.db2.gz CHNARMOMLAMTIQ-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000583806563 357954744 /nfs/dbraw/zinc/95/47/44/357954744.db2.gz YKYUNFGFNZOLPW-VQISRLSMSA-N 2 2 248.345 2.543 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000219160399 535384609 /nfs/dbraw/zinc/38/46/09/535384609.db2.gz GCHSDNYESONTLY-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000171744988 134260657 /nfs/dbraw/zinc/26/06/57/134260657.db2.gz KDWZGLLPZKEUMW-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000171744988 134260658 /nfs/dbraw/zinc/26/06/58/134260658.db2.gz KDWZGLLPZKEUMW-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP c1csc([C@H]([NH2+]CCn2cc[nH+]c2)C2CC2)c1 ZINC000042331676 358521380 /nfs/dbraw/zinc/52/13/80/358521380.db2.gz KIFGFDQJYPJJPQ-CYBMUJFWSA-N 2 2 247.367 2.686 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000129043405 358584064 /nfs/dbraw/zinc/58/40/64/358584064.db2.gz JGFFQAGKQUZUGV-CABCVRRESA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000044686892 358551959 /nfs/dbraw/zinc/55/19/59/358551959.db2.gz LTEWARPQBIZDRO-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000044686892 358551962 /nfs/dbraw/zinc/55/19/62/358551962.db2.gz LTEWARPQBIZDRO-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000044684324 358552406 /nfs/dbraw/zinc/55/24/06/358552406.db2.gz QQLCVIRHBOCEML-RISCZKNCSA-N 2 2 248.345 2.713 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000044684324 358552408 /nfs/dbraw/zinc/55/24/08/358552408.db2.gz QQLCVIRHBOCEML-RISCZKNCSA-N 2 2 248.345 2.713 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000134101621 358780515 /nfs/dbraw/zinc/78/05/15/358780515.db2.gz RPMDWOWTQCQQQX-KKUMJFAQSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000134101621 358780516 /nfs/dbraw/zinc/78/05/16/358780516.db2.gz RPMDWOWTQCQQQX-KKUMJFAQSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000134102043 358780977 /nfs/dbraw/zinc/78/09/77/358780977.db2.gz RPMDWOWTQCQQQX-SOUVJXGZSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000134102043 358780978 /nfs/dbraw/zinc/78/09/78/358780978.db2.gz RPMDWOWTQCQQQX-SOUVJXGZSA-N 2 2 236.403 2.663 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000054080982 358850538 /nfs/dbraw/zinc/85/05/38/358850538.db2.gz XTEXEUITGOHLCO-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000054080982 358850540 /nfs/dbraw/zinc/85/05/40/358850540.db2.gz XTEXEUITGOHLCO-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000054110745 358852085 /nfs/dbraw/zinc/85/20/85/358852085.db2.gz GFPVQQIJGGWEFR-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000054110745 358852088 /nfs/dbraw/zinc/85/20/88/358852088.db2.gz GFPVQQIJGGWEFR-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000054109741 358853367 /nfs/dbraw/zinc/85/33/67/358853367.db2.gz PCAKJRWBZURFJL-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000054109741 358853371 /nfs/dbraw/zinc/85/33/71/358853371.db2.gz PCAKJRWBZURFJL-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@]1(C2CCCCC2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000640220333 358894134 /nfs/dbraw/zinc/89/41/34/358894134.db2.gz SWSMTOYGMVNFCR-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP C[C@@]1(C2CCCCC2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000640220333 358894135 /nfs/dbraw/zinc/89/41/35/358894135.db2.gz SWSMTOYGMVNFCR-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC000177342355 134299245 /nfs/dbraw/zinc/29/92/45/134299245.db2.gz HYGRRSYFLLISTF-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC000177342355 134299246 /nfs/dbraw/zinc/29/92/46/134299246.db2.gz HYGRRSYFLLISTF-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC000177342355 134299247 /nfs/dbraw/zinc/29/92/47/134299247.db2.gz HYGRRSYFLLISTF-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC000177342355 134299248 /nfs/dbraw/zinc/29/92/48/134299248.db2.gz HYGRRSYFLLISTF-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC(C)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000071198591 359074287 /nfs/dbraw/zinc/07/42/87/359074287.db2.gz IAHFWEHCXZTXHP-ZFWWWQNUSA-N 2 2 232.371 2.820 20 0 BFADLP CC(C)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000071198591 359074291 /nfs/dbraw/zinc/07/42/91/359074291.db2.gz IAHFWEHCXZTXHP-ZFWWWQNUSA-N 2 2 232.371 2.820 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000247045900 359189543 /nfs/dbraw/zinc/18/95/43/359189543.db2.gz MYVXDTJBIKWXAJ-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CCC1 ZINC000247045900 359189544 /nfs/dbraw/zinc/18/95/44/359189544.db2.gz MYVXDTJBIKWXAJ-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000246798589 359164923 /nfs/dbraw/zinc/16/49/23/359164923.db2.gz AZKRATHEBOTWKD-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000246798589 359164926 /nfs/dbraw/zinc/16/49/26/359164926.db2.gz AZKRATHEBOTWKD-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC000246878374 359172527 /nfs/dbraw/zinc/17/25/27/359172527.db2.gz DVECAHYUFANOCW-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC000246878374 359172530 /nfs/dbraw/zinc/17/25/30/359172530.db2.gz DVECAHYUFANOCW-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423441012 192770474 /nfs/dbraw/zinc/77/04/74/192770474.db2.gz IXNNAVBJYWRDKC-JBLDHEPKSA-N 2 2 236.359 2.618 20 0 BFADLP C/C=C/C[C@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628495143 359696577 /nfs/dbraw/zinc/69/65/77/359696577.db2.gz JLXXYPFNNSPMMC-NNTXTVRGSA-N 2 2 247.386 2.907 20 0 BFADLP CC(C)C1([NH2+]CC[N@H+](C)Cc2ccccc2)CC1 ZINC000451072007 202346637 /nfs/dbraw/zinc/34/66/37/202346637.db2.gz NFZSTSZFOMNCGF-UHFFFAOYSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C1([NH2+]CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000451072007 202346639 /nfs/dbraw/zinc/34/66/39/202346639.db2.gz NFZSTSZFOMNCGF-UHFFFAOYSA-N 2 2 246.398 2.897 20 0 BFADLP c1[nH+]c2c(n1CCC[NH+]1CCCCC1)CCCC2 ZINC000451193131 202375347 /nfs/dbraw/zinc/37/53/47/202375347.db2.gz XHQCRESYGGHMFU-UHFFFAOYSA-N 2 2 247.386 2.638 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000089609552 360029993 /nfs/dbraw/zinc/02/99/93/360029993.db2.gz AZKRATHEBOTWKD-MGPQQGTHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000089609552 360029997 /nfs/dbraw/zinc/02/99/97/360029997.db2.gz AZKRATHEBOTWKD-MGPQQGTHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000089605504 360030192 /nfs/dbraw/zinc/03/01/92/360030192.db2.gz UZYIKBLPLBYLDX-KGLIPLIRSA-N 2 2 235.375 2.689 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000089607759 360030226 /nfs/dbraw/zinc/03/02/26/360030226.db2.gz CWXUYHWVPPMRPH-RDBSUJKOSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)o2)CC[N@@H+]1C ZINC000090720207 360085545 /nfs/dbraw/zinc/08/55/45/360085545.db2.gz WGMYGUMUZJDSER-NXEZZACHSA-N 2 2 242.750 2.505 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)o2)CC[N@H+]1C ZINC000090720207 360085547 /nfs/dbraw/zinc/08/55/47/360085547.db2.gz WGMYGUMUZJDSER-NXEZZACHSA-N 2 2 242.750 2.505 20 0 BFADLP c1csc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073787 360149880 /nfs/dbraw/zinc/14/98/80/360149880.db2.gz FPGSKLVHFDETLC-LLVKDONJSA-N 2 2 247.367 2.851 20 0 BFADLP c1csc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073787 360149886 /nfs/dbraw/zinc/14/98/86/360149886.db2.gz FPGSKLVHFDETLC-LLVKDONJSA-N 2 2 247.367 2.851 20 0 BFADLP CC[C@H](C)C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000093064951 360213661 /nfs/dbraw/zinc/21/36/61/360213661.db2.gz RCVKSPBKACIXHB-AWEZNQCLSA-N 2 2 234.387 2.754 20 0 BFADLP CC[C@H](C)C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000093064951 360213665 /nfs/dbraw/zinc/21/36/65/360213665.db2.gz RCVKSPBKACIXHB-AWEZNQCLSA-N 2 2 234.387 2.754 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000094307923 360302886 /nfs/dbraw/zinc/30/28/86/360302886.db2.gz GGPYRCFMGSOIFT-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP CCn1c[nH+]cc1CNc1ccc(C)[nH+]c1C ZINC000094664714 360313775 /nfs/dbraw/zinc/31/37/75/360313775.db2.gz SRPLMBMGBJOJHJ-UHFFFAOYSA-N 2 2 230.315 2.527 20 0 BFADLP C[C@H](C[NH2+]CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000097927832 360382157 /nfs/dbraw/zinc/38/21/57/360382157.db2.gz JFKGPTUZQGPHLU-CQSZACIVSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H]1CCC[C@H](C[NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097928282 360382255 /nfs/dbraw/zinc/38/22/55/360382255.db2.gz YBWAEYMSUGRGJI-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[C@H](C)C1[NH2+]CC1([NH+](C)C)CCC1 ZINC000097929063 360383656 /nfs/dbraw/zinc/38/36/56/360383656.db2.gz WYURSYRPZSQRKH-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C ZINC000449064896 200720627 /nfs/dbraw/zinc/72/06/27/200720627.db2.gz WUPUQWVGNOJVTD-MGPQQGTHSA-N 2 2 235.375 2.688 20 0 BFADLP Cc1c[nH+]ccc1Cn1cc[nH+]c1C1CC1 ZINC000629259847 360982217 /nfs/dbraw/zinc/98/22/17/360982217.db2.gz YMKNFUOMUXDYPQ-UHFFFAOYSA-N 2 2 213.284 2.512 20 0 BFADLP Cc1cc(Cn2cc[nH+]c2C2CC2)cc[nH+]1 ZINC000629259804 360982530 /nfs/dbraw/zinc/98/25/30/360982530.db2.gz WSLHHUCPFXDAKS-UHFFFAOYSA-N 2 2 213.284 2.512 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000629389325 361036779 /nfs/dbraw/zinc/03/67/79/361036779.db2.gz WOSUPZSNIMKLBX-VUBDOFJKSA-N 2 2 248.345 2.569 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC000629395708 361044277 /nfs/dbraw/zinc/04/42/77/361044277.db2.gz QFHMRSLFAYCBIQ-IUODEOHRSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(C)c1 ZINC000629395668 361044377 /nfs/dbraw/zinc/04/43/77/361044377.db2.gz POXYHHTVKDTMFC-GJZGRUSLSA-N 2 2 246.398 2.842 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(C)cc(C)c1 ZINC000629390659 361045527 /nfs/dbraw/zinc/04/55/27/361045527.db2.gz KNMHEGYIRMZHBA-LSDHHAIUSA-N 2 2 232.371 2.534 20 0 BFADLP CCc1nc(C(C)C)ccc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000629509334 361103040 /nfs/dbraw/zinc/10/30/40/361103040.db2.gz CGZSSRLXSHDQGI-LBPRGKRZSA-N 2 2 249.402 2.546 20 0 BFADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000629509334 361103046 /nfs/dbraw/zinc/10/30/46/361103046.db2.gz CGZSSRLXSHDQGI-LBPRGKRZSA-N 2 2 249.402 2.546 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000414978124 219885790 /nfs/dbraw/zinc/88/57/90/219885790.db2.gz LLDLPPDKJAURHY-SNVBAGLBSA-N 2 2 247.169 2.820 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1 ZINC000629523298 361124131 /nfs/dbraw/zinc/12/41/31/361124131.db2.gz DBZBYDZGFRKTQM-VHDGCEQUSA-N 2 2 232.371 2.786 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CC[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000428458326 201019906 /nfs/dbraw/zinc/01/99/06/201019906.db2.gz KVXLHDNWRFHRRI-JSGCOSHPSA-N 2 2 241.338 2.709 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CC[C@@H]3CCC[C@@H]32)[nH+]1 ZINC000428458326 201019907 /nfs/dbraw/zinc/01/99/07/201019907.db2.gz KVXLHDNWRFHRRI-JSGCOSHPSA-N 2 2 241.338 2.709 20 0 BFADLP Cc1ccc(C)c(C[N@H+](C)CCn2cc[nH+]c2)c1 ZINC000429309708 201099146 /nfs/dbraw/zinc/09/91/46/201099146.db2.gz NNJDDBPSAXKPJM-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP Cc1ccc(C)c(C[N@@H+](C)CCn2cc[nH+]c2)c1 ZINC000429309708 201099149 /nfs/dbraw/zinc/09/91/49/201099149.db2.gz NNJDDBPSAXKPJM-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C[NH2+]1 ZINC000629538623 361403750 /nfs/dbraw/zinc/40/37/50/361403750.db2.gz OTOKSIMOYIZZNV-WDBKCZKBSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534818 361408342 /nfs/dbraw/zinc/40/83/42/361408342.db2.gz AYBJBDWFUGOUMG-UNIGVISCSA-N 2 2 244.382 2.650 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000629544304 361421997 /nfs/dbraw/zinc/42/19/97/361421997.db2.gz JHIYZNICYZVOJO-COLVAYQJSA-N 2 2 248.345 2.617 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000629544900 361424229 /nfs/dbraw/zinc/42/42/29/361424229.db2.gz HFHKDZOVMRVGRF-YWPYICTPSA-N 2 2 230.355 2.577 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629545138 361424289 /nfs/dbraw/zinc/42/42/89/361424289.db2.gz ABIIZSHRFKJJOF-KCQAQPDRSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)c1 ZINC000629546377 361427486 /nfs/dbraw/zinc/42/74/86/361427486.db2.gz TYEGUFTXXLGMBP-VNHYZAJKSA-N 2 2 232.371 2.704 20 0 BFADLP CCC[N@H+](CCC(C)(C)CC)[C@H]1CC[NH2+]C1 ZINC000430950451 201159021 /nfs/dbraw/zinc/15/90/21/201159021.db2.gz HVWGUCOYRXDSDI-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[N@@H+](CCC(C)(C)CC)[C@H]1CC[NH2+]C1 ZINC000430950451 201159024 /nfs/dbraw/zinc/15/90/24/201159024.db2.gz HVWGUCOYRXDSDI-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[N@H+](CCC(C)(C)CC)[C@@H]1CC[NH2+]C1 ZINC000430950450 201160053 /nfs/dbraw/zinc/16/00/53/201160053.db2.gz HVWGUCOYRXDSDI-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[N@@H+](CCC(C)(C)CC)[C@@H]1CC[NH2+]C1 ZINC000430950450 201160057 /nfs/dbraw/zinc/16/00/57/201160057.db2.gz HVWGUCOYRXDSDI-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CCc1nc(C(C)C)ccc1C[N@H+](CC)CC[NH3+] ZINC000629558381 361452861 /nfs/dbraw/zinc/45/28/61/361452861.db2.gz GSTHUQVPIBFAAJ-UHFFFAOYSA-N 2 2 249.402 2.548 20 0 BFADLP CCc1nc(C(C)C)ccc1C[N@@H+](CC)CC[NH3+] ZINC000629558381 361452865 /nfs/dbraw/zinc/45/28/65/361452865.db2.gz GSTHUQVPIBFAAJ-UHFFFAOYSA-N 2 2 249.402 2.548 20 0 BFADLP C[NH2+]c1ccc(NC[C@@H]([NH3+])CC(C)C)cc1 ZINC000629657206 361561466 /nfs/dbraw/zinc/56/14/66/361561466.db2.gz UVDFMCCLEGUSNM-NSHDSACASA-N 2 2 221.348 2.514 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C[NH2+]1 ZINC000629660254 361564852 /nfs/dbraw/zinc/56/48/52/361564852.db2.gz QSTDXXINPMRPOD-MLGOLLRUSA-N 2 2 244.382 2.794 20 0 BFADLP CCCc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629660824 361566235 /nfs/dbraw/zinc/56/62/35/361566235.db2.gz ZVHGAAVBRNPQIX-XJKSGUPXSA-N 2 2 246.398 2.869 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629649823 361546494 /nfs/dbraw/zinc/54/64/94/361546494.db2.gz HSIOUIFJDMTYKG-GRYCIOLGSA-N 2 2 248.361 2.583 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629649823 361546499 /nfs/dbraw/zinc/54/64/99/361546499.db2.gz HSIOUIFJDMTYKG-GRYCIOLGSA-N 2 2 248.361 2.583 20 0 BFADLP C1=CC[C@H](C[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434796479 201241998 /nfs/dbraw/zinc/24/19/98/201241998.db2.gz UILKYJDOHNFATF-HOCLYGCPSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@H](C[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434796479 201242001 /nfs/dbraw/zinc/24/20/01/201242001.db2.gz UILKYJDOHNFATF-HOCLYGCPSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000434762309 201239678 /nfs/dbraw/zinc/23/96/78/201239678.db2.gz AIOLAANDGOEUJJ-AGIUHOORSA-N 2 2 247.386 2.612 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434785434 201240649 /nfs/dbraw/zinc/24/06/49/201240649.db2.gz OAVQJNIQDCHQDM-UMVBOHGHSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434785434 201240652 /nfs/dbraw/zinc/24/06/52/201240652.db2.gz OAVQJNIQDCHQDM-UMVBOHGHSA-N 2 2 236.403 2.782 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@@]23C[C@@H]2CCCC3)[nH+]1 ZINC000631227640 361664581 /nfs/dbraw/zinc/66/45/81/361664581.db2.gz SGASKQQVJZXRKH-WFASDCNBSA-N 2 2 241.338 2.757 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154602297 201286584 /nfs/dbraw/zinc/28/65/84/201286584.db2.gz CXHMZXGOFLUAIZ-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154602297 201286586 /nfs/dbraw/zinc/28/65/86/201286586.db2.gz CXHMZXGOFLUAIZ-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000381545679 541354423 /nfs/dbraw/zinc/35/44/23/541354423.db2.gz KEHSOXLUJQNBQO-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000381545679 541354428 /nfs/dbraw/zinc/35/44/28/541354428.db2.gz KEHSOXLUJQNBQO-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CCCc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000619771198 364402850 /nfs/dbraw/zinc/40/28/50/364402850.db2.gz VCPIFFITMCMGBS-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000619771198 364402854 /nfs/dbraw/zinc/40/28/54/364402854.db2.gz VCPIFFITMCMGBS-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000084329166 541360358 /nfs/dbraw/zinc/36/03/58/541360358.db2.gz YQXGXXJGYVKJIW-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000084329166 541360363 /nfs/dbraw/zinc/36/03/63/541360363.db2.gz YQXGXXJGYVKJIW-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP c1cn(CCCC[NH2+][C@H]2CCC23CCC3)c[nH+]1 ZINC000554561237 364688721 /nfs/dbraw/zinc/68/87/21/364688721.db2.gz OQQWWMPXGBJQGU-ZDUSSCGKSA-N 2 2 233.359 2.586 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2CCC23CCC3)c[nH+]1 ZINC000554561236 364689005 /nfs/dbraw/zinc/68/90/05/364689005.db2.gz OQQWWMPXGBJQGU-CYBMUJFWSA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC000398998769 364668706 /nfs/dbraw/zinc/66/87/06/364668706.db2.gz ASESSAVOVDYDDZ-SNPRPXQTSA-N 2 2 232.371 2.868 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000252452269 364669283 /nfs/dbraw/zinc/66/92/83/364669283.db2.gz ZMGBPGNHGOCJPQ-UUMOCBLWSA-N 2 2 244.382 2.902 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C/C=C\c1ccccc1 ZINC000252452269 364669284 /nfs/dbraw/zinc/66/92/84/364669284.db2.gz ZMGBPGNHGOCJPQ-UUMOCBLWSA-N 2 2 244.382 2.902 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C[NH2+]1 ZINC000399064090 364762620 /nfs/dbraw/zinc/76/26/20/364762620.db2.gz AUXJYHUBPIRTGA-IVMMDQJWSA-N 2 2 244.382 2.794 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000336898044 364852997 /nfs/dbraw/zinc/85/29/97/364852997.db2.gz QBLUJCCMRZEEQM-SMDDNHRTSA-N 2 2 236.334 2.571 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC000336898044 364853000 /nfs/dbraw/zinc/85/30/00/364853000.db2.gz QBLUJCCMRZEEQM-SMDDNHRTSA-N 2 2 236.334 2.571 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)n1C ZINC000573935088 364950874 /nfs/dbraw/zinc/95/08/74/364950874.db2.gz BNWOVEFPQVOJRQ-DGCLKSJQSA-N 2 2 235.375 2.644 20 0 BFADLP C[N@H+](CCNc1[nH+]ccc2ccccc21)C1CC1 ZINC000168682586 364988802 /nfs/dbraw/zinc/98/88/02/364988802.db2.gz FCQGVRSNICRIOV-UHFFFAOYSA-N 2 2 241.338 2.741 20 0 BFADLP C[N@@H+](CCNc1[nH+]ccc2ccccc21)C1CC1 ZINC000168682586 364988805 /nfs/dbraw/zinc/98/88/05/364988805.db2.gz FCQGVRSNICRIOV-UHFFFAOYSA-N 2 2 241.338 2.741 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@@H](F)C1 ZINC000574847274 365158576 /nfs/dbraw/zinc/15/85/76/365158576.db2.gz YWWZCYGRBUTISB-KGLIPLIRSA-N 2 2 236.334 2.803 20 0 BFADLP C[C@H](CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)CC(C)(C)C ZINC000443008407 193009924 /nfs/dbraw/zinc/00/99/24/193009924.db2.gz FVKOAXMIWFZIQQ-RDBSUJKOSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@H](CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)CC(C)(C)C ZINC000443008407 193009927 /nfs/dbraw/zinc/00/99/27/193009927.db2.gz FVKOAXMIWFZIQQ-RDBSUJKOSA-N 2 2 240.435 2.989 20 0 BFADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]CC1CC1)[NH+](C)C ZINC000443002799 193010674 /nfs/dbraw/zinc/01/06/74/193010674.db2.gz BCQBVMCQDINCOC-BBRMVZONSA-N 2 2 246.398 2.986 20 0 BFADLP Cc1cc[nH+]c(NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000443945353 193032088 /nfs/dbraw/zinc/03/20/88/193032088.db2.gz JBJVCDIQBGUYNF-UHFFFAOYSA-N 2 2 247.386 2.924 20 0 BFADLP CC[C@]1(C)CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182802721 366944081 /nfs/dbraw/zinc/94/40/81/366944081.db2.gz KLGISPRALUAKRB-CQSZACIVSA-N 2 2 235.375 2.785 20 0 BFADLP CC[C@]1(C)CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182802721 366944086 /nfs/dbraw/zinc/94/40/86/366944086.db2.gz KLGISPRALUAKRB-CQSZACIVSA-N 2 2 235.375 2.785 20 0 BFADLP CC(C)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182798920 366944518 /nfs/dbraw/zinc/94/45/18/366944518.db2.gz ZQBQRDVSUQLHGH-UHFFFAOYSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]1 ZINC000580946144 367212753 /nfs/dbraw/zinc/21/27/53/367212753.db2.gz AQHNEWQIUVRKLF-BXUZGUMPSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CC1(C)CC1 ZINC000381039245 367340589 /nfs/dbraw/zinc/34/05/89/367340589.db2.gz BVTIXPFLDMJMDQ-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000581245486 367306285 /nfs/dbraw/zinc/30/62/85/367306285.db2.gz CHKRWJOLQFHPMN-APHBMKBZSA-N 2 2 244.382 2.712 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399125399 367592928 /nfs/dbraw/zinc/59/29/28/367592928.db2.gz JXKPALZZADGREQ-VNHYZAJKSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000399125389 367593372 /nfs/dbraw/zinc/59/33/72/367593372.db2.gz JXKPALZZADGREQ-KCQAQPDRSA-N 2 2 232.371 2.786 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000383438087 367621665 /nfs/dbraw/zinc/62/16/65/367621665.db2.gz DDHNMYJAEQUZBM-LEWSCRJBSA-N 2 2 236.334 2.698 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000383438087 367621668 /nfs/dbraw/zinc/62/16/68/367621668.db2.gz DDHNMYJAEQUZBM-LEWSCRJBSA-N 2 2 236.334 2.698 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000581618555 367638386 /nfs/dbraw/zinc/63/83/86/367638386.db2.gz GLYUOJUOAJOVTH-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000581618555 367638392 /nfs/dbraw/zinc/63/83/92/367638392.db2.gz GLYUOJUOAJOVTH-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399150863 367658588 /nfs/dbraw/zinc/65/85/88/367658588.db2.gz ZDBIYRRQIITRDG-KCQAQPDRSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC000385245228 367812055 /nfs/dbraw/zinc/81/20/55/367812055.db2.gz VNQLKAZHMHBQLU-LBPRGKRZSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C)[N@H+](C)C1CC1 ZINC000385103448 367791197 /nfs/dbraw/zinc/79/11/97/367791197.db2.gz IAQHJKRHKYFYCB-NWDGAFQWSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)CC(C)(C)C)[N@@H+](C)C1CC1 ZINC000385103448 367791200 /nfs/dbraw/zinc/79/12/00/367791200.db2.gz IAQHJKRHKYFYCB-NWDGAFQWSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC(C)(C)C ZINC000385271088 367814851 /nfs/dbraw/zinc/81/48/51/367814851.db2.gz YAWLVFBLEPQIRF-RYUDHWBXSA-N 2 2 223.364 2.686 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000385260378 367815432 /nfs/dbraw/zinc/81/54/32/367815432.db2.gz WZGZLMOLLVECDY-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000385260378 367815439 /nfs/dbraw/zinc/81/54/39/367815439.db2.gz WZGZLMOLLVECDY-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cn(C/C=C/Cn2cc(C)[nH+]c2C)c(C)[nH+]1 ZINC000631013025 370891239 /nfs/dbraw/zinc/89/12/39/370891239.db2.gz RKLTVGQPFNHRMX-AATRIKPKSA-N 2 2 244.342 2.570 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c(C)o1 ZINC000399171880 367849449 /nfs/dbraw/zinc/84/94/49/367849449.db2.gz IRLZQNZPFKCAMR-CDMKHQONSA-N 2 2 236.359 2.688 20 0 BFADLP Cc1csc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000386053038 367904845 /nfs/dbraw/zinc/90/48/45/367904845.db2.gz VUZPWWDVOQCZQX-AAEUAGOBSA-N 2 2 238.400 2.677 20 0 BFADLP Cc1cscc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386531577 367987765 /nfs/dbraw/zinc/98/77/65/367987765.db2.gz ARVJWUSLFMYLNW-AAEUAGOBSA-N 2 2 238.400 2.677 20 0 BFADLP Cc1ccsc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386560130 367991980 /nfs/dbraw/zinc/99/19/80/367991980.db2.gz IVWVLZMGSRLAOA-RYUDHWBXSA-N 2 2 238.400 2.677 20 0 BFADLP Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386607183 367999969 /nfs/dbraw/zinc/99/99/69/367999969.db2.gz VXUWDYYSGMDYHK-HIFRSBDPSA-N 2 2 232.371 2.615 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000386883386 368031535 /nfs/dbraw/zinc/03/15/35/368031535.db2.gz MNMYASPAEWUXKG-IJEWVQPXSA-N 2 2 246.398 2.753 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000386883386 368031541 /nfs/dbraw/zinc/03/15/41/368031541.db2.gz MNMYASPAEWUXKG-IJEWVQPXSA-N 2 2 246.398 2.753 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459404250 203273206 /nfs/dbraw/zinc/27/32/06/203273206.db2.gz RTFPMBADIURGTE-UHFFFAOYSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C1CC(C(C)(C)C)C1 ZINC000459404250 203273208 /nfs/dbraw/zinc/27/32/08/203273208.db2.gz RTFPMBADIURGTE-UHFFFAOYSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[N@H+](CCc1c[nH+]cn1C)C1CCCC1 ZINC000459323619 203257986 /nfs/dbraw/zinc/25/79/86/203257986.db2.gz JQBPCWUHEKOWKY-UHFFFAOYSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)C[N@@H+](CCc1c[nH+]cn1C)C1CCCC1 ZINC000459323619 203257990 /nfs/dbraw/zinc/25/79/90/203257990.db2.gz JQBPCWUHEKOWKY-UHFFFAOYSA-N 2 2 249.402 2.863 20 0 BFADLP CCC(C)(C)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459360016 203268264 /nfs/dbraw/zinc/26/82/64/203268264.db2.gz DCTMYJIBIWZCAW-AWEZNQCLSA-N 2 2 249.402 2.863 20 0 BFADLP CCC(C)(C)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459360016 203268266 /nfs/dbraw/zinc/26/82/66/203268266.db2.gz DCTMYJIBIWZCAW-AWEZNQCLSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H](C1CCCCC1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459430299 203281248 /nfs/dbraw/zinc/28/12/48/203281248.db2.gz QFYJMTBJRYYBJR-ZDUSSCGKSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H](C1CCCCC1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459430299 203281249 /nfs/dbraw/zinc/28/12/49/203281249.db2.gz QFYJMTBJRYYBJR-ZDUSSCGKSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)(C)C1C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000459638073 203325622 /nfs/dbraw/zinc/32/56/22/203325622.db2.gz IZHDVJSMVMMVFV-UHFFFAOYSA-N 2 2 243.354 2.812 20 0 BFADLP CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000459656573 203330663 /nfs/dbraw/zinc/33/06/63/203330663.db2.gz KZNNHAKZKGXCGV-TZMCWYRMSA-N 2 2 243.354 2.859 20 0 BFADLP CCCC[C@H]1CCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459662725 203333385 /nfs/dbraw/zinc/33/33/85/203333385.db2.gz NQYILNFQSKWDKX-DZGCQCFKSA-N 2 2 249.402 2.911 20 0 BFADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H]1CCCC[C@H]1C ZINC000459664110 203333398 /nfs/dbraw/zinc/33/33/98/203333398.db2.gz PMWOFIMYJBCHPR-NFAWXSAZSA-N 2 2 249.402 2.767 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631862120 369475637 /nfs/dbraw/zinc/47/56/37/369475637.db2.gz LLCYUPGMMZJEJQ-DOMZBBRYSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)c1 ZINC000631862120 369475639 /nfs/dbraw/zinc/47/56/39/369475639.db2.gz LLCYUPGMMZJEJQ-DOMZBBRYSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631862124 369475785 /nfs/dbraw/zinc/47/57/85/369475785.db2.gz LLCYUPGMMZJEJQ-WFASDCNBSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000631862124 369475787 /nfs/dbraw/zinc/47/57/87/369475787.db2.gz LLCYUPGMMZJEJQ-WFASDCNBSA-N 2 2 232.371 2.732 20 0 BFADLP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(F)c1 ZINC000631030352 370962467 /nfs/dbraw/zinc/96/24/67/370962467.db2.gz OHHDUBVVXPBJCM-UHFFFAOYSA-N 2 2 247.317 2.511 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H]1CCCC(C)(C)C1)[NH+](C)C ZINC000309791300 370260774 /nfs/dbraw/zinc/26/07/74/370260774.db2.gz ULHGGLZQSYDDND-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP c1cn2c(cccc2C[NH+]2CC(CC3CC3)C2)[nH+]1 ZINC000621740470 370500045 /nfs/dbraw/zinc/50/00/45/370500045.db2.gz ROIXLAOZWFQONL-UHFFFAOYSA-N 2 2 241.338 2.566 20 0 BFADLP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783058 370531589 /nfs/dbraw/zinc/53/15/89/370531589.db2.gz WOQZGGNJQHYHMA-ZLDLUXBVSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621783058 370531594 /nfs/dbraw/zinc/53/15/94/370531594.db2.gz WOQZGGNJQHYHMA-ZLDLUXBVSA-N 2 2 248.345 2.700 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000568856609 326379367 /nfs/dbraw/zinc/37/93/67/326379367.db2.gz CWTTUONCVTZQDB-PSASIEDQSA-N 2 2 244.741 2.867 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC23CC3)C[N@@H+]1C1CC1 ZINC000623825228 371112892 /nfs/dbraw/zinc/11/28/92/371112892.db2.gz ZLKGWJWNDZAOCE-HZSPNIEDSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC23CC3)C[N@H+]1C1CC1 ZINC000623825228 371112895 /nfs/dbraw/zinc/11/28/95/371112895.db2.gz ZLKGWJWNDZAOCE-HZSPNIEDSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1ccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c(C)[nH+]1 ZINC000623942239 371169032 /nfs/dbraw/zinc/16/90/32/371169032.db2.gz BVSVJPVCCQMUHM-CYBMUJFWSA-N 2 2 247.386 2.983 20 0 BFADLP Cc1ccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c(C)[nH+]1 ZINC000623942239 371169034 /nfs/dbraw/zinc/16/90/34/371169034.db2.gz BVSVJPVCCQMUHM-CYBMUJFWSA-N 2 2 247.386 2.983 20 0 BFADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccsc2)c2ccccc21 ZINC000132101154 181599728 /nfs/dbraw/zinc/59/97/28/181599728.db2.gz FNBUJTUNJDAPTL-KGLIPLIRSA-N 2 2 244.363 2.983 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100995 371301674 /nfs/dbraw/zinc/30/16/74/371301674.db2.gz CVYHJPOTTNNGMZ-MGPQQGTHSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100995 371301677 /nfs/dbraw/zinc/30/16/77/371301677.db2.gz CVYHJPOTTNNGMZ-MGPQQGTHSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC000227123893 371788907 /nfs/dbraw/zinc/78/89/07/371788907.db2.gz RKWRWJMXIAORBL-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC000227123893 371788912 /nfs/dbraw/zinc/78/89/12/371788912.db2.gz RKWRWJMXIAORBL-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000164454240 372152157 /nfs/dbraw/zinc/15/21/57/372152157.db2.gz CUGBGPPSJBUVMD-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000164454240 372152164 /nfs/dbraw/zinc/15/21/64/372152164.db2.gz CUGBGPPSJBUVMD-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[C@H](C[NH2+]C1CC2(CCC2)C1)[NH+](C)C ZINC000448057267 205497776 /nfs/dbraw/zinc/49/77/76/205497776.db2.gz BCZYDVMDORFMGW-CQSZACIVSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])oc1C ZINC000424378175 206038005 /nfs/dbraw/zinc/03/80/05/206038005.db2.gz SKHXCPQONOMZHU-CYZMBNFOSA-N 2 2 236.359 2.817 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000167338880 206145185 /nfs/dbraw/zinc/14/51/85/206145185.db2.gz VGTITSBUSXHIQH-OLZOCXBDSA-N 2 2 214.397 2.741 20 0 BFADLP CCC[N@H+](CC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000070901935 169137600 /nfs/dbraw/zinc/13/76/00/169137600.db2.gz KENHDURDJORTRQ-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[N@@H+](CC1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000070901935 169137602 /nfs/dbraw/zinc/13/76/02/169137602.db2.gz KENHDURDJORTRQ-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CCCN(CC[NH+](CC)CC)c1cc(C)cc[nH+]1 ZINC000359231882 169158010 /nfs/dbraw/zinc/15/80/10/169158010.db2.gz OQEKGKFSGFVKBH-UHFFFAOYSA-N 2 2 249.402 2.948 20 0 BFADLP CCC[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354432920 169194488 /nfs/dbraw/zinc/19/44/88/169194488.db2.gz PRTSLUGGBNRKGM-HZSPNIEDSA-N 2 2 224.392 2.734 20 0 BFADLP CCC[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354432920 169194490 /nfs/dbraw/zinc/19/44/90/169194490.db2.gz PRTSLUGGBNRKGM-HZSPNIEDSA-N 2 2 224.392 2.734 20 0 BFADLP CCC[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354432920 169194492 /nfs/dbraw/zinc/19/44/92/169194492.db2.gz PRTSLUGGBNRKGM-HZSPNIEDSA-N 2 2 224.392 2.734 20 0 BFADLP CCC[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354432920 169194495 /nfs/dbraw/zinc/19/44/95/169194495.db2.gz PRTSLUGGBNRKGM-HZSPNIEDSA-N 2 2 224.392 2.734 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000161351168 169258972 /nfs/dbraw/zinc/25/89/72/169258972.db2.gz OXXPMDMDAJNJST-UHFFFAOYSA-N 2 2 244.741 2.568 20 0 BFADLP CCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000092024019 169286787 /nfs/dbraw/zinc/28/67/87/169286787.db2.gz LPFIPRPMIHYFKT-GFCCVEGCSA-N 2 2 229.327 2.933 20 0 BFADLP c1cn(CC[NH2+]C2(c3ccccc3)CCC2)c[nH+]1 ZINC000179467450 183389360 /nfs/dbraw/zinc/38/93/60/183389360.db2.gz DMMGRAINQYYTHE-UHFFFAOYSA-N 2 2 241.338 2.552 20 0 BFADLP c1[nH]cc(C2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000095934682 183397428 /nfs/dbraw/zinc/39/74/28/183397428.db2.gz KGZMQJXQJKJWOM-UHFFFAOYSA-N 2 2 241.338 2.789 20 0 BFADLP CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020084355 169276206 /nfs/dbraw/zinc/27/62/06/169276206.db2.gz ULMDSAYUMUNWQF-LBPRGKRZSA-N 2 2 229.327 2.933 20 0 BFADLP c1ccc2c(c1)cccc2C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000205607538 183437153 /nfs/dbraw/zinc/43/71/53/183437153.db2.gz DDVRDXMXQZMOLS-HNNXBMFYSA-N 2 2 240.350 2.681 20 0 BFADLP CCC[C@@H](C)C[NH2+]CC[NH+]1CCCCCC1 ZINC000040767553 169358871 /nfs/dbraw/zinc/35/88/71/169358871.db2.gz JVPZRQQXKRMRHQ-CQSZACIVSA-N 2 2 226.408 2.888 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227171463 134374485 /nfs/dbraw/zinc/37/44/85/134374485.db2.gz PCAKJRWBZURFJL-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227171463 134374486 /nfs/dbraw/zinc/37/44/86/134374486.db2.gz PCAKJRWBZURFJL-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309267640 383828617 /nfs/dbraw/zinc/82/86/17/383828617.db2.gz FNJWUEWHSZNNRO-NRUUGDAUSA-N 2 2 238.762 2.823 20 0 BFADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309267640 383828621 /nfs/dbraw/zinc/82/86/21/383828621.db2.gz FNJWUEWHSZNNRO-NRUUGDAUSA-N 2 2 238.762 2.823 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C1(C2CC2)CC1 ZINC000558404635 383989134 /nfs/dbraw/zinc/98/91/34/383989134.db2.gz FSSAVRGJPPNMMS-UHFFFAOYSA-N 2 2 230.355 2.855 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)s1 ZINC000037157649 383947158 /nfs/dbraw/zinc/94/71/58/383947158.db2.gz SWASROPYHNWVGB-JQWIXIFHSA-N 2 2 249.383 2.992 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)c1cccc(C)c1 ZINC000348287402 383955800 /nfs/dbraw/zinc/95/58/00/383955800.db2.gz HXEJYGJKLHPJBD-ZFWWWQNUSA-N 2 2 234.387 2.986 20 0 BFADLP C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCCCC1 ZINC000037220379 383959781 /nfs/dbraw/zinc/95/97/81/383959781.db2.gz WPSOMZXXTFUVSE-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](CC)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309493727 384097850 /nfs/dbraw/zinc/09/78/50/384097850.db2.gz XVBGUTDEFMVYFE-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[C@H](CC)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309493727 384097855 /nfs/dbraw/zinc/09/78/55/384097855.db2.gz XVBGUTDEFMVYFE-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]CC[N@H+](C)CC ZINC000116387577 384130280 /nfs/dbraw/zinc/13/02/80/384130280.db2.gz GKDDLKYMCKTKGC-OAHLLOKOSA-N 2 2 234.387 2.549 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]CC[N@@H+](C)CC ZINC000116387577 384130285 /nfs/dbraw/zinc/13/02/85/384130285.db2.gz GKDDLKYMCKTKGC-OAHLLOKOSA-N 2 2 234.387 2.549 20 0 BFADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ccco1)C(C)(C)C ZINC000116378628 384131974 /nfs/dbraw/zinc/13/19/74/384131974.db2.gz OGWWQYFZXUZMFF-CYBMUJFWSA-N 2 2 238.375 2.736 20 0 BFADLP CC(C)C(C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC000556387278 384183646 /nfs/dbraw/zinc/18/36/46/384183646.db2.gz MBPKNWJBJRKQJO-CQSZACIVSA-N 2 2 240.435 2.846 20 0 BFADLP CC(C)C(C[NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)C ZINC000556387278 384183659 /nfs/dbraw/zinc/18/36/59/384183659.db2.gz MBPKNWJBJRKQJO-CQSZACIVSA-N 2 2 240.435 2.846 20 0 BFADLP CCC[C@H](CC)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000132700145 384202666 /nfs/dbraw/zinc/20/26/66/384202666.db2.gz OBLWXSXLQFSOPK-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)s1 ZINC000041632299 384193240 /nfs/dbraw/zinc/19/32/40/384193240.db2.gz XSXFMKZQMMEFFI-LLVKDONJSA-N 2 2 249.383 2.858 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313287909 384236206 /nfs/dbraw/zinc/23/62/06/384236206.db2.gz YMLLHHOJEXXZHY-ZIAGYGMSSA-N 2 2 249.402 2.769 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]CCC1CCCCCC1 ZINC000168418409 384216947 /nfs/dbraw/zinc/21/69/47/384216947.db2.gz UPRXQPOIGNTANV-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)C1CC([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000518740794 384253325 /nfs/dbraw/zinc/25/33/25/384253325.db2.gz WRGUDLQXPJDQEZ-UHFFFAOYSA-N 2 2 247.386 2.744 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+]CC(C)(C)C)cn21 ZINC000647262914 384316378 /nfs/dbraw/zinc/31/63/78/384316378.db2.gz YCCMGALNSSGXCO-UHFFFAOYSA-N 2 2 245.370 2.821 20 0 BFADLP Cc1cccc(CC[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000449231117 384451750 /nfs/dbraw/zinc/45/17/50/384451750.db2.gz CPYZYRLCEPUDFF-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000449231117 384451756 /nfs/dbraw/zinc/45/17/56/384451756.db2.gz CPYZYRLCEPUDFF-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP CCC[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153834 384484385 /nfs/dbraw/zinc/48/43/85/384484385.db2.gz GPECCZFAHFPRCW-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[NH3+])c1cc(Cl)ccc1Cl ZINC000037712416 384509522 /nfs/dbraw/zinc/50/95/22/384509522.db2.gz MVQJWKLTUAAYAN-SSDOTTSWSA-N 2 2 233.142 2.603 20 0 BFADLP CC1=CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000556863101 384553503 /nfs/dbraw/zinc/55/35/03/384553503.db2.gz RGDIIEDGYUJNDH-CYBMUJFWSA-N 2 2 245.370 2.808 20 0 BFADLP C[C@H]([NH2+]CC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020086319 384574006 /nfs/dbraw/zinc/57/40/06/384574006.db2.gz JFXNIKHAODGHDX-LBPRGKRZSA-N 2 2 241.338 2.933 20 0 BFADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccn1 ZINC000049856292 384575100 /nfs/dbraw/zinc/57/51/00/384575100.db2.gz XROZHQSSUPMVEE-KBPBESRZSA-N 2 2 247.386 2.607 20 0 BFADLP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccn1 ZINC000049856292 384575110 /nfs/dbraw/zinc/57/51/10/384575110.db2.gz XROZHQSSUPMVEE-KBPBESRZSA-N 2 2 247.386 2.607 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CCC[N@@H+]1C ZINC000309743785 384575745 /nfs/dbraw/zinc/57/57/45/384575745.db2.gz FAGDNQBTBBBHTG-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC(C)(C)C2)CCC[N@H+]1C ZINC000309743785 384575751 /nfs/dbraw/zinc/57/57/51/384575751.db2.gz FAGDNQBTBBBHTG-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)=CCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000309751659 384580180 /nfs/dbraw/zinc/58/01/80/384580180.db2.gz GWHLWFSGYNKCDJ-STQMWFEESA-N 2 2 222.376 2.558 20 0 BFADLP CC(C)=CCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000309751659 384580187 /nfs/dbraw/zinc/58/01/87/384580187.db2.gz GWHLWFSGYNKCDJ-STQMWFEESA-N 2 2 222.376 2.558 20 0 BFADLP c1[nH+]cn2c1C[N@H+](CCC1CCCCC1)CC2 ZINC000335324810 384594796 /nfs/dbraw/zinc/59/47/96/384594796.db2.gz CEYOKHHBPNLRIY-UHFFFAOYSA-N 2 2 233.359 2.669 20 0 BFADLP c1[nH+]cn2c1C[N@@H+](CCC1CCCCC1)CC2 ZINC000335324810 384594802 /nfs/dbraw/zinc/59/48/02/384594802.db2.gz CEYOKHHBPNLRIY-UHFFFAOYSA-N 2 2 233.359 2.669 20 0 BFADLP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556887050 384597206 /nfs/dbraw/zinc/59/72/06/384597206.db2.gz PMEHPQKPEGMACM-ZIAGYGMSSA-N 2 2 247.386 2.744 20 0 BFADLP C[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000086332330 384639779 /nfs/dbraw/zinc/63/97/79/384639779.db2.gz MQLDETSQKQFNOB-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154594765 384640718 /nfs/dbraw/zinc/64/07/18/384640718.db2.gz CVYHJPOTTNNGMZ-RDBSUJKOSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154594765 384640726 /nfs/dbraw/zinc/64/07/26/384640726.db2.gz CVYHJPOTTNNGMZ-RDBSUJKOSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC[NH+](CC)CC ZINC000042579400 384641296 /nfs/dbraw/zinc/64/12/96/384641296.db2.gz AQSUKZBQWSGNQU-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@@H]2c2ccsc2)c[nH+]1 ZINC000162828947 384692971 /nfs/dbraw/zinc/69/29/71/384692971.db2.gz AUCAVUHXFKAEOC-CYBMUJFWSA-N 2 2 247.367 2.782 20 0 BFADLP CCC[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364918 384693390 /nfs/dbraw/zinc/69/33/90/384693390.db2.gz RUIXQBYZVVKJQW-LBPRGKRZSA-N 2 2 245.370 2.963 20 0 BFADLP CC[C@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364934 384694372 /nfs/dbraw/zinc/69/43/72/384694372.db2.gz SGJXUQJZLINUJG-NSHDSACASA-N 2 2 231.343 2.573 20 0 BFADLP c1csc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000647554421 384773333 /nfs/dbraw/zinc/77/33/33/384773333.db2.gz ZCIVETAVIVTOIB-GFCCVEGCSA-N 2 2 236.384 2.512 20 0 BFADLP CCC(CC)C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000309993778 384762916 /nfs/dbraw/zinc/76/29/16/384762916.db2.gz BRXPJAKIZCLJES-UHFFFAOYSA-N 2 2 224.392 2.664 20 0 BFADLP CCC(CC)C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000309993778 384762920 /nfs/dbraw/zinc/76/29/20/384762920.db2.gz BRXPJAKIZCLJES-UHFFFAOYSA-N 2 2 224.392 2.664 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000053345133 384782809 /nfs/dbraw/zinc/78/28/09/384782809.db2.gz SMHVPXJFHNRQBF-CYBMUJFWSA-N 2 2 232.371 2.507 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000053345133 384782813 /nfs/dbraw/zinc/78/28/13/384782813.db2.gz SMHVPXJFHNRQBF-CYBMUJFWSA-N 2 2 232.371 2.507 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423246434 384785110 /nfs/dbraw/zinc/78/51/10/384785110.db2.gz KAVUBRVLVPJMAQ-SOUVJXGZSA-N 2 2 232.371 2.711 20 0 BFADLP C[N@H+](Cc1ccc(Cl)s1)[C@@H](C[NH3+])C1CC1 ZINC000042488657 384807995 /nfs/dbraw/zinc/80/79/95/384807995.db2.gz PFDSEHMWMGAHOB-JTQLQIEISA-N 2 2 244.791 2.571 20 0 BFADLP C[N@@H+](Cc1ccc(Cl)s1)[C@@H](C[NH3+])C1CC1 ZINC000042488657 384808001 /nfs/dbraw/zinc/80/80/01/384808001.db2.gz PFDSEHMWMGAHOB-JTQLQIEISA-N 2 2 244.791 2.571 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCC13CCC3)C2 ZINC000336228127 384808186 /nfs/dbraw/zinc/80/81/86/384808186.db2.gz QAOVSRPMUKDCLV-SMDDNHRTSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCCC13CCC3)CC2 ZINC000336228127 384808190 /nfs/dbraw/zinc/80/81/90/384808190.db2.gz QAOVSRPMUKDCLV-SMDDNHRTSA-N 2 2 245.370 2.579 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000448057905 384880394 /nfs/dbraw/zinc/88/03/94/384880394.db2.gz GNFDIDIZAUJNPZ-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000448057905 384880404 /nfs/dbraw/zinc/88/04/04/384880404.db2.gz GNFDIDIZAUJNPZ-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C/C(Cl)=C/C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000528412439 384862965 /nfs/dbraw/zinc/86/29/65/384862965.db2.gz BWXYWYLYPNDGTG-WCIBSUBMSA-N 2 2 230.783 2.591 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccco1 ZINC000367438655 384896461 /nfs/dbraw/zinc/89/64/61/384896461.db2.gz OMQNEZYPRANPOT-NSHDSACASA-N 2 2 245.326 2.663 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC000161207785 384917104 /nfs/dbraw/zinc/91/71/04/384917104.db2.gz BJRSSWHINMGGAN-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)C1CC1 ZINC000161207785 384917115 /nfs/dbraw/zinc/91/71/15/384917115.db2.gz BJRSSWHINMGGAN-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+](Cc1cccs1)Cc1c[nH+]cn1C ZINC000177246824 384931580 /nfs/dbraw/zinc/93/15/80/384931580.db2.gz ZVZRSVOVOKIXRY-UHFFFAOYSA-N 2 2 235.356 2.504 20 0 BFADLP CC[N@@H+](Cc1cccs1)Cc1c[nH+]cn1C ZINC000177246824 384931586 /nfs/dbraw/zinc/93/15/86/384931586.db2.gz ZVZRSVOVOKIXRY-UHFFFAOYSA-N 2 2 235.356 2.504 20 0 BFADLP C[C@@H](C[NH2+]CC[NH+]1CCCC1)Cc1ccccc1 ZINC000187364441 384936033 /nfs/dbraw/zinc/93/60/33/384936033.db2.gz YIIFCIZHQZWSKX-OAHLLOKOSA-N 2 2 246.398 2.551 20 0 BFADLP C[C@H](C[NH2+]CC[NH+]1CCCC1)Cc1ccccc1 ZINC000187364420 384938541 /nfs/dbraw/zinc/93/85/41/384938541.db2.gz YIIFCIZHQZWSKX-HNNXBMFYSA-N 2 2 246.398 2.551 20 0 BFADLP CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000059218006 385043551 /nfs/dbraw/zinc/04/35/51/385043551.db2.gz DLKLTFPKVWTCED-UHFFFAOYSA-N 2 2 232.371 2.603 20 0 BFADLP CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000059218006 385043564 /nfs/dbraw/zinc/04/35/64/385043564.db2.gz DLKLTFPKVWTCED-UHFFFAOYSA-N 2 2 232.371 2.603 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000361652422 385111964 /nfs/dbraw/zinc/11/19/64/385111964.db2.gz FWMJZJMGLNGDJG-KGLIPLIRSA-N 2 2 247.386 2.847 20 0 BFADLP CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000165488905 385134354 /nfs/dbraw/zinc/13/43/54/385134354.db2.gz MIXKDAAGOVWLFK-RYUDHWBXSA-N 2 2 239.388 2.564 20 0 BFADLP Cc1ccc(F)cc1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000129028228 385100234 /nfs/dbraw/zinc/10/02/34/385100234.db2.gz ATVPECKEOCCVTQ-GFCCVEGCSA-N 2 2 247.317 2.509 20 0 BFADLP Cc1ccc(F)cc1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000129028050 385101184 /nfs/dbraw/zinc/10/11/84/385101184.db2.gz ATVPECKEOCCVTQ-LBPRGKRZSA-N 2 2 247.317 2.509 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000300997459 385225586 /nfs/dbraw/zinc/22/55/86/385225586.db2.gz WOCGNZABXLPEAN-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000300997459 385225590 /nfs/dbraw/zinc/22/55/90/385225590.db2.gz WOCGNZABXLPEAN-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP C[NH+]1CCC([NH2+]Cc2ccsc2Cl)CC1 ZINC000308968881 385321535 /nfs/dbraw/zinc/32/15/35/385321535.db2.gz XSPNGCZUPFKZRI-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1F ZINC000110976188 385273141 /nfs/dbraw/zinc/27/31/41/385273141.db2.gz OKGSVSPXKCRAJF-GFCCVEGCSA-N 2 2 247.317 2.509 20 0 BFADLP CC[C@H](C[NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000157851907 385294556 /nfs/dbraw/zinc/29/45/56/385294556.db2.gz KCNXHQZDOYIXRI-OAHLLOKOSA-N 2 2 246.398 2.866 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000154505099 385333046 /nfs/dbraw/zinc/33/30/46/385333046.db2.gz DZOOASYKRQOUHF-NWDGAFQWSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1F ZINC000154505099 385333049 /nfs/dbraw/zinc/33/30/49/385333049.db2.gz DZOOASYKRQOUHF-NWDGAFQWSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000154505210 385333397 /nfs/dbraw/zinc/33/33/97/385333397.db2.gz DZOOASYKRQOUHF-VXGBXAGGSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1F ZINC000154505210 385333402 /nfs/dbraw/zinc/33/34/02/385333402.db2.gz DZOOASYKRQOUHF-VXGBXAGGSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000168595491 385375915 /nfs/dbraw/zinc/37/59/15/385375915.db2.gz FGRBSDWKJXZPON-KBPBESRZSA-N 2 2 234.387 2.547 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC1(C)C ZINC000309314831 385527481 /nfs/dbraw/zinc/52/74/81/385527481.db2.gz OZSNBKRFSSFMCT-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000337379906 385621424 /nfs/dbraw/zinc/62/14/24/385621424.db2.gz CVRHPKUVJBAJEL-HIFRSBDPSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000337379906 385621431 /nfs/dbraw/zinc/62/14/31/385621431.db2.gz CVRHPKUVJBAJEL-HIFRSBDPSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCC3)C[N@@H+]1C1CC1 ZINC000337419468 385652506 /nfs/dbraw/zinc/65/25/06/385652506.db2.gz FDUVDJVFYQWEQR-DYEKYZERSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCC3)C[N@H+]1C1CC1 ZINC000337419468 385652510 /nfs/dbraw/zinc/65/25/10/385652510.db2.gz FDUVDJVFYQWEQR-DYEKYZERSA-N 2 2 234.387 2.534 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H](C)C[NH+](C)C)c1Cl ZINC000309540340 385674699 /nfs/dbraw/zinc/67/46/99/385674699.db2.gz FSEOSACPWZSYPN-SECBINFHSA-N 2 2 241.766 2.653 20 0 BFADLP CSc1ccccc1[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000281812679 385703921 /nfs/dbraw/zinc/70/39/21/385703921.db2.gz WFGLLJOHDYDQRA-JTQLQIEISA-N 2 2 247.367 2.982 20 0 BFADLP CC(C)C[C@@H](C[NH2+]C1CC(C)(C)C1)[NH+](C)C ZINC000336692321 385734498 /nfs/dbraw/zinc/73/44/98/385734498.db2.gz XEZNKUJQFXKKAJ-ZDUSSCGKSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336736202 385741437 /nfs/dbraw/zinc/74/14/37/385741437.db2.gz MLSKYLULDWQVPL-GXTWGEPZSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000336736202 385741440 /nfs/dbraw/zinc/74/14/40/385741440.db2.gz MLSKYLULDWQVPL-GXTWGEPZSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]C2CCC3(CC3)CC2)CCC[N@@H+]1C ZINC000488462225 385806293 /nfs/dbraw/zinc/80/62/93/385806293.db2.gz HECLHOXXVXTJOA-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]C2CCC3(CC3)CC2)CCC[N@H+]1C ZINC000488462225 385806298 /nfs/dbraw/zinc/80/62/98/385806298.db2.gz HECLHOXXVXTJOA-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)CC[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414958056 385856771 /nfs/dbraw/zinc/85/67/71/385856771.db2.gz QQKVLSXVCKGRPZ-HNNXBMFYSA-N 2 2 246.398 2.899 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414953827 385832871 /nfs/dbraw/zinc/83/28/71/385832871.db2.gz KEEZMXZUIAQOGF-GFCCVEGCSA-N 2 2 232.371 2.652 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414874874 385889448 /nfs/dbraw/zinc/88/94/48/385889448.db2.gz SYIXAXZMPJOHLN-UHFFFAOYSA-N 2 2 232.371 2.653 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000390797118 385904962 /nfs/dbraw/zinc/90/49/62/385904962.db2.gz SXFBFAGOLJVASC-RDBSUJKOSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000390797118 385904964 /nfs/dbraw/zinc/90/49/64/385904964.db2.gz SXFBFAGOLJVASC-RDBSUJKOSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C)[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285476425 385930389 /nfs/dbraw/zinc/93/03/89/385930389.db2.gz BENFSOCYPNHBMF-CYBMUJFWSA-N 2 2 238.375 2.832 20 0 BFADLP CC[C@@H](C)[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285476425 385930395 /nfs/dbraw/zinc/93/03/95/385930395.db2.gz BENFSOCYPNHBMF-CYBMUJFWSA-N 2 2 238.375 2.832 20 0 BFADLP CC[C@@H](C)[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285476425 385930402 /nfs/dbraw/zinc/93/04/02/385930402.db2.gz BENFSOCYPNHBMF-CYBMUJFWSA-N 2 2 238.375 2.832 20 0 BFADLP CC[C@@H](C)[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285476425 385930407 /nfs/dbraw/zinc/93/04/07/385930407.db2.gz BENFSOCYPNHBMF-CYBMUJFWSA-N 2 2 238.375 2.832 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337986672 385868629 /nfs/dbraw/zinc/86/86/29/385868629.db2.gz POTLRZDMSFUJAF-KGLIPLIRSA-N 2 2 244.398 2.836 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CCC1 ZINC000338015030 385879466 /nfs/dbraw/zinc/87/94/66/385879466.db2.gz VAXSIWUFYZJFRB-UONOGXRCSA-N 2 2 236.403 2.639 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]CC1(SC)CCC1 ZINC000336747637 385978933 /nfs/dbraw/zinc/97/89/33/385978933.db2.gz XKQFXPDWJKGZBT-UHFFFAOYSA-N 2 2 244.448 2.594 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]CC1(SC)CCC1 ZINC000336747637 385978937 /nfs/dbraw/zinc/97/89/37/385978937.db2.gz XKQFXPDWJKGZBT-UHFFFAOYSA-N 2 2 244.448 2.594 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000414065594 385942893 /nfs/dbraw/zinc/94/28/93/385942893.db2.gz GBPRDTCAXUBZLX-GBJTYRQASA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@H]1C[C@H]1C ZINC000414070247 385944109 /nfs/dbraw/zinc/94/41/09/385944109.db2.gz JRIZAUGZYSTCEY-MCIONIFRSA-N 2 2 247.386 2.908 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C1CC2(CCC2)C1 ZINC000336742385 385947839 /nfs/dbraw/zinc/94/78/39/385947839.db2.gz RXTIGHXTIXBLMO-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C1CC2(CCC2)C1 ZINC000336742385 385947846 /nfs/dbraw/zinc/94/78/46/385947846.db2.gz RXTIGHXTIXBLMO-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)[C@H]1CCCC[NH2+]1 ZINC000335052664 385951802 /nfs/dbraw/zinc/95/18/02/385951802.db2.gz FVFRJUUJTKBJIM-BXUZGUMPSA-N 2 2 245.370 2.597 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@H]1C ZINC000414082315 385952614 /nfs/dbraw/zinc/95/26/14/385952614.db2.gz FMSFGHGEQOCNHI-OSFYFWSMSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@H]1C ZINC000414082315 385952620 /nfs/dbraw/zinc/95/26/20/385952620.db2.gz FMSFGHGEQOCNHI-OSFYFWSMSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)[C@@H]1C[C@H]1C ZINC000414092241 385956809 /nfs/dbraw/zinc/95/68/09/385956809.db2.gz FFOGTPSEPBNORP-RQJABVFESA-N 2 2 247.386 2.785 20 0 BFADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1F ZINC000335059524 385962290 /nfs/dbraw/zinc/96/22/90/385962290.db2.gz BUMRFONNASMIGX-RYUDHWBXSA-N 2 2 236.334 2.618 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@H](C)C[NH+](C)C)C1 ZINC000336746858 385962353 /nfs/dbraw/zinc/96/23/53/385962353.db2.gz WXRQXTYKGDRCKW-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@@H](C2CC2)C2CCCC2)c1 ZINC000414124232 385972150 /nfs/dbraw/zinc/97/21/50/385972150.db2.gz KIOFGVCIQWLUCM-OAHLLOKOSA-N 2 2 247.386 2.521 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414124259 385972205 /nfs/dbraw/zinc/97/22/05/385972205.db2.gz KMSBIBWRJMPBQF-UMVBOHGHSA-N 2 2 249.402 2.767 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000189468893 386011440 /nfs/dbraw/zinc/01/14/40/386011440.db2.gz WXXXOZNUEHPFDZ-QWHCGFSZSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000189468893 386011446 /nfs/dbraw/zinc/01/14/46/386011446.db2.gz WXXXOZNUEHPFDZ-QWHCGFSZSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1cccc(C[NH2+]CC[N@H+]2CC[C@@H](C)C2)c1C ZINC000525800689 386033851 /nfs/dbraw/zinc/03/38/51/386033851.db2.gz KJFJWHVMOUTKDT-CYBMUJFWSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1cccc(C[NH2+]CC[N@@H+]2CC[C@@H](C)C2)c1C ZINC000525800689 386033855 /nfs/dbraw/zinc/03/38/55/386033855.db2.gz KJFJWHVMOUTKDT-CYBMUJFWSA-N 2 2 246.398 2.735 20 0 BFADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1Cl ZINC000414978123 386040680 /nfs/dbraw/zinc/04/06/80/386040680.db2.gz LLDLPPDKJAURHY-JTQLQIEISA-N 2 2 247.169 2.820 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414981100 386060178 /nfs/dbraw/zinc/06/01/78/386060178.db2.gz QFUBJSKSMPVPCI-SNVBAGLBSA-N 2 2 247.169 2.820 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@H](CC[NH3+])C(F)F ZINC000414982362 386067252 /nfs/dbraw/zinc/06/72/52/386067252.db2.gz AFOVIVFJASXWOL-SNVBAGLBSA-N 2 2 236.350 2.775 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000414217102 386073775 /nfs/dbraw/zinc/07/37/75/386073775.db2.gz AOFWTXSOCARFCA-NWANDNLSSA-N 2 2 232.371 2.677 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000414217102 386073784 /nfs/dbraw/zinc/07/37/84/386073784.db2.gz AOFWTXSOCARFCA-NWANDNLSSA-N 2 2 232.371 2.677 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH+](C)C)CCC2 ZINC000286994720 386088128 /nfs/dbraw/zinc/08/81/28/386088128.db2.gz JSTPXAYNHHUPFP-HNNXBMFYSA-N 2 2 232.371 2.524 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000414674319 386149074 /nfs/dbraw/zinc/14/90/74/386149074.db2.gz DOQLSOCZFPRKIG-UKRRQHHQSA-N 2 2 249.402 2.535 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000414674319 386149079 /nfs/dbraw/zinc/14/90/79/386149079.db2.gz DOQLSOCZFPRKIG-UKRRQHHQSA-N 2 2 249.402 2.535 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000414674318 386150051 /nfs/dbraw/zinc/15/00/51/386150051.db2.gz DOQLSOCZFPRKIG-HIFRSBDPSA-N 2 2 249.402 2.535 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccn1C ZINC000414674318 386150057 /nfs/dbraw/zinc/15/00/57/386150057.db2.gz DOQLSOCZFPRKIG-HIFRSBDPSA-N 2 2 249.402 2.535 20 0 BFADLP [NH3+]CC[C@@H]([NH2+]CCC1CCCCCC1)C(F)F ZINC000414991986 386151571 /nfs/dbraw/zinc/15/15/71/386151571.db2.gz QGNWORYWMCVVAM-GFCCVEGCSA-N 2 2 248.361 2.919 20 0 BFADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCC1 ZINC000346227153 386176631 /nfs/dbraw/zinc/17/66/31/386176631.db2.gz SRRCVBVRYZKJMG-UHFFFAOYSA-N 2 2 247.367 2.918 20 0 BFADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CCC1 ZINC000346227153 386176640 /nfs/dbraw/zinc/17/66/40/386176640.db2.gz SRRCVBVRYZKJMG-UHFFFAOYSA-N 2 2 247.367 2.918 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414690828 386185606 /nfs/dbraw/zinc/18/56/06/386185606.db2.gz ASRBSXRLQRWWOK-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414690828 386185608 /nfs/dbraw/zinc/18/56/08/386185608.db2.gz ASRBSXRLQRWWOK-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)C(C)C)CCC2 ZINC000366210675 386187276 /nfs/dbraw/zinc/18/72/76/386187276.db2.gz PEYIARGTBXRXJQ-STQMWFEESA-N 2 2 235.375 2.703 20 0 BFADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000131859870 386225115 /nfs/dbraw/zinc/22/51/15/386225115.db2.gz ZYYSJTDUWAVSJM-ZIAGYGMSSA-N 2 2 228.295 2.514 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275598196 386225530 /nfs/dbraw/zinc/22/55/30/386225530.db2.gz PLLSKTBWJAOUKP-CVEARBPZSA-N 2 2 246.398 2.549 20 0 BFADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000347114530 386230913 /nfs/dbraw/zinc/23/09/13/386230913.db2.gz UALYNFCYIVRWOD-LLVKDONJSA-N 2 2 240.778 2.736 20 0 BFADLP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@H](C)C[NH3+] ZINC000347114530 386230917 /nfs/dbraw/zinc/23/09/17/386230917.db2.gz UALYNFCYIVRWOD-LLVKDONJSA-N 2 2 240.778 2.736 20 0 BFADLP Cc1cc2cc(C[N@@H+](C)[C@H](C)C[NH3+])oc2cc1C ZINC000347111629 386232705 /nfs/dbraw/zinc/23/27/05/386232705.db2.gz OJIUSJBTWJPBJD-GFCCVEGCSA-N 2 2 246.354 2.829 20 0 BFADLP Cc1cc2cc(C[N@H+](C)[C@H](C)C[NH3+])oc2cc1C ZINC000347111629 386232709 /nfs/dbraw/zinc/23/27/09/386232709.db2.gz OJIUSJBTWJPBJD-GFCCVEGCSA-N 2 2 246.354 2.829 20 0 BFADLP C[C@@H](CC[NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000397856439 386242448 /nfs/dbraw/zinc/24/24/48/386242448.db2.gz MLBQOCSVZBKRFO-AWEZNQCLSA-N 2 2 246.398 2.864 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000289013416 386252142 /nfs/dbraw/zinc/25/21/42/386252142.db2.gz AGIDUMYIYDQINE-OKILXGFUSA-N 2 2 232.371 2.910 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000289013416 386252144 /nfs/dbraw/zinc/25/21/44/386252144.db2.gz AGIDUMYIYDQINE-OKILXGFUSA-N 2 2 232.371 2.910 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)CC(C)(C)C1 ZINC000021061651 386197989 /nfs/dbraw/zinc/19/79/89/386197989.db2.gz HPHFMNDXSALXTJ-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000414696942 386198473 /nfs/dbraw/zinc/19/84/73/386198473.db2.gz QTRWZXJSKRTGJS-KBPBESRZSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1C1CCC1 ZINC000414696942 386198477 /nfs/dbraw/zinc/19/84/77/386198477.db2.gz QTRWZXJSKRTGJS-KBPBESRZSA-N 2 2 224.392 2.624 20 0 BFADLP Clc1ccsc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335266591 386306204 /nfs/dbraw/zinc/30/62/04/386306204.db2.gz ATNDEHKSZUORAL-SECBINFHSA-N 2 2 244.791 2.633 20 0 BFADLP Cc1sccc1C[NH+]1CCC([NH+](C)C)CC1 ZINC000334482366 386311134 /nfs/dbraw/zinc/31/11/34/386311134.db2.gz WQMXJJHZOPDVJM-UHFFFAOYSA-N 2 2 238.400 2.583 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H](C)C1 ZINC000289209298 386271224 /nfs/dbraw/zinc/27/12/24/386271224.db2.gz WHVKLMPVNHEDDH-GFCCVEGCSA-N 2 2 218.344 2.664 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H](C)C1 ZINC000289209298 386271228 /nfs/dbraw/zinc/27/12/28/386271228.db2.gz WHVKLMPVNHEDDH-GFCCVEGCSA-N 2 2 218.344 2.664 20 0 BFADLP Cc1ccoc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289897919 386368038 /nfs/dbraw/zinc/36/80/38/386368038.db2.gz WSQUKGFKHPNIAQ-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1ccoc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289897919 386368042 /nfs/dbraw/zinc/36/80/42/386368042.db2.gz WSQUKGFKHPNIAQ-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1ccoc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289897919 386368050 /nfs/dbraw/zinc/36/80/50/386368050.db2.gz WSQUKGFKHPNIAQ-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1ccoc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289897919 386368055 /nfs/dbraw/zinc/36/80/55/386368055.db2.gz WSQUKGFKHPNIAQ-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1cccnc1 ZINC000276457420 386328719 /nfs/dbraw/zinc/32/87/19/386328719.db2.gz NZVWMMPSVVRZJX-UHFFFAOYSA-N 2 2 241.338 2.507 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347334851 386332111 /nfs/dbraw/zinc/33/21/11/386332111.db2.gz JBRLZEVRIFEFFG-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000347334851 386332115 /nfs/dbraw/zinc/33/21/15/386332115.db2.gz JBRLZEVRIFEFFG-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](CC1CC1)CC1CCC1 ZINC000414757344 386402423 /nfs/dbraw/zinc/40/24/23/386402423.db2.gz ATQLVHQWDCGCEF-HNNXBMFYSA-N 2 2 238.419 2.872 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](CC1CC1)CC1CCC1 ZINC000414757344 386402428 /nfs/dbraw/zinc/40/24/28/386402428.db2.gz ATQLVHQWDCGCEF-HNNXBMFYSA-N 2 2 238.419 2.872 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000414758039 386405821 /nfs/dbraw/zinc/40/58/21/386405821.db2.gz BNPAVASVFSRELQ-STQMWFEESA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000414758039 386405822 /nfs/dbraw/zinc/40/58/22/386405822.db2.gz BNPAVASVFSRELQ-STQMWFEESA-N 2 2 226.408 2.870 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000527355076 386415538 /nfs/dbraw/zinc/41/55/38/386415538.db2.gz QINAVQZUNGEDHA-KFWWJZLASA-N 2 2 238.419 2.744 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H]2CCC[C@@H](C)C2)C1 ZINC000527355076 386415545 /nfs/dbraw/zinc/41/55/45/386415545.db2.gz QINAVQZUNGEDHA-KFWWJZLASA-N 2 2 238.419 2.744 20 0 BFADLP Cc1ccoc1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000266245509 386416624 /nfs/dbraw/zinc/41/66/24/386416624.db2.gz YNPBZFAICJEATD-UHFFFAOYSA-N 2 2 248.370 2.552 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CCc2c1cccc2Cl ZINC000519381486 386420638 /nfs/dbraw/zinc/42/06/38/386420638.db2.gz NOCBPTRLIAITCP-ZDUSSCGKSA-N 2 2 238.762 2.526 20 0 BFADLP Cc1c[nH+]c(CNc2cccc(C3CC3)[nH+]2)n1C ZINC000339423575 386421944 /nfs/dbraw/zinc/42/19/44/386421944.db2.gz BBUDONHEKHIBMT-UHFFFAOYSA-N 2 2 242.326 2.613 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccsc1 ZINC000336732696 386471254 /nfs/dbraw/zinc/47/12/54/386471254.db2.gz FYWFEFBWNQLGSD-NWDGAFQWSA-N 2 2 240.416 2.609 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417354550 386492889 /nfs/dbraw/zinc/49/28/89/386492889.db2.gz MENFKYFEQGBFLD-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000417359320 386509779 /nfs/dbraw/zinc/50/97/79/386509779.db2.gz VLULZFRWVIVJHL-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CCc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)o1 ZINC000290597572 386456228 /nfs/dbraw/zinc/45/62/28/386456228.db2.gz VSTUXZAMNCCVSF-UHFFFAOYSA-N 2 2 247.342 2.561 20 0 BFADLP CCc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)o1 ZINC000290597572 386456231 /nfs/dbraw/zinc/45/62/31/386456231.db2.gz VSTUXZAMNCCVSF-UHFFFAOYSA-N 2 2 247.342 2.561 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1F ZINC000414800284 386586876 /nfs/dbraw/zinc/58/68/76/386586876.db2.gz SCTLIMDOHKSPKM-GFCCVEGCSA-N 2 2 244.741 2.552 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000415048825 386535293 /nfs/dbraw/zinc/53/52/93/386535293.db2.gz XLQQHBICGNEUNN-CQSZACIVSA-N 2 2 232.371 2.534 20 0 BFADLP CCSCC[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000336755309 386536012 /nfs/dbraw/zinc/53/60/12/386536012.db2.gz GJGQDIJFMXLKPC-CHWSQXEVSA-N 2 2 244.448 2.592 20 0 BFADLP CCSCC[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000336755309 386536018 /nfs/dbraw/zinc/53/60/18/386536018.db2.gz GJGQDIJFMXLKPC-CHWSQXEVSA-N 2 2 244.448 2.592 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000123164732 386543642 /nfs/dbraw/zinc/54/36/42/386543642.db2.gz ZPGVYISWGWXJQZ-INIZCTEOSA-N 2 2 246.398 2.679 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000123164732 386543646 /nfs/dbraw/zinc/54/36/46/386543646.db2.gz ZPGVYISWGWXJQZ-INIZCTEOSA-N 2 2 246.398 2.679 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C[C@@H](C)CC ZINC000415067032 386546744 /nfs/dbraw/zinc/54/67/44/386546744.db2.gz OTONGPRTDBDJJO-WFASDCNBSA-N 2 2 234.387 2.885 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000415070233 386551399 /nfs/dbraw/zinc/55/13/99/386551399.db2.gz QERDJBWARMSXNQ-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1 ZINC000063195768 386551790 /nfs/dbraw/zinc/55/17/90/386551790.db2.gz ZMGBPGNHGOCJPQ-IZBMSUHZSA-N 2 2 244.382 2.902 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1 ZINC000063195768 386551797 /nfs/dbraw/zinc/55/17/97/386551797.db2.gz ZMGBPGNHGOCJPQ-IZBMSUHZSA-N 2 2 244.382 2.902 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000063191487 386553061 /nfs/dbraw/zinc/55/30/61/386553061.db2.gz GHDJLQPJIYYEJQ-RISCZKNCSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000063191487 386553064 /nfs/dbraw/zinc/55/30/64/386553064.db2.gz GHDJLQPJIYYEJQ-RISCZKNCSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000063191375 386553093 /nfs/dbraw/zinc/55/30/93/386553093.db2.gz PPJKHOHNHYHWGR-BXUZGUMPSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000063191375 386553096 /nfs/dbraw/zinc/55/30/96/386553096.db2.gz PPJKHOHNHYHWGR-BXUZGUMPSA-N 2 2 236.334 2.527 20 0 BFADLP Cc1ccoc1C[NH2+]CCCNc1cccc[nH+]1 ZINC000267559789 386553706 /nfs/dbraw/zinc/55/37/06/386553706.db2.gz ARZDNFQYJHGUBC-UHFFFAOYSA-N 2 2 245.326 2.575 20 0 BFADLP c1oc2ccccc2c1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415071036 386556875 /nfs/dbraw/zinc/55/68/75/386556875.db2.gz SBUHZWPKIMARMG-ZDUSSCGKSA-N 2 2 244.338 2.665 20 0 BFADLP CCC[C@H]([NH2+]CC1([NH+](C)C)CC1)C(C)(C)C ZINC000417361014 386565300 /nfs/dbraw/zinc/56/53/00/386565300.db2.gz YCLCYYYRSCZHRV-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000335498301 386622997 /nfs/dbraw/zinc/62/29/97/386622997.db2.gz IUZBDLLIGZEGOO-NWDGAFQWSA-N 2 2 238.400 2.849 20 0 BFADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(F)ccc1F ZINC000414810141 386628873 /nfs/dbraw/zinc/62/88/73/386628873.db2.gz WWSHAMVIQACQNV-UHFFFAOYSA-N 2 2 242.313 2.572 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000414925454 386641069 /nfs/dbraw/zinc/64/10/69/386641069.db2.gz JPVFSHDGHQDBCY-BDJLRTHQSA-N 2 2 246.398 2.699 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000414925464 386641764 /nfs/dbraw/zinc/64/17/64/386641764.db2.gz JPVFSHDGHQDBCY-ZBEGNZNMSA-N 2 2 246.398 2.699 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccccc1Cl ZINC000414818078 386656994 /nfs/dbraw/zinc/65/69/94/386656994.db2.gz UQUJJBWMXIDDAJ-GFCCVEGCSA-N 2 2 240.778 2.947 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000414830898 386709428 /nfs/dbraw/zinc/70/94/28/386709428.db2.gz MKVRTDUEHGWZHA-YUELXQCFSA-N 2 2 232.371 2.855 20 0 BFADLP c1ccc2c(c1)CC[NH2+][C@H]2C[NH2+]C1CCCCC1 ZINC000043596118 386711258 /nfs/dbraw/zinc/71/12/58/386711258.db2.gz QWOLCYPFUNURQS-INIZCTEOSA-N 2 2 244.382 2.796 20 0 BFADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414824508 386683442 /nfs/dbraw/zinc/68/34/42/386683442.db2.gz ARDBTUVVCJXVNF-VHDGCEQUSA-N 2 2 232.371 2.855 20 0 BFADLP CC1(C)CCC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414826857 386688346 /nfs/dbraw/zinc/68/83/46/386688346.db2.gz GISBPHUCDVGRIR-ZIAGYGMSSA-N 2 2 232.371 2.855 20 0 BFADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)cc1 ZINC000414829162 386701656 /nfs/dbraw/zinc/70/16/56/386701656.db2.gz KHPKUVAXCJPOPU-INIZCTEOSA-N 2 2 240.350 2.785 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)o1 ZINC000268829720 386702827 /nfs/dbraw/zinc/70/28/27/386702827.db2.gz QRPVLDHUAPKVQG-VXGBXAGGSA-N 2 2 247.342 2.778 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043326075 386703442 /nfs/dbraw/zinc/70/34/42/386703442.db2.gz HKCVULOQTYLKIG-DOMZBBRYSA-N 2 2 232.371 2.652 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)(C)c1ccccc1 ZINC000268896540 386716598 /nfs/dbraw/zinc/71/65/98/386716598.db2.gz LMPNHABIDBGTPX-UONOGXRCSA-N 2 2 248.414 2.892 20 0 BFADLP CC(C)(C)CC[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414837022 386730021 /nfs/dbraw/zinc/73/00/21/386730021.db2.gz TZDKCZPVODXFMD-ZDUSSCGKSA-N 2 2 220.360 2.712 20 0 BFADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccsc1Cl ZINC000414842118 386747694 /nfs/dbraw/zinc/74/76/94/386747694.db2.gz NTXLACOSKVMEND-SNVBAGLBSA-N 2 2 246.807 2.865 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000414933822 386790668 /nfs/dbraw/zinc/79/06/68/386790668.db2.gz BCYFZHLNTYJHMP-HOCLYGCPSA-N 2 2 246.398 2.842 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414937933 386849355 /nfs/dbraw/zinc/84/93/55/386849355.db2.gz DTFCEHDIMHEOMY-LRDDRELGSA-N 2 2 244.382 2.794 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000336739678 386891311 /nfs/dbraw/zinc/89/13/11/386891311.db2.gz PIXLIEYGTYLBEM-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336739678 386891314 /nfs/dbraw/zinc/89/13/14/386891314.db2.gz PIXLIEYGTYLBEM-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC/C=C\CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000341282260 386877493 /nfs/dbraw/zinc/87/74/93/386877493.db2.gz BGAPBZMOIUIDKE-PLNGDYQASA-N 2 2 221.348 2.561 20 0 BFADLP CC/C=C\CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000341282260 386877498 /nfs/dbraw/zinc/87/74/98/386877498.db2.gz BGAPBZMOIUIDKE-PLNGDYQASA-N 2 2 221.348 2.561 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000358020118 386881707 /nfs/dbraw/zinc/88/17/07/386881707.db2.gz LQBIBJKAHQXOHU-HOCLYGCPSA-N 2 2 246.398 2.652 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000358020118 386881712 /nfs/dbraw/zinc/88/17/12/386881712.db2.gz LQBIBJKAHQXOHU-HOCLYGCPSA-N 2 2 246.398 2.652 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414941833 386885208 /nfs/dbraw/zinc/88/52/08/386885208.db2.gz BENOSLHCPVLYHX-KCXAZCMYSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414941837 386887498 /nfs/dbraw/zinc/88/74/98/386887498.db2.gz BENOSLHCPVLYHX-WQVCFCJDSA-N 2 2 244.382 2.652 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000336739677 386890676 /nfs/dbraw/zinc/89/06/76/386890676.db2.gz PIXLIEYGTYLBEM-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000336739677 386890681 /nfs/dbraw/zinc/89/06/81/386890681.db2.gz PIXLIEYGTYLBEM-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccc(C)cc1 ZINC000358236114 386916826 /nfs/dbraw/zinc/91/68/26/386916826.db2.gz UCWPPKDHWMLXTP-CWRNSKLLSA-N 2 2 246.398 2.986 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C)cc1 ZINC000358236114 386916829 /nfs/dbraw/zinc/91/68/29/386916829.db2.gz UCWPPKDHWMLXTP-CWRNSKLLSA-N 2 2 246.398 2.986 20 0 BFADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000334866050 386921126 /nfs/dbraw/zinc/92/11/26/386921126.db2.gz VVAFSBIEVNOKOM-FZMZJTMJSA-N 2 2 244.338 2.520 20 0 BFADLP CCCCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367994575 386926678 /nfs/dbraw/zinc/92/66/78/386926678.db2.gz LNDXOKNPNDIZGS-NWDGAFQWSA-N 2 2 235.375 2.825 20 0 BFADLP CCCCC[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367994575 386926681 /nfs/dbraw/zinc/92/66/81/386926681.db2.gz LNDXOKNPNDIZGS-NWDGAFQWSA-N 2 2 235.375 2.825 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358386479 386947461 /nfs/dbraw/zinc/94/74/61/386947461.db2.gz AOFWTXSOCARFCA-QEJZJMRPSA-N 2 2 232.371 2.677 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358386479 386947464 /nfs/dbraw/zinc/94/74/64/386947464.db2.gz AOFWTXSOCARFCA-QEJZJMRPSA-N 2 2 232.371 2.677 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c(C)s1 ZINC000334876612 386937197 /nfs/dbraw/zinc/93/71/97/386937197.db2.gz YLOTWBGUIUKFLF-LBPRGKRZSA-N 2 2 238.400 2.595 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1([NH+](C)C)CC1 ZINC000418116572 386943573 /nfs/dbraw/zinc/94/35/73/386943573.db2.gz QZCKHGPHWOKQPK-KBPBESRZSA-N 2 2 236.403 2.663 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358386478 386948094 /nfs/dbraw/zinc/94/80/94/386948094.db2.gz AOFWTXSOCARFCA-AEGPPILISA-N 2 2 232.371 2.677 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000358386478 386948101 /nfs/dbraw/zinc/94/81/01/386948101.db2.gz AOFWTXSOCARFCA-AEGPPILISA-N 2 2 232.371 2.677 20 0 BFADLP C[NH+](C)C1(C[NH2+]C/C=C/c2ccc(F)cc2)CC1 ZINC000418110257 386985001 /nfs/dbraw/zinc/98/50/01/386985001.db2.gz BJKRBGPHUFEUPJ-ONEGZZNKSA-N 2 2 248.345 2.523 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336745733 387008584 /nfs/dbraw/zinc/00/85/84/387008584.db2.gz QWLHWNRPRVNSKU-BZPMIXESSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336745733 387008587 /nfs/dbraw/zinc/00/85/87/387008587.db2.gz QWLHWNRPRVNSKU-BZPMIXESSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000334820853 386949527 /nfs/dbraw/zinc/94/95/27/386949527.db2.gz NHXXJQNUXCNAMI-FZMZJTMJSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000334820849 386950609 /nfs/dbraw/zinc/95/06/09/386950609.db2.gz NHXXJQNUXCNAMI-BXUZGUMPSA-N 2 2 244.338 2.663 20 0 BFADLP CC(C)C(C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)C(C)C ZINC000191700561 387052532 /nfs/dbraw/zinc/05/25/32/387052532.db2.gz UJSOTUJZHRVLSL-CYBMUJFWSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C(C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)C(C)C ZINC000191700561 387052536 /nfs/dbraw/zinc/05/25/36/387052536.db2.gz UJSOTUJZHRVLSL-CYBMUJFWSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccco1 ZINC000019905792 387062582 /nfs/dbraw/zinc/06/25/82/387062582.db2.gz ZQYPSAJJYJISEP-NSHDSACASA-N 2 2 224.348 2.518 20 0 BFADLP C[C@H](C[NH2+]CC1([NH+](C)C)CC1)Cc1ccccc1 ZINC000418118718 387062597 /nfs/dbraw/zinc/06/25/97/387062597.db2.gz WNVDSYJAEDNLFV-AWEZNQCLSA-N 2 2 246.398 2.549 20 0 BFADLP CCCC[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCC1 ZINC000193386801 387109075 /nfs/dbraw/zinc/10/90/75/387109075.db2.gz QZXWWGRFOWNMKQ-ZDUSSCGKSA-N 2 2 221.348 2.858 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000068987305 387109582 /nfs/dbraw/zinc/10/95/82/387109582.db2.gz MJIGUZJZHPHTDW-CHWSQXEVSA-N 2 2 224.392 2.782 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000068987305 387109586 /nfs/dbraw/zinc/10/95/86/387109586.db2.gz MJIGUZJZHPHTDW-CHWSQXEVSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc2ccccc2s1 ZINC000335028389 387123111 /nfs/dbraw/zinc/12/31/11/387123111.db2.gz JFPYNMCOEDHPQT-PWSUYJOCSA-N 2 2 246.379 2.914 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(O)c1 ZINC000423298916 387128820 /nfs/dbraw/zinc/12/88/20/387128820.db2.gz PFIXRDKQXAAEMA-YPMHNXCESA-N 2 2 236.359 2.560 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000423342270 387192348 /nfs/dbraw/zinc/19/23/48/387192348.db2.gz YVAJBNMRCZJCLQ-HTQZYQBOSA-N 2 2 247.169 2.991 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000423307825 387142603 /nfs/dbraw/zinc/14/26/03/387142603.db2.gz HWBHKBBNOBNBQE-XJKSGUPXSA-N 2 2 246.398 2.818 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000423307934 387142873 /nfs/dbraw/zinc/14/28/73/387142873.db2.gz IDXYLZWEYFWWPN-MRXNPFEDSA-N 2 2 246.398 2.962 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000423308288 387142884 /nfs/dbraw/zinc/14/28/84/387142884.db2.gz IVICHYJORJBBLO-IUODEOHRSA-N 2 2 232.371 2.824 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000423308287 387144338 /nfs/dbraw/zinc/14/43/38/387144338.db2.gz IVICHYJORJBBLO-DOMZBBRYSA-N 2 2 232.371 2.824 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](CCC)c1cccnc1 ZINC000423309468 387145408 /nfs/dbraw/zinc/14/54/08/387145408.db2.gz LJXSQTRKVVZARQ-AWEZNQCLSA-N 2 2 235.375 2.512 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000423311780 387149256 /nfs/dbraw/zinc/14/92/56/387149256.db2.gz QOVVXOOYRAQOLH-DOMZBBRYSA-N 2 2 232.371 2.509 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccccc1F ZINC000423314809 387154036 /nfs/dbraw/zinc/15/40/36/387154036.db2.gz WNYCUPZNHYLJFJ-CQSZACIVSA-N 2 2 238.350 2.866 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000423314965 387154077 /nfs/dbraw/zinc/15/40/77/387154077.db2.gz WYFGXRPJWGIANN-NSHDSACASA-N 2 2 240.416 2.961 20 0 BFADLP C[C@@H]1[C@H](C)C[N@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000418135019 387154859 /nfs/dbraw/zinc/15/48/59/387154859.db2.gz QNVOPWITDCEAER-UPJWGTAASA-N 2 2 243.354 2.811 20 0 BFADLP C[C@@H]1[C@H](C)C[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000418135019 387154866 /nfs/dbraw/zinc/15/48/66/387154866.db2.gz QNVOPWITDCEAER-UPJWGTAASA-N 2 2 243.354 2.811 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000423316930 387156011 /nfs/dbraw/zinc/15/60/11/387156011.db2.gz YKBLHIIMLAILPJ-CYBMUJFWSA-N 2 2 220.360 2.645 20 0 BFADLP CC(C)[C@H]([NH2+][C@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423319914 387161061 /nfs/dbraw/zinc/16/10/61/387161061.db2.gz GBBAUUJBGLEUGJ-RNCFNFMXSA-N 2 2 242.313 2.599 20 0 BFADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423329427 387173000 /nfs/dbraw/zinc/17/30/00/387173000.db2.gz SUAXVWHSXLORLX-GWCFXTLKSA-N 2 2 244.338 2.821 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)Cn1cc[nH+]c1 ZINC000193127851 387174465 /nfs/dbraw/zinc/17/44/65/387174465.db2.gz YFCZWKUSEANXRF-MGPQQGTHSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000089553384 387178766 /nfs/dbraw/zinc/17/87/66/387178766.db2.gz JNOMWVFFYLZPTP-UMVBOHGHSA-N 2 2 244.382 2.962 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000089553384 387178774 /nfs/dbraw/zinc/17/87/74/387178774.db2.gz JNOMWVFFYLZPTP-UMVBOHGHSA-N 2 2 244.382 2.962 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)[nH]1 ZINC000336350202 387179623 /nfs/dbraw/zinc/17/96/23/387179623.db2.gz AMVCFTJBPKDZFO-CHWSQXEVSA-N 2 2 231.343 2.698 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)[nH]1 ZINC000336350202 387179626 /nfs/dbraw/zinc/17/96/26/387179626.db2.gz AMVCFTJBPKDZFO-CHWSQXEVSA-N 2 2 231.343 2.698 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1F ZINC000423301967 387134685 /nfs/dbraw/zinc/13/46/85/387134685.db2.gz UTWMPOHODHIBFC-VXGBXAGGSA-N 2 2 238.350 2.994 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000423305451 387139953 /nfs/dbraw/zinc/13/99/53/387139953.db2.gz BXOGUBNALQHWGP-AWEZNQCLSA-N 2 2 234.387 2.954 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC000300403508 387203574 /nfs/dbraw/zinc/20/35/74/387203574.db2.gz GNZGUNGSFZISEE-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC000300403508 387203577 /nfs/dbraw/zinc/20/35/77/387203577.db2.gz GNZGUNGSFZISEE-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423353078 387206262 /nfs/dbraw/zinc/20/62/62/387206262.db2.gz CHBIPCQMYSGXSP-GUTXKFCHSA-N 2 2 244.382 2.885 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423357589 387207000 /nfs/dbraw/zinc/20/70/00/387207000.db2.gz INUHHMGHEFUKKI-QEJZJMRPSA-N 2 2 232.371 2.725 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423358329 387209775 /nfs/dbraw/zinc/20/97/75/387209775.db2.gz JMIYYMCROFDITB-IJEWVQPXSA-N 2 2 246.398 2.952 20 0 BFADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423361457 387212344 /nfs/dbraw/zinc/21/23/44/387212344.db2.gz GVRJTCSRRCDSAO-YUMQZZPRSA-N 2 2 247.169 2.991 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000251856531 387216998 /nfs/dbraw/zinc/21/69/98/387216998.db2.gz NVJMTGSGOJQLDQ-SWLSCSKDSA-N 2 2 232.371 2.591 20 0 BFADLP CC[C@H](C)C[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000251856531 387217001 /nfs/dbraw/zinc/21/70/01/387217001.db2.gz NVJMTGSGOJQLDQ-SWLSCSKDSA-N 2 2 232.371 2.591 20 0 BFADLP Cc1ccc(CCC[N@@H+](C)Cc2ccc[nH]2)c[nH+]1 ZINC000353664997 387252941 /nfs/dbraw/zinc/25/29/41/387252941.db2.gz ZWMTWGSUMYCDRW-UHFFFAOYSA-N 2 2 243.354 2.783 20 0 BFADLP Cc1ccc(CCC[N@H+](C)Cc2ccc[nH]2)c[nH+]1 ZINC000353664997 387252946 /nfs/dbraw/zinc/25/29/46/387252946.db2.gz ZWMTWGSUMYCDRW-UHFFFAOYSA-N 2 2 243.354 2.783 20 0 BFADLP CC(C)CC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccoc1 ZINC000423368597 387221511 /nfs/dbraw/zinc/22/15/11/387221511.db2.gz NJPHDEQLFJNJJD-WCQYABFASA-N 2 2 224.348 2.694 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000423372100 387226541 /nfs/dbraw/zinc/22/65/41/387226541.db2.gz HWPHUIUIVVKFDU-NOXHYTERSA-N 2 2 244.382 2.650 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@H](C)C[NH3+])C2CCCC2)o1 ZINC000423326850 387231734 /nfs/dbraw/zinc/23/17/34/387231734.db2.gz MZWCKFDLICXBEX-YGRLFVJLSA-N 2 2 236.359 2.756 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423398441 387233127 /nfs/dbraw/zinc/23/31/27/387233127.db2.gz VKSHMHONEBBHBN-GXTWGEPZSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000336406162 387236820 /nfs/dbraw/zinc/23/68/20/387236820.db2.gz YYZHDPSJUQWHLN-GWCFXTLKSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000336406162 387236829 /nfs/dbraw/zinc/23/68/29/387236829.db2.gz YYZHDPSJUQWHLN-GWCFXTLKSA-N 2 2 238.762 2.824 20 0 BFADLP CC(C)CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccoc1 ZINC000423420868 387251142 /nfs/dbraw/zinc/25/11/42/387251142.db2.gz BTTNGWJISNUKPX-LJISPDSOSA-N 2 2 248.370 2.564 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000336369712 387201798 /nfs/dbraw/zinc/20/17/98/387201798.db2.gz ASKDYANSXZTOOL-AWEZNQCLSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000336369712 387201802 /nfs/dbraw/zinc/20/18/02/387201802.db2.gz ASKDYANSXZTOOL-AWEZNQCLSA-N 2 2 247.386 2.790 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000423465155 387313394 /nfs/dbraw/zinc/31/33/94/387313394.db2.gz MNJIHEBATYSUKA-ZYHUDNBSSA-N 2 2 236.359 2.620 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423465152 387313417 /nfs/dbraw/zinc/31/34/17/387313417.db2.gz MNJIHEBATYSUKA-PWSUYJOCSA-N 2 2 236.359 2.620 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423377418 387259373 /nfs/dbraw/zinc/25/93/73/387259373.db2.gz YSDGIKSAWLJMDS-VNHYZAJKSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423377414 387260708 /nfs/dbraw/zinc/26/07/08/387260708.db2.gz YSDGIKSAWLJMDS-IPYPFGDCSA-N 2 2 232.371 2.644 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccccc1 ZINC000423379510 387262878 /nfs/dbraw/zinc/26/28/78/387262878.db2.gz MAEAECHENMZSDM-TZMCWYRMSA-N 2 2 220.360 2.725 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2sccc21 ZINC000423393033 387279277 /nfs/dbraw/zinc/27/92/77/387279277.db2.gz YBHMZYPCHODYSX-ZYHUDNBSSA-N 2 2 238.400 2.713 20 0 BFADLP CCC1CC([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000423437941 387288723 /nfs/dbraw/zinc/28/87/23/387288723.db2.gz UQQKMVCEHHPRLO-LDZOIKDWSA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000423458432 387305872 /nfs/dbraw/zinc/30/58/72/387305872.db2.gz GXGNSNFILGABIT-JQWIXIFHSA-N 2 2 232.327 2.821 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000423458154 387306539 /nfs/dbraw/zinc/30/65/39/387306539.db2.gz GLCDDBPJSKYWNL-GXTWGEPZSA-N 2 2 248.370 2.536 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000423461006 387308665 /nfs/dbraw/zinc/30/86/65/387308665.db2.gz JEFOWYNRRKVRBK-GWCFXTLKSA-N 2 2 242.313 2.743 20 0 BFADLP CCc1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000261552048 387309513 /nfs/dbraw/zinc/30/95/13/387309513.db2.gz MBSCLLRUVGNSQQ-HZPDHXFCSA-N 2 2 246.398 2.898 20 0 BFADLP Fc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501743 387355197 /nfs/dbraw/zinc/35/51/97/387355197.db2.gz PBTFYEDGQBFMMY-XHDPSFHLSA-N 2 2 248.345 2.545 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423542262 387368780 /nfs/dbraw/zinc/36/87/80/387368780.db2.gz AQLZPICKEAJPJV-XJKCOSOUSA-N 2 2 244.382 2.967 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423551674 387372811 /nfs/dbraw/zinc/37/28/11/387372811.db2.gz JJEMMQDWEWUKHC-ZIAGYGMSSA-N 2 2 232.371 2.788 20 0 BFADLP Fc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423550385 387372905 /nfs/dbraw/zinc/37/29/05/387372905.db2.gz IHZOWEDOCNIILU-NHYWBVRUSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000423566324 387376906 /nfs/dbraw/zinc/37/69/06/387376906.db2.gz UCOIXDOWFZFJCO-CABCVRRESA-N 2 2 232.371 2.869 20 0 BFADLP Cc1ccc(CCC[NH2+]Cc2ccoc2)c[nH+]1 ZINC000354159501 387338423 /nfs/dbraw/zinc/33/84/23/387338423.db2.gz UXQLJYJJZYVMDX-UHFFFAOYSA-N 2 2 230.311 2.705 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)C(C)C ZINC000423514394 387351646 /nfs/dbraw/zinc/35/16/46/387351646.db2.gz WKXHIZCDWUOJMC-WFASDCNBSA-N 2 2 234.387 2.883 20 0 BFADLP CC(C)(C)c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000084566466 387454872 /nfs/dbraw/zinc/45/48/72/387454872.db2.gz WFZMGCBXIYYJFD-HNNXBMFYSA-N 2 2 246.398 2.826 20 0 BFADLP CC1(C)C[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643506378 387459378 /nfs/dbraw/zinc/45/93/78/387459378.db2.gz UNCNLLKRPLJRCC-HNNXBMFYSA-N 2 2 244.382 2.751 20 0 BFADLP CC(C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361072076 387396235 /nfs/dbraw/zinc/39/62/35/387396235.db2.gz BTNSQRIRIDENJX-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP FCCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000375359354 387532360 /nfs/dbraw/zinc/53/23/60/387532360.db2.gz CUDWYOJZOCGTLR-GFCCVEGCSA-N 2 2 239.338 2.729 20 0 BFADLP FCCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000375359354 387532363 /nfs/dbraw/zinc/53/23/63/387532363.db2.gz CUDWYOJZOCGTLR-GFCCVEGCSA-N 2 2 239.338 2.729 20 0 BFADLP CC(C)CC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000310260432 387535720 /nfs/dbraw/zinc/53/57/20/387535720.db2.gz CMBXRNAEBMHZCH-CQSZACIVSA-N 2 2 235.375 2.688 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643506003 387464012 /nfs/dbraw/zinc/46/40/12/387464012.db2.gz HKVVQCRDXXXVSU-GFCCVEGCSA-N 2 2 232.371 2.652 20 0 BFADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C)cc1 ZINC000643506063 387466503 /nfs/dbraw/zinc/46/65/03/387466503.db2.gz JPZAURHRHXLYQI-HNNXBMFYSA-N 2 2 232.371 2.788 20 0 BFADLP CCC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1 ZINC000643506250 387467003 /nfs/dbraw/zinc/46/70/03/387467003.db2.gz PQFYEUSMWSJAPF-HNNXBMFYSA-N 2 2 232.371 2.869 20 0 BFADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507160 387475631 /nfs/dbraw/zinc/47/56/31/387475631.db2.gz UTNBZTCPNWGNGF-OAHLLOKOSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)[C@@H](C)C2 ZINC000643507818 387479285 /nfs/dbraw/zinc/47/92/85/387479285.db2.gz QLIPHDJHGLFCID-LRDDRELGSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CCC1 ZINC000355146285 387488071 /nfs/dbraw/zinc/48/80/71/387488071.db2.gz BVPPIENMMACMOD-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CCC1 ZINC000355146285 387488074 /nfs/dbraw/zinc/48/80/74/387488074.db2.gz BVPPIENMMACMOD-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+](CC1CC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426753613 387590268 /nfs/dbraw/zinc/59/02/68/387590268.db2.gz JNZDJBJOUVVLIU-UHFFFAOYSA-N 2 2 238.419 2.983 20 0 BFADLP C[N@@H+](CC1CC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000426753613 387590271 /nfs/dbraw/zinc/59/02/71/387590271.db2.gz JNZDJBJOUVVLIU-UHFFFAOYSA-N 2 2 238.419 2.983 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1C ZINC000041119281 387591850 /nfs/dbraw/zinc/59/18/50/387591850.db2.gz UJEIMOZUMBWHNK-AWEZNQCLSA-N 2 2 243.354 2.851 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000422558328 387600578 /nfs/dbraw/zinc/60/05/78/387600578.db2.gz YVQYUAVMPHRMRG-OAHLLOKOSA-N 2 2 244.382 2.794 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422698003 387613184 /nfs/dbraw/zinc/61/31/84/387613184.db2.gz XENOUEFJSHGABD-DZGCQCFKSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C1CCCCC1 ZINC000037228674 387563176 /nfs/dbraw/zinc/56/31/76/387563176.db2.gz NFGGGDLKNYCXSE-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCCCC1 ZINC000037249322 387563196 /nfs/dbraw/zinc/56/31/96/387563196.db2.gz JXFJNLOSEWSKHB-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]C[C@H]1CC=CCC1)CCCC2 ZINC000376725993 387665035 /nfs/dbraw/zinc/66/50/35/387665035.db2.gz MFTNQJYDZNJUFN-ZDUSSCGKSA-N 2 2 245.370 2.665 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2F)[C@@H]1CCC[NH2+]1 ZINC000422765389 387665917 /nfs/dbraw/zinc/66/59/17/387665917.db2.gz PDMWVSDLWSNISO-LKTVYLICSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422770032 387671319 /nfs/dbraw/zinc/67/13/19/387671319.db2.gz WFFWOBMLDAXLRQ-KGYLQXTDSA-N 2 2 248.395 2.564 20 0 BFADLP CC[C@@H](F)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000440714264 387682353 /nfs/dbraw/zinc/68/23/53/387682353.db2.gz QILDUPLJZLTDJQ-GFCCVEGCSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@@H](F)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000440714264 387682356 /nfs/dbraw/zinc/68/23/56/387682356.db2.gz QILDUPLJZLTDJQ-GFCCVEGCSA-N 2 2 230.371 2.539 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422786151 387685614 /nfs/dbraw/zinc/68/56/14/387685614.db2.gz SDQSLVJSTFZTBD-ZBFHGGJFSA-N 2 2 246.398 2.842 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000044684973 387688304 /nfs/dbraw/zinc/68/83/04/387688304.db2.gz NYBQEJNBYCIVAV-SMDDNHRTSA-N 2 2 248.345 2.713 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000044684973 387688307 /nfs/dbraw/zinc/68/83/07/387688307.db2.gz NYBQEJNBYCIVAV-SMDDNHRTSA-N 2 2 248.345 2.713 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044685044 387688500 /nfs/dbraw/zinc/68/85/00/387688500.db2.gz QNCDZCCAJUJKTR-OLZOCXBDSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044685044 387688504 /nfs/dbraw/zinc/68/85/04/387688504.db2.gz QNCDZCCAJUJKTR-OLZOCXBDSA-N 2 2 224.392 2.637 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+]CC1([NH+](C)C)CC1 ZINC000418114047 387693447 /nfs/dbraw/zinc/69/34/47/387693447.db2.gz KOYXPCNEDNDNDN-SDNWHVSQSA-N 2 2 244.382 2.774 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000222011702 387746806 /nfs/dbraw/zinc/74/68/06/387746806.db2.gz OLCQYZDRNYUBGN-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000222011702 387746814 /nfs/dbraw/zinc/74/68/14/387746814.db2.gz OLCQYZDRNYUBGN-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000222012052 387748121 /nfs/dbraw/zinc/74/81/21/387748121.db2.gz MZCPSEUDBVEMNL-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000222012052 387748126 /nfs/dbraw/zinc/74/81/26/387748126.db2.gz 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/nfs/dbraw/zinc/73/15/55/387731555.db2.gz OSXMUABLKPMVIB-GBOPCIDUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)[C@H]1C[C@H]1C ZINC000527810515 387731559 /nfs/dbraw/zinc/73/15/59/387731559.db2.gz OSXMUABLKPMVIB-GBOPCIDUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1C[C@H]1C ZINC000527810518 387731930 /nfs/dbraw/zinc/73/19/30/387731930.db2.gz OSXMUABLKPMVIB-OSRDXIQISA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)[C@H]1C[C@H]1C ZINC000527810518 387731938 /nfs/dbraw/zinc/73/19/38/387731938.db2.gz OSXMUABLKPMVIB-OSRDXIQISA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)CC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccoc1 ZINC000643527695 387767216 /nfs/dbraw/zinc/76/72/16/387767216.db2.gz REFSVVZHLDNYOS-DGCLKSJQSA-N 2 2 224.348 2.694 20 0 BFADLP CC(C)CC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccoc1 ZINC000643527694 387767932 /nfs/dbraw/zinc/76/79/32/387767932.db2.gz REFSVVZHLDNYOS-AAEUAGOBSA-N 2 2 224.348 2.694 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@@H](C)[NH3+])c1cc(F)ccc1F ZINC000643528021 387773796 /nfs/dbraw/zinc/77/37/96/387773796.db2.gz XJQXWHNVDFHJSX-RNCFNFMXSA-N 2 2 242.313 2.599 20 0 BFADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)[NH3+])C2CCCC2)o1 ZINC000643529139 387775833 /nfs/dbraw/zinc/77/58/33/387775833.db2.gz VTTSTVYAVPJAKM-QMTHXVAHSA-N 2 2 236.359 2.756 20 0 BFADLP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccs1 ZINC000422937349 387782680 /nfs/dbraw/zinc/78/26/80/387782680.db2.gz GCBKGXYJXBEUFT-NEPJUHHUSA-N 2 2 238.400 2.787 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccoc1 ZINC000643530126 387784859 /nfs/dbraw/zinc/78/48/59/387784859.db2.gz NZOFDYMVGVVSEM-WCQYABFASA-N 2 2 236.359 2.708 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528003527 387807858 /nfs/dbraw/zinc/80/78/58/387807858.db2.gz SOWDUUDSCULPEM-UONOGXRCSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528003527 387807860 /nfs/dbraw/zinc/80/78/60/387807860.db2.gz SOWDUUDSCULPEM-UONOGXRCSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000442666446 387819976 /nfs/dbraw/zinc/81/99/76/387819976.db2.gz RBDFIVGYNJBVKW-COPLHBTASA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@@H]1c1ccccc1F ZINC000442666446 387819981 /nfs/dbraw/zinc/81/99/81/387819981.db2.gz RBDFIVGYNJBVKW-COPLHBTASA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCC1 ZINC000528007834 387820307 /nfs/dbraw/zinc/82/03/07/387820307.db2.gz CPKURXOGUVOPGD-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCC1 ZINC000528007834 387820315 /nfs/dbraw/zinc/82/03/15/387820315.db2.gz CPKURXOGUVOPGD-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528010247 387822286 /nfs/dbraw/zinc/82/22/86/387822286.db2.gz JLBYOESRFPKBFQ-JSGCOSHPSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528010247 387822290 /nfs/dbraw/zinc/82/22/90/387822290.db2.gz JLBYOESRFPKBFQ-JSGCOSHPSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1cccc(O)c1 ZINC000442865574 387852792 /nfs/dbraw/zinc/85/27/92/387852792.db2.gz UPIRPRRODJWAOL-SLEUVZQESA-N 2 2 248.370 2.526 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1cccc(O)c1 ZINC000442865574 387852794 /nfs/dbraw/zinc/85/27/94/387852794.db2.gz UPIRPRRODJWAOL-SLEUVZQESA-N 2 2 248.370 2.526 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H](C)CCCC[NH3+])C(F)(F)F ZINC000423070075 387872439 /nfs/dbraw/zinc/87/24/39/387872439.db2.gz MNZPBHWPCDJMBJ-UWVGGRQHSA-N 2 2 240.313 2.680 20 0 BFADLP [NH3+][C@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2F)c2ccccc21 ZINC000423144738 387921111 /nfs/dbraw/zinc/92/11/11/387921111.db2.gz HUMFKIKVXNRYGI-RFGFWPKPSA-N 2 2 234.318 2.611 20 0 BFADLP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)c2ccccc21 ZINC000423144740 387921551 /nfs/dbraw/zinc/92/15/51/387921551.db2.gz HUMFKIKVXNRYGI-ZOBORPQBSA-N 2 2 234.318 2.611 20 0 BFADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423145259 387922086 /nfs/dbraw/zinc/92/20/86/387922086.db2.gz JWCXMHZLXXZCNI-HUUCEWRRSA-N 2 2 248.345 2.673 20 0 BFADLP C1=CC[C@@H](C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000245553856 387960424 /nfs/dbraw/zinc/96/04/24/387960424.db2.gz GIVQUGXDIINDBI-CVEARBPZSA-N 2 2 248.414 2.903 20 0 BFADLP C1=CC[C@@H](C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000245553856 387960427 /nfs/dbraw/zinc/96/04/27/387960427.db2.gz GIVQUGXDIINDBI-CVEARBPZSA-N 2 2 248.414 2.903 20 0 BFADLP Cc1ccnc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000423175952 387962864 /nfs/dbraw/zinc/96/28/64/387962864.db2.gz FVHRXJCTSNXBBF-CYBMUJFWSA-N 2 2 247.386 2.702 20 0 BFADLP CCCC[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045106195 387963705 /nfs/dbraw/zinc/96/37/05/387963705.db2.gz UDHBXQXPYCLBES-CYBMUJFWSA-N 2 2 223.364 2.832 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+](C)CC)C1CCCCC1 ZINC000158830286 387964900 /nfs/dbraw/zinc/96/49/00/387964900.db2.gz JORRVWXTBYACGI-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+](C)CC)C1CCCCC1 ZINC000158830286 387964903 /nfs/dbraw/zinc/96/49/03/387964903.db2.gz JORRVWXTBYACGI-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000045094415 387964980 /nfs/dbraw/zinc/96/49/80/387964980.db2.gz GKAZWSBGHDZTMN-CYBMUJFWSA-N 2 2 247.342 2.916 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423183256 387967068 /nfs/dbraw/zinc/96/70/68/387967068.db2.gz HOBIBJWTJPEVFM-KBPBESRZSA-N 2 2 236.334 2.618 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1C ZINC000423187616 387971108 /nfs/dbraw/zinc/97/11/08/387971108.db2.gz KXRQPPPJMRLDLN-UONOGXRCSA-N 2 2 232.371 2.706 20 0 BFADLP CC(C)C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423196957 387981389 /nfs/dbraw/zinc/98/13/89/387981389.db2.gz XASBNKWVIYZOTB-DZGCQCFKSA-N 2 2 247.386 2.510 20 0 BFADLP c1cn(CCC[NH2+][C@H](C2CC2)C2CCCC2)c[nH+]1 ZINC000453054359 387973248 /nfs/dbraw/zinc/97/32/48/387973248.db2.gz HOHGXUZLWBZFSC-HNNXBMFYSA-N 2 2 247.386 2.832 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453061308 387976290 /nfs/dbraw/zinc/97/62/90/387976290.db2.gz SPFIBCVIZVVYAK-HNNXBMFYSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453063017 387976597 /nfs/dbraw/zinc/97/65/97/387976597.db2.gz GLVDCRHTMQUFIW-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453063017 387976601 /nfs/dbraw/zinc/97/66/01/387976601.db2.gz GLVDCRHTMQUFIW-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423192159 387977579 /nfs/dbraw/zinc/97/75/79/387977579.db2.gz PQVKCHGZPVUTDK-XJKCOSOUSA-N 2 2 244.382 2.967 20 0 BFADLP C[NH+](C)CC[NH2+][C@H](C1CCC1)C1CCCCC1 ZINC000424358035 387988651 /nfs/dbraw/zinc/98/86/51/387988651.db2.gz XCYJLBJBIKYLOA-HNNXBMFYSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000423207790 387993161 /nfs/dbraw/zinc/99/31/61/387993161.db2.gz SGZQJIFOKHZFEW-CABCVRRESA-N 2 2 232.371 2.869 20 0 BFADLP C[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)[N@H+](C)C1CC1 ZINC000453096066 387983510 /nfs/dbraw/zinc/98/35/10/387983510.db2.gz IAXIZKYEEPOVAP-NHYWBVRUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@H](C1CC1)C1CCC1)[N@@H+](C)C1CC1 ZINC000453096066 387983515 /nfs/dbraw/zinc/98/35/15/387983515.db2.gz IAXIZKYEEPOVAP-NHYWBVRUSA-N 2 2 236.403 2.637 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000423225300 388007773 /nfs/dbraw/zinc/00/77/73/388007773.db2.gz MCQYBKAYVSVCDG-GFCCVEGCSA-N 2 2 220.360 2.680 20 0 BFADLP CCCCc1ccc([C@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423224877 388007822 /nfs/dbraw/zinc/00/78/22/388007822.db2.gz KGJPXQBANCMFDV-ZDUSSCGKSA-N 2 2 234.387 2.899 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000453196764 388008479 /nfs/dbraw/zinc/00/84/79/388008479.db2.gz FPGYPWREQHUCQR-KGLIPLIRSA-N 2 2 247.386 2.756 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000423241798 388024468 /nfs/dbraw/zinc/02/44/68/388024468.db2.gz ILYUKPHXBWSBTD-OAHLLOKOSA-N 2 2 232.371 2.645 20 0 BFADLP Cc1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCC2)o1 ZINC000423241294 388024985 /nfs/dbraw/zinc/02/49/85/388024985.db2.gz UYYXVPUKWNQKOV-UKRRQHHQSA-N 2 2 248.370 2.771 20 0 BFADLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccc(Cl)s1 ZINC000423226921 388011499 /nfs/dbraw/zinc/01/14/99/388011499.db2.gz SUMBJBGSXBMMEU-MRVPVSSYSA-N 2 2 232.780 2.662 20 0 BFADLP CCc1ccc([C@H](CC)[NH2+]CC[NH2+]C)cc1 ZINC000423227171 388011518 /nfs/dbraw/zinc/01/15/18/388011518.db2.gz USFKAQQXABBHMT-AWEZNQCLSA-N 2 2 220.360 2.509 20 0 BFADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000423230939 388017541 /nfs/dbraw/zinc/01/75/41/388017541.db2.gz ABFUANZKOFERGF-AAEUAGOBSA-N 2 2 220.360 2.711 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1C ZINC000423234129 388018221 /nfs/dbraw/zinc/01/82/21/388018221.db2.gz KZYOWKCLCCDXIV-ZIAGYGMSSA-N 2 2 232.371 2.706 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC000423242838 388026113 /nfs/dbraw/zinc/02/61/13/388026113.db2.gz VYSXPEPPVCMVFW-GHMZBOCLSA-N 2 2 238.400 2.713 20 0 BFADLP CC(C)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000423237914 388022850 /nfs/dbraw/zinc/02/28/50/388022850.db2.gz QKYFMJJTGAOQLA-ZFWWWQNUSA-N 2 2 247.386 2.510 20 0 BFADLP CC(C)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000423237913 388023106 /nfs/dbraw/zinc/02/31/06/388023106.db2.gz QKYFMJJTGAOQLA-UKRRQHHQSA-N 2 2 247.386 2.510 20 0 BFADLP CCCc1ccc([C@H](C)[NH2+]CC[NH2+]CC)cc1 ZINC000423248878 388032143 /nfs/dbraw/zinc/03/21/43/388032143.db2.gz RFGVCQAKWFRLAF-ZDUSSCGKSA-N 2 2 234.387 2.899 20 0 BFADLP C[NH2+]CC[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000423253055 388035364 /nfs/dbraw/zinc/03/53/64/388035364.db2.gz YMGSCMWQADCEGD-AWEZNQCLSA-N 2 2 232.371 2.608 20 0 BFADLP CC(C)C1CC([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000423254341 388035834 /nfs/dbraw/zinc/03/58/34/388035834.db2.gz ZZJIEHSZDYENAF-NRXISQOPSA-N 2 2 232.371 2.711 20 0 BFADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000423252662 388036139 /nfs/dbraw/zinc/03/61/39/388036139.db2.gz YASATBZBBRXKCY-DOMZBBRYSA-N 2 2 232.371 2.855 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000082859328 388043190 /nfs/dbraw/zinc/04/31/90/388043190.db2.gz KJSDEEWGELCFGT-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000082859328 388043192 /nfs/dbraw/zinc/04/31/92/388043192.db2.gz KJSDEEWGELCFGT-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000423242934 388026572 /nfs/dbraw/zinc/02/65/72/388026572.db2.gz JQHVFPNWDJHRBP-ZDUSSCGKSA-N 2 2 220.360 2.564 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCC1 ZINC000423244937 388027690 /nfs/dbraw/zinc/02/76/90/388027690.db2.gz IANJLCBZOJMAAU-CABCVRRESA-N 2 2 232.371 2.855 20 0 BFADLP C[NH2+]CC[NH2+][C@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000423247415 388029852 /nfs/dbraw/zinc/02/98/52/388029852.db2.gz PFBOJUAFNAEPON-GJZGRUSLSA-N 2 2 232.371 2.680 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)o1 ZINC000423278160 388058526 /nfs/dbraw/zinc/05/85/26/388058526.db2.gz QQXJMMPOLPZTTM-NEPJUHHUSA-N 2 2 224.348 2.612 20 0 BFADLP CC1(C)Cc2occc2[C@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000423283010 388064747 /nfs/dbraw/zinc/06/47/47/388064747.db2.gz VPRMDOMXMQXYDQ-OLZOCXBDSA-N 2 2 248.370 2.620 20 0 BFADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@@H](C[NH3+])C2CC2)C1 ZINC000423283012 388064898 /nfs/dbraw/zinc/06/48/98/388064898.db2.gz VPRMDOMXMQXYDQ-STQMWFEESA-N 2 2 248.370 2.620 20 0 BFADLP CC1(C)Cc2occc2[C@@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000423283011 388066043 /nfs/dbraw/zinc/06/60/43/388066043.db2.gz VPRMDOMXMQXYDQ-QWHCGFSZSA-N 2 2 248.370 2.620 20 0 BFADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1csc(Cl)c1 ZINC000423284902 388068852 /nfs/dbraw/zinc/06/88/52/388068852.db2.gz XKMGZVOQMUMRKR-GMSGAONNSA-N 2 2 244.791 2.789 20 0 BFADLP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)ccc1F ZINC000423286476 388071813 /nfs/dbraw/zinc/07/18/13/388071813.db2.gz HPCJISXNMZTIRL-GFCCVEGCSA-N 2 2 242.313 2.743 20 0 BFADLP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1F ZINC000423287765 388073154 /nfs/dbraw/zinc/07/31/54/388073154.db2.gz OKYYZKIHQKTCMX-GFCCVEGCSA-N 2 2 242.313 2.743 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000084342744 388076710 /nfs/dbraw/zinc/07/67/10/388076710.db2.gz YWRXFSBYLIUUGI-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000084342744 388076712 /nfs/dbraw/zinc/07/67/12/388076712.db2.gz YWRXFSBYLIUUGI-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000423296699 388078218 /nfs/dbraw/zinc/07/82/18/388078218.db2.gz HKGYXIAKJOOYLY-STQMWFEESA-N 2 2 235.375 2.558 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000453426149 388081180 /nfs/dbraw/zinc/08/11/80/388081180.db2.gz YSKSAAXJMZCJLA-HUBLWGQQSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000453426149 388081182 /nfs/dbraw/zinc/08/11/82/388081182.db2.gz YSKSAAXJMZCJLA-HUBLWGQQSA-N 2 2 236.403 2.637 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000085085309 388084035 /nfs/dbraw/zinc/08/40/35/388084035.db2.gz NOTFYCJCQUMCHY-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000085085309 388084037 /nfs/dbraw/zinc/08/40/37/388084037.db2.gz NOTFYCJCQUMCHY-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000453600101 388089662 /nfs/dbraw/zinc/08/96/62/388089662.db2.gz CESOGNLJVVICMY-HUUCEWRRSA-N 2 2 246.398 2.720 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000261527989 135152494 /nfs/dbraw/zinc/15/24/94/135152494.db2.gz IKIFYDSCWPGKRK-RNJXMRFFSA-N 2 2 232.780 2.788 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000463700793 388092720 /nfs/dbraw/zinc/09/27/20/388092720.db2.gz ZAPWAYSHWSODFP-UKRRQHHQSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000463700793 388092722 /nfs/dbraw/zinc/09/27/22/388092722.db2.gz ZAPWAYSHWSODFP-UKRRQHHQSA-N 2 2 236.403 2.807 20 0 BFADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1Cc2ccccc2C1 ZINC000533277865 388046399 /nfs/dbraw/zinc/04/63/99/388046399.db2.gz HFJFCGXASVCTMH-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP C[N@H+]1CCCC[C@H]1CC[NH+]1Cc2ccccc2C1 ZINC000533277865 388046402 /nfs/dbraw/zinc/04/64/02/388046402.db2.gz HFJFCGXASVCTMH-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP CC(C)C1CC([NH2+]CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000488459951 388180975 /nfs/dbraw/zinc/18/09/75/388180975.db2.gz ONAHNPPRNSPXGK-NFOMZHRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C1CC([NH2+]CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000488459951 388180977 /nfs/dbraw/zinc/18/09/77/388180977.db2.gz ONAHNPPRNSPXGK-NFOMZHRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(F)F ZINC000449364964 388183438 /nfs/dbraw/zinc/18/34/38/388183438.db2.gz UOVJOROAHSCNKK-LBPRGKRZSA-N 2 2 242.313 2.956 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000449092702 388141526 /nfs/dbraw/zinc/14/15/26/388141526.db2.gz MUWYLPWWMYGWEE-INIZCTEOSA-N 2 2 246.398 2.611 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000449092702 388141528 /nfs/dbraw/zinc/14/15/28/388141528.db2.gz MUWYLPWWMYGWEE-INIZCTEOSA-N 2 2 246.398 2.611 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2ccoc21 ZINC000449099883 388142372 /nfs/dbraw/zinc/14/23/72/388142372.db2.gz ADXVZXKGQXGYBO-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc2ccoc21 ZINC000449099883 388142373 /nfs/dbraw/zinc/14/23/73/388142373.db2.gz ADXVZXKGQXGYBO-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP CC/C=C/C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449452369 388209124 /nfs/dbraw/zinc/20/91/24/388209124.db2.gz FUSAABVNSLTAPR-ONEGZZNKSA-N 2 2 247.367 2.990 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000449558694 388227979 /nfs/dbraw/zinc/22/79/79/388227979.db2.gz ZJHUSMHPRQVXBE-AGIUHOORSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)[NH+](C)C ZINC000449558587 388231843 /nfs/dbraw/zinc/23/18/43/388231843.db2.gz YGMRLRGQYBEVFK-IMJJTQAJSA-N 2 2 246.398 2.862 20 0 BFADLP CSC[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000276266691 388348780 /nfs/dbraw/zinc/34/87/80/388348780.db2.gz BXXBULNIRJTEDC-LBPRGKRZSA-N 2 2 238.400 2.664 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1C[C@H]1C ZINC000289229818 388351353 /nfs/dbraw/zinc/35/13/53/388351353.db2.gz KCOFSDGADFGFKD-OCCSQVGLSA-N 2 2 218.344 2.568 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000235095270 388365065 /nfs/dbraw/zinc/36/50/65/388365065.db2.gz YNFUVQOJGSBUST-JGVFFNPUSA-N 2 2 247.169 2.991 20 0 BFADLP CC(C)[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000163857236 388368870 /nfs/dbraw/zinc/36/88/70/388368870.db2.gz PMJLMCJSUWMNEW-OAHLLOKOSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccoc1 ZINC000165621581 388406754 /nfs/dbraw/zinc/40/67/54/388406754.db2.gz QXGZBDWNAFIUEP-LBPRGKRZSA-N 2 2 248.370 2.805 20 0 BFADLP CC/C=C\CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000572972334 388400971 /nfs/dbraw/zinc/40/09/71/388400971.db2.gz VCMFHLVARXRLIZ-DSYXLKISSA-N 2 2 233.359 2.566 20 0 BFADLP CC/C=C\CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000572972334 388400972 /nfs/dbraw/zinc/40/09/72/388400972.db2.gz VCMFHLVARXRLIZ-DSYXLKISSA-N 2 2 233.359 2.566 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]C(C)(C)C[NH+](C)C ZINC000308606127 388443526 /nfs/dbraw/zinc/44/35/26/388443526.db2.gz AOBNUJUVTPYQII-LBPRGKRZSA-N 2 2 214.397 2.598 20 0 BFADLP C[C@H]1CCCC[C@H]1C[NH2+]C(C)(C)C[NH+](C)C ZINC000308610037 388443576 /nfs/dbraw/zinc/44/35/76/388443576.db2.gz VYWASVIPNRCCKK-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C1CCC1 ZINC000322686107 388443985 /nfs/dbraw/zinc/44/39/85/388443985.db2.gz KVTRPISJLRWDQG-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C1CCC1 ZINC000322686107 388443986 /nfs/dbraw/zinc/44/39/86/388443986.db2.gz KVTRPISJLRWDQG-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]([NH2+]CC[NH+]1CCCC1)C1CCC1 ZINC000322720167 388445141 /nfs/dbraw/zinc/44/51/41/388445141.db2.gz SUAHTFSYNOSXKK-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397586365 388480962 /nfs/dbraw/zinc/48/09/62/388480962.db2.gz APTXRCAAUXOAQJ-OLZOCXBDSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336673914 388461422 /nfs/dbraw/zinc/46/14/22/388461422.db2.gz BAZBQXWSSQDGFI-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336673914 388461424 /nfs/dbraw/zinc/46/14/24/388461424.db2.gz BAZBQXWSSQDGFI-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC000573030183 388409337 /nfs/dbraw/zinc/40/93/37/388409337.db2.gz HSWRWAUYMGDZKJ-OAHLLOKOSA-N 2 2 247.386 2.744 20 0 BFADLP CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CC1(C)C ZINC000397567015 388479628 /nfs/dbraw/zinc/47/96/28/388479628.db2.gz BEVPLPLGLJEVRW-KBPBESRZSA-N 2 2 249.402 2.767 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC000393631194 388436180 /nfs/dbraw/zinc/43/61/80/388436180.db2.gz OCMFXTLTEPYEHD-AGIUHOORSA-N 2 2 214.397 2.741 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397801538 388499986 /nfs/dbraw/zinc/49/99/86/388499986.db2.gz LSTYZQHFUWTGIX-GXTWGEPZSA-N 2 2 236.403 2.663 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000397810721 388501076 /nfs/dbraw/zinc/50/10/76/388501076.db2.gz PDGMHIVTHXMAAC-KGLIPLIRSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397837181 388504649 /nfs/dbraw/zinc/50/46/49/388504649.db2.gz FMBAXWJNSVWYIK-HNNXBMFYSA-N 2 2 246.398 2.692 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000397847009 388505108 /nfs/dbraw/zinc/50/51/08/388505108.db2.gz IOFVQGWXEBJJCZ-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH+](C)C1(C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000397853314 388506462 /nfs/dbraw/zinc/50/64/62/388506462.db2.gz LBAFKSNQZKJJOB-UHFFFAOYSA-N 2 2 244.382 2.748 20 0 BFADLP C/C(Cl)=C/C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528414946 388521385 /nfs/dbraw/zinc/52/13/85/388521385.db2.gz ADCPBBLAMVJIBU-NEOSZVFXSA-N 2 2 239.750 2.732 20 0 BFADLP C/C(Cl)=C/C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528414946 388521388 /nfs/dbraw/zinc/52/13/88/388521388.db2.gz ADCPBBLAMVJIBU-NEOSZVFXSA-N 2 2 239.750 2.732 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)CC ZINC000577818645 388524516 /nfs/dbraw/zinc/52/45/16/388524516.db2.gz BLISVCXVAOJAMH-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)CC ZINC000577818645 388524519 /nfs/dbraw/zinc/52/45/19/388524519.db2.gz BLISVCXVAOJAMH-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C/C(Cl)=C\C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000528479443 388532893 /nfs/dbraw/zinc/53/28/93/388532893.db2.gz WSCNFLQCMNDODX-BCMYLCSRSA-N 2 2 230.783 2.545 20 0 BFADLP C/C(Cl)=C\C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000528479443 388532894 /nfs/dbraw/zinc/53/28/94/388532894.db2.gz WSCNFLQCMNDODX-BCMYLCSRSA-N 2 2 230.783 2.545 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCC12CCCC2)[NH+](C)C ZINC000328217792 388586395 /nfs/dbraw/zinc/58/63/95/388586395.db2.gz YSKWDTPXYLVGKZ-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000245871784 388608865 /nfs/dbraw/zinc/60/88/65/388608865.db2.gz LIFKUAYQXJIERB-QLFBSQMISA-N 2 2 247.386 2.926 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000245871784 388608867 /nfs/dbraw/zinc/60/88/67/388608867.db2.gz LIFKUAYQXJIERB-QLFBSQMISA-N 2 2 247.386 2.926 20 0 BFADLP c1cn(CCCC[NH2+][C@H]2CC[C@H]2C2CCC2)c[nH+]1 ZINC000548884852 388568564 /nfs/dbraw/zinc/56/85/64/388568564.db2.gz KIMZGLULJKETCF-GJZGRUSLSA-N 2 2 247.386 2.832 20 0 BFADLP CC[N@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000248423685 388678874 /nfs/dbraw/zinc/67/88/74/388678874.db2.gz GMCNDHYALXIJLC-KBPBESRZSA-N 2 2 224.392 2.520 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000248423685 388678875 /nfs/dbraw/zinc/67/88/75/388678875.db2.gz GMCNDHYALXIJLC-KBPBESRZSA-N 2 2 224.392 2.520 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC000530213540 388628978 /nfs/dbraw/zinc/62/89/78/388628978.db2.gz WSNQQGXHWSHCAO-WCQYABFASA-N 2 2 224.392 2.624 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC000530213540 388628981 /nfs/dbraw/zinc/62/89/81/388628981.db2.gz WSNQQGXHWSHCAO-WCQYABFASA-N 2 2 224.392 2.624 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530218208 388631552 /nfs/dbraw/zinc/63/15/52/388631552.db2.gz IERSEDALXLVCGO-CMPLNLGQSA-N 2 2 236.384 2.683 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)o1 ZINC000530222823 388634453 /nfs/dbraw/zinc/63/44/53/388634453.db2.gz RYHNTBKOKDRTRP-BXUZGUMPSA-N 2 2 248.370 2.832 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154602409 388634803 /nfs/dbraw/zinc/63/48/03/388634803.db2.gz CXHMZXGOFLUAIZ-RDBSUJKOSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154602409 388634806 /nfs/dbraw/zinc/63/48/06/388634806.db2.gz CXHMZXGOFLUAIZ-RDBSUJKOSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154627426 388638759 /nfs/dbraw/zinc/63/87/59/388638759.db2.gz LFSOJRKSNLXIAX-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154627426 388638762 /nfs/dbraw/zinc/63/87/62/388638762.db2.gz LFSOJRKSNLXIAX-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000552254591 388686770 /nfs/dbraw/zinc/68/67/70/388686770.db2.gz MLFNAMZXRYJMBF-ILXRZTDVSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000552254591 388686773 /nfs/dbraw/zinc/68/67/73/388686773.db2.gz MLFNAMZXRYJMBF-ILXRZTDVSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000530386853 388653186 /nfs/dbraw/zinc/65/31/86/388653186.db2.gz SBRJEODLIOEUMS-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000530386853 388653188 /nfs/dbraw/zinc/65/31/88/388653188.db2.gz SBRJEODLIOEUMS-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)[N@H+](C)C1CC1 ZINC000247185994 388660863 /nfs/dbraw/zinc/66/08/63/388660863.db2.gz ZQBNWNSFXIEKTM-COMQUAJESA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000247185994 388660865 /nfs/dbraw/zinc/66/08/65/388660865.db2.gz ZQBNWNSFXIEKTM-COMQUAJESA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@H]1CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000552034350 388661880 /nfs/dbraw/zinc/66/18/80/388661880.db2.gz QCVCINJIBQXAIY-ZIAGYGMSSA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000552254593 388687016 /nfs/dbraw/zinc/68/70/16/388687016.db2.gz MLFNAMZXRYJMBF-QLFBSQMISA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000552254593 388687020 /nfs/dbraw/zinc/68/70/20/388687020.db2.gz MLFNAMZXRYJMBF-QLFBSQMISA-N 2 2 238.419 2.743 20 0 BFADLP CCC[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249398699 388720915 /nfs/dbraw/zinc/72/09/15/388720915.db2.gz UJCLYPPEAVRXNM-KBPBESRZSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249398699 388720916 /nfs/dbraw/zinc/72/09/16/388720916.db2.gz UJCLYPPEAVRXNM-KBPBESRZSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000540170070 388798701 /nfs/dbraw/zinc/79/87/01/388798701.db2.gz YMAOJPMDKDAMEQ-XJKCOSOUSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000540170070 388798704 /nfs/dbraw/zinc/79/87/04/388798704.db2.gz YMAOJPMDKDAMEQ-XJKCOSOUSA-N 2 2 244.382 2.820 20 0 BFADLP CC(C)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C[C@H]1C ZINC000554094318 388798942 /nfs/dbraw/zinc/79/89/42/388798942.db2.gz DBEMWZMXPDJPCL-QPSCCSFWSA-N 2 2 240.435 2.987 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311609 388831228 /nfs/dbraw/zinc/83/12/28/388831228.db2.gz NVJMTGSGOJQLDQ-DOMZBBRYSA-N 2 2 232.371 2.591 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311609 388831229 /nfs/dbraw/zinc/83/12/29/388831229.db2.gz NVJMTGSGOJQLDQ-DOMZBBRYSA-N 2 2 232.371 2.591 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000230986809 388833873 /nfs/dbraw/zinc/83/38/73/388833873.db2.gz UHMOFIHKDHPPSA-LSDHHAIUSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000230996978 388833958 /nfs/dbraw/zinc/83/39/58/388833958.db2.gz LGQUAWDWKJVIEY-BFHYXJOUSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CC(C(C)C)C1 ZINC000232604543 388854404 /nfs/dbraw/zinc/85/44/04/388854404.db2.gz TYBQLXHJXFDUMH-NRXISQOPSA-N 2 2 240.435 2.987 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC=C(C)CC1 ZINC000556231592 388871596 /nfs/dbraw/zinc/87/15/96/388871596.db2.gz BAALVECGFXRQNH-LSDHHAIUSA-N 2 2 236.403 2.949 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC=C(C)CC1 ZINC000556231592 388871598 /nfs/dbraw/zinc/87/15/98/388871598.db2.gz BAALVECGFXRQNH-LSDHHAIUSA-N 2 2 236.403 2.949 20 0 BFADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccoc1 ZINC000094868779 388874492 /nfs/dbraw/zinc/87/44/92/388874492.db2.gz GVRHIMDYQFCHOW-LLVKDONJSA-N 2 2 234.343 2.557 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)[C@@H]1C ZINC000494910324 533642525 /nfs/dbraw/zinc/64/25/25/533642525.db2.gz NWWABMCQHHWGRJ-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1Cc2ccccc2[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000104185372 132267323 /nfs/dbraw/zinc/26/73/23/132267323.db2.gz ALYBVESKYKEKGX-ZDUSSCGKSA-N 2 2 244.382 2.685 20 0 BFADLP C[C@H]1Cc2ccccc2[N@H+](CC2CC[NH2+]CC2)C1 ZINC000104185372 132267327 /nfs/dbraw/zinc/26/73/27/132267327.db2.gz ALYBVESKYKEKGX-ZDUSSCGKSA-N 2 2 244.382 2.685 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(C)o1 ZINC000335498657 133867977 /nfs/dbraw/zinc/86/79/77/133867977.db2.gz SGJBMDLPYFPMIA-AAEUAGOBSA-N 2 2 236.359 2.689 20 0 BFADLP CC1(C)CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000336004321 134048331 /nfs/dbraw/zinc/04/83/31/134048331.db2.gz VGARJVPPBRPIFU-RYUDHWBXSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000336004321 134048332 /nfs/dbraw/zinc/04/83/32/134048332.db2.gz VGARJVPPBRPIFU-RYUDHWBXSA-N 2 2 247.386 2.825 20 0 BFADLP c1cc(O[C@H]2CC[N@@H+]([C@H]3C=CCCC3)C2)cc[nH+]1 ZINC000336216455 134137271 /nfs/dbraw/zinc/13/72/71/134137271.db2.gz NFFOEFNPYGFHES-ZFWWWQNUSA-N 2 2 244.338 2.643 20 0 BFADLP c1cc(O[C@H]2CC[N@H+]([C@H]3C=CCCC3)C2)cc[nH+]1 ZINC000336216455 134137272 /nfs/dbraw/zinc/13/72/72/134137272.db2.gz NFFOEFNPYGFHES-ZFWWWQNUSA-N 2 2 244.338 2.643 20 0 BFADLP CC1(C)CC[C@@H]([N@@H+]2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC000168619194 134231950 /nfs/dbraw/zinc/23/19/50/134231950.db2.gz WUTCDYCWHVAKRO-ZIAGYGMSSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@@H]([N@H+]2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC000168619194 134231951 /nfs/dbraw/zinc/23/19/51/134231951.db2.gz WUTCDYCWHVAKRO-ZIAGYGMSSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@@H]([NH+]2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000168619194 134231952 /nfs/dbraw/zinc/23/19/52/134231952.db2.gz WUTCDYCWHVAKRO-ZIAGYGMSSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@@H]([NH+]2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000168619194 134231953 /nfs/dbraw/zinc/23/19/53/134231953.db2.gz WUTCDYCWHVAKRO-ZIAGYGMSSA-N 2 2 236.403 2.735 20 0 BFADLP c1[nH]c(C[NH2+]C2(c3ccccc3)CCCC2)c[nH+]1 ZINC000172173223 134262753 /nfs/dbraw/zinc/26/27/53/134262753.db2.gz INDYYVYPUJLEPI-UHFFFAOYSA-N 2 2 241.338 2.969 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C/C=C\c1ccccc1 ZINC000220541040 134309596 /nfs/dbraw/zinc/30/95/96/134309596.db2.gz WQULGBFPHNXRGL-PODYEWJSSA-N 2 2 241.338 2.575 20 0 BFADLP CCCc1[nH+]ccn1CCCCn1cc[nH+]c1C ZINC000179313127 134320116 /nfs/dbraw/zinc/32/01/16/134320116.db2.gz HTPAMYIICOJPIM-UHFFFAOYSA-N 2 2 246.358 2.821 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H](C)C1 ZINC000221671256 134325930 /nfs/dbraw/zinc/32/59/30/134325930.db2.gz SOAFNEBHEDILCS-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000222705928 134334047 /nfs/dbraw/zinc/33/40/47/134334047.db2.gz ZFLISJVTLMQLPK-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000222705928 134334048 /nfs/dbraw/zinc/33/40/48/134334048.db2.gz ZFLISJVTLMQLPK-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP c1cn(CCNc2cc[nH+]c3ccsc32)c[nH+]1 ZINC000183724092 134353798 /nfs/dbraw/zinc/35/37/98/134353798.db2.gz MMBYMHNVKOXICS-UHFFFAOYSA-N 2 2 244.323 2.605 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000226182972 134359738 /nfs/dbraw/zinc/35/97/38/134359738.db2.gz VUNWNIAPNPSUSF-RDBSUJKOSA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C1CCC(C)(C)CC1 ZINC000070654311 135004330 /nfs/dbraw/zinc/00/43/30/135004330.db2.gz FLHMBQNHMKZKDJ-UHFFFAOYSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C1CCC(C)(C)CC1 ZINC000070654311 135004331 /nfs/dbraw/zinc/00/43/31/135004331.db2.gz FLHMBQNHMKZKDJ-UHFFFAOYSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000070761915 135012342 /nfs/dbraw/zinc/01/23/42/135012342.db2.gz NMQVLGDXEGDCSL-UONOGXRCSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000248695995 135019840 /nfs/dbraw/zinc/01/98/40/135019840.db2.gz DDDUWQMKVVFXQH-UKRRQHHQSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000248695995 135019842 /nfs/dbraw/zinc/01/98/42/135019842.db2.gz DDDUWQMKVVFXQH-UKRRQHHQSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000250242229 135050507 /nfs/dbraw/zinc/05/05/07/135050507.db2.gz HMOSTUZAKAXZSW-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000250242229 135050509 /nfs/dbraw/zinc/05/05/09/135050509.db2.gz HMOSTUZAKAXZSW-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000250437874 135055221 /nfs/dbraw/zinc/05/52/21/135055221.db2.gz OFOZWGCEYUEUHN-OLZOCXBDSA-N 2 2 248.370 2.558 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000250437874 135055224 /nfs/dbraw/zinc/05/52/24/135055224.db2.gz OFOZWGCEYUEUHN-OLZOCXBDSA-N 2 2 248.370 2.558 20 0 BFADLP C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250630808 135056855 /nfs/dbraw/zinc/05/68/55/135056855.db2.gz CUAQLCBVDSFTND-ILXRZTDVSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250630808 135056856 /nfs/dbraw/zinc/05/68/56/135056856.db2.gz CUAQLCBVDSFTND-ILXRZTDVSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000250891331 135060567 /nfs/dbraw/zinc/06/05/67/135060567.db2.gz DXAKCHBSZZVXAB-AVGNSLFASA-N 2 2 234.343 2.557 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000250891331 135060569 /nfs/dbraw/zinc/06/05/69/135060569.db2.gz DXAKCHBSZZVXAB-AVGNSLFASA-N 2 2 234.343 2.557 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000251606248 135072058 /nfs/dbraw/zinc/07/20/58/135072058.db2.gz BXBUBDGZWBXUKP-MCIONIFRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000251606248 135072060 /nfs/dbraw/zinc/07/20/60/135072060.db2.gz BXBUBDGZWBXUKP-MCIONIFRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000251622699 135072824 /nfs/dbraw/zinc/07/28/24/135072824.db2.gz DLSXHOSYJUHNSC-AAVRWANBSA-N 2 2 235.375 2.686 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C[C@H]1C ZINC000251929095 135081451 /nfs/dbraw/zinc/08/14/51/135081451.db2.gz VEOPCMPDNUQXLZ-MGPQQGTHSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000252138164 135084836 /nfs/dbraw/zinc/08/48/36/135084836.db2.gz LUIYECNSSUXVOK-FICVDOATSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1C ZINC000252186408 135086909 /nfs/dbraw/zinc/08/69/09/135086909.db2.gz QWTAULCUXHCVLO-FRRDWIJNSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000258707369 135133280 /nfs/dbraw/zinc/13/32/80/135133280.db2.gz HOLMQQOARPYLQU-GFCCVEGCSA-N 2 2 228.339 2.619 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000258707369 135133282 /nfs/dbraw/zinc/13/32/82/135133282.db2.gz HOLMQQOARPYLQU-GFCCVEGCSA-N 2 2 228.339 2.619 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533369 135165207 /nfs/dbraw/zinc/16/52/07/135165207.db2.gz HIGMKGZIDGFPKR-GIPNMCIBSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533369 135165208 /nfs/dbraw/zinc/16/52/08/135165208.db2.gz HIGMKGZIDGFPKR-GIPNMCIBSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533905 135165492 /nfs/dbraw/zinc/16/54/92/135165492.db2.gz LCFCWYJPOBRNJQ-GBIKHYSHSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533905 135165493 /nfs/dbraw/zinc/16/54/93/135165493.db2.gz LCFCWYJPOBRNJQ-GBIKHYSHSA-N 2 2 238.762 2.680 20 0 BFADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1sccc1Cl ZINC000261537383 135173818 /nfs/dbraw/zinc/17/38/18/135173818.db2.gz VLOWXOWJHYTBIT-NSHDSACASA-N 2 2 246.807 2.865 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000261548670 135187632 /nfs/dbraw/zinc/18/76/32/135187632.db2.gz NVAXZAIIBYTCCS-RKDXNWHRSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261548670 135187634 /nfs/dbraw/zinc/18/76/34/135187634.db2.gz NVAXZAIIBYTCCS-RKDXNWHRSA-N 2 2 244.791 2.571 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261564695 135206859 /nfs/dbraw/zinc/20/68/59/135206859.db2.gz HJQYFYSWSMZMLG-BBRMVZONSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261564695 135206860 /nfs/dbraw/zinc/20/68/60/135206860.db2.gz HJQYFYSWSMZMLG-BBRMVZONSA-N 2 2 246.398 2.807 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]CC1CCCCCC1 ZINC000084328331 135211369 /nfs/dbraw/zinc/21/13/69/135211369.db2.gz YVZNSFCVTHGJQG-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)c1cccc2c1CC[N@H+](CC(C)(C)[NH3+])C2 ZINC000261738977 135249240 /nfs/dbraw/zinc/24/92/40/135249240.db2.gz KVTVHRZKVIOVSX-UHFFFAOYSA-N 2 2 246.398 2.905 20 0 BFADLP CC(C)c1cccc2c1CC[N@@H+](CC(C)(C)[NH3+])C2 ZINC000261738977 135249242 /nfs/dbraw/zinc/24/92/42/135249242.db2.gz KVTVHRZKVIOVSX-UHFFFAOYSA-N 2 2 246.398 2.905 20 0 BFADLP CCC[N@H+](CCc1cccs1)CC(C)(C)[NH3+] ZINC000261948689 135265592 /nfs/dbraw/zinc/26/55/92/135265592.db2.gz NQHMNIUXKRRFPQ-UHFFFAOYSA-N 2 2 240.416 2.740 20 0 BFADLP CCC[N@@H+](CCc1cccs1)CC(C)(C)[NH3+] ZINC000261948689 135265593 /nfs/dbraw/zinc/26/55/93/135265593.db2.gz NQHMNIUXKRRFPQ-UHFFFAOYSA-N 2 2 240.416 2.740 20 0 BFADLP Cc1cccc(C)c1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000342536233 135280962 /nfs/dbraw/zinc/28/09/62/135280962.db2.gz ICLAHXFKQDWJEB-CQSZACIVSA-N 2 2 243.354 2.851 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000342554328 135287740 /nfs/dbraw/zinc/28/77/40/135287740.db2.gz XVXSXINMHWZFNA-HNNXBMFYSA-N 2 2 247.386 2.846 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C1CCCC1 ZINC000342554328 135287741 /nfs/dbraw/zinc/28/77/41/135287741.db2.gz XVXSXINMHWZFNA-HNNXBMFYSA-N 2 2 247.386 2.846 20 0 BFADLP CCC1CC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000342571949 135290909 /nfs/dbraw/zinc/29/09/09/135290909.db2.gz FKOBMVFLPOLGAI-SSDMNJCBSA-N 2 2 236.403 2.782 20 0 BFADLP CCC1CC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000342571949 135290911 /nfs/dbraw/zinc/29/09/11/135290911.db2.gz FKOBMVFLPOLGAI-SSDMNJCBSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000079653388 135342498 /nfs/dbraw/zinc/34/24/98/135342498.db2.gz PEHUZOYKZLHXNP-CYBMUJFWSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000079653388 135342499 /nfs/dbraw/zinc/34/24/99/135342499.db2.gz PEHUZOYKZLHXNP-CYBMUJFWSA-N 2 2 236.403 2.782 20 0 BFADLP c1cn(CCC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)c[nH+]1 ZINC000081626904 135388535 /nfs/dbraw/zinc/38/85/35/135388535.db2.gz UYLJIJASERAJSU-CABCVRRESA-N 2 2 247.386 2.832 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000078466343 135393540 /nfs/dbraw/zinc/39/35/40/135393540.db2.gz VUNWNIAPNPSUSF-MCIONIFRSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081635071 135428761 /nfs/dbraw/zinc/42/87/61/135428761.db2.gz XUHHJLHRZWYETM-SNPRPXQTSA-N 2 2 247.386 2.830 20 0 BFADLP C[C@@H]1CC([NH2+]CC2([NH+](C)C)CCC2)C[C@@H](C)C1 ZINC000097929046 135632317 /nfs/dbraw/zinc/63/23/17/135632317.db2.gz QTHVVHLZRZMUNC-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000335210093 135957507 /nfs/dbraw/zinc/95/75/07/135957507.db2.gz UPOWLQZQRDQOEH-JQWIXIFHSA-N 2 2 247.367 2.610 20 0 BFADLP Cc1cc[nH+]c(NCCNc2cccc(C)[nH+]2)c1 ZINC000347748303 136010852 /nfs/dbraw/zinc/01/08/52/136010852.db2.gz ZIMLPUQGVVIMJR-UHFFFAOYSA-N 2 2 242.326 2.617 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC12CCC2 ZINC000347866607 136016587 /nfs/dbraw/zinc/01/65/87/136016587.db2.gz OCKQIYLNMKDFIV-UHFFFAOYSA-N 2 2 230.355 2.951 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC12CCC2 ZINC000347866607 136016588 /nfs/dbraw/zinc/01/65/88/136016588.db2.gz OCKQIYLNMKDFIV-UHFFFAOYSA-N 2 2 230.355 2.951 20 0 BFADLP CC[C@H]1CC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000348064464 136025497 /nfs/dbraw/zinc/02/54/97/136025497.db2.gz AKCKSSZZKDMHEI-JSGCOSHPSA-N 2 2 243.354 2.655 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)[N@H+](C)C1CC1 ZINC000348123617 136033028 /nfs/dbraw/zinc/03/30/28/136033028.db2.gz VPECQGNGQGHXOS-MRVWCRGKSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)(C)C)[N@@H+](C)C1CC1 ZINC000348123617 136033029 /nfs/dbraw/zinc/03/30/29/136033029.db2.gz VPECQGNGQGHXOS-MRVWCRGKSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000348070837 136033780 /nfs/dbraw/zinc/03/37/80/136033780.db2.gz IYCJHGCDQGPJMF-OLZOCXBDSA-N 2 2 233.359 2.662 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000348080164 136034294 /nfs/dbraw/zinc/03/42/94/136034294.db2.gz HIMFZWXZLUFWIW-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000348080164 136034295 /nfs/dbraw/zinc/03/42/95/136034295.db2.gz HIMFZWXZLUFWIW-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCC1 ZINC000335327661 136052689 /nfs/dbraw/zinc/05/26/89/136052689.db2.gz DLAMLZMVTFOHGW-UHFFFAOYSA-N 2 2 233.359 2.779 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348251106 136057452 /nfs/dbraw/zinc/05/74/52/136057452.db2.gz YDRKCATVFPYBAT-CVEARBPZSA-N 2 2 246.398 2.720 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348251106 136057453 /nfs/dbraw/zinc/05/74/53/136057453.db2.gz YDRKCATVFPYBAT-CVEARBPZSA-N 2 2 246.398 2.720 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000348300059 136063411 /nfs/dbraw/zinc/06/34/11/136063411.db2.gz IETJQDGGLCJWHH-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000348300059 136063412 /nfs/dbraw/zinc/06/34/12/136063412.db2.gz IETJQDGGLCJWHH-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CCC1 ZINC000348309512 136066582 /nfs/dbraw/zinc/06/65/82/136066582.db2.gz PPMNRKCGPVCAQL-OLZOCXBDSA-N 2 2 238.419 2.885 20 0 BFADLP [NH3+]CC[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000335564054 136107188 /nfs/dbraw/zinc/10/71/88/136107188.db2.gz KBBSRFZIEBOZDE-JTQLQIEISA-N 2 2 245.153 2.529 20 0 BFADLP CC[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000449557008 397956729 /nfs/dbraw/zinc/95/67/29/397956729.db2.gz PESFKXARBVCNLI-KBPBESRZSA-N 2 2 234.387 2.720 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCC1 ZINC000643538454 397919673 /nfs/dbraw/zinc/91/96/73/397919673.db2.gz KPKQSIWNDQLDKC-MELADBBJSA-N 2 2 242.382 2.635 20 0 BFADLP CCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414825884 398049598 /nfs/dbraw/zinc/04/95/98/398049598.db2.gz DFUPWCFQANBNFR-ZIAGYGMSSA-N 2 2 220.360 2.855 20 0 BFADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)s1 ZINC000414855282 398064209 /nfs/dbraw/zinc/06/42/09/398064209.db2.gz WPQZFYJWMQTPBR-SECBINFHSA-N 2 2 246.807 2.865 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@@H](C3CCC3)CC2)c[nH+]1 ZINC000640106307 398071220 /nfs/dbraw/zinc/07/12/20/398071220.db2.gz NSWKQMJVTKSPBO-OAHLLOKOSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@@H](C3CCC3)CC2)c[nH+]1 ZINC000640106307 398071225 /nfs/dbraw/zinc/07/12/25/398071225.db2.gz NSWKQMJVTKSPBO-OAHLLOKOSA-N 2 2 247.386 2.785 20 0 BFADLP CC1CC[NH+](CC[NH2+]C2(C3CCC3)CC2)CC1 ZINC000649810485 398116886 /nfs/dbraw/zinc/11/68/86/398116886.db2.gz MWRRQDWPNPZNAD-UHFFFAOYSA-N 2 2 236.403 2.641 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000393343562 487572492 /nfs/dbraw/zinc/57/24/92/487572492.db2.gz CFAKBCOLZLRZRF-TZMCWYRMSA-N 2 2 248.370 2.527 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000393343562 487572497 /nfs/dbraw/zinc/57/24/97/487572497.db2.gz CFAKBCOLZLRZRF-TZMCWYRMSA-N 2 2 248.370 2.527 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C(C)(C)C)CC2 ZINC000650715338 410351335 /nfs/dbraw/zinc/35/13/35/410351335.db2.gz YSCOHCKXUYKPOY-HNNXBMFYSA-N 2 2 246.398 2.960 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@@H]2C2CCC2)n1C ZINC000668278720 487617776 /nfs/dbraw/zinc/61/77/76/487617776.db2.gz LHTOGORYCLYTLT-OAHLLOKOSA-N 2 2 247.386 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@@H]2C2CCC2)n1C ZINC000668278720 487617783 /nfs/dbraw/zinc/61/77/83/487617783.db2.gz LHTOGORYCLYTLT-OAHLLOKOSA-N 2 2 247.386 2.883 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000665296732 410815156 /nfs/dbraw/zinc/81/51/56/410815156.db2.gz XDZAYXPMIHHHAL-ZANVPECISA-N 2 2 238.762 2.525 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000665294855 410787856 /nfs/dbraw/zinc/78/78/56/410787856.db2.gz XSGXQLIFLZQTEI-PSASIEDQSA-N 2 2 226.389 2.623 20 0 BFADLP CCc1[nH+]ccn1Cc1cc(OC(C)C)cc[nH+]1 ZINC000651192496 410855109 /nfs/dbraw/zinc/85/51/09/410855109.db2.gz PKASIEBLUSAMLH-UHFFFAOYSA-N 2 2 245.326 2.676 20 0 BFADLP CC(C)[NH2+]CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000125262058 167098508 /nfs/dbraw/zinc/09/85/08/167098508.db2.gz YLRNBVQZAGEUHE-BETUJISGSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000125262058 167098510 /nfs/dbraw/zinc/09/85/10/167098510.db2.gz YLRNBVQZAGEUHE-BETUJISGSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000020096508 167110509 /nfs/dbraw/zinc/11/05/09/167110509.db2.gz XIFLABAIXFZXCF-HNNXBMFYSA-N 2 2 232.371 2.822 20 0 BFADLP CC(C)[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000065395495 167133679 /nfs/dbraw/zinc/13/36/79/167133679.db2.gz PNNLWFIOAHUGBY-AWEZNQCLSA-N 2 2 229.327 2.622 20 0 BFADLP CC(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287379903 167134743 /nfs/dbraw/zinc/13/47/43/167134743.db2.gz PJTNRZFPRSILHH-DZGCQCFKSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287379903 167134744 /nfs/dbraw/zinc/13/47/44/167134744.db2.gz PJTNRZFPRSILHH-DZGCQCFKSA-N 2 2 232.371 2.647 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000651667599 411133617 /nfs/dbraw/zinc/13/36/17/411133617.db2.gz JMMATQWHECNCDB-GXTWGEPZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000651833377 411147142 /nfs/dbraw/zinc/14/71/42/411147142.db2.gz ZUUDMGPDQYEWKE-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659996126 411161105 /nfs/dbraw/zinc/16/11/05/411161105.db2.gz XSEFEIWMPYTYKE-JKJDWNRSSA-N 2 2 248.414 2.591 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659996126 411161109 /nfs/dbraw/zinc/16/11/09/411161109.db2.gz XSEFEIWMPYTYKE-JKJDWNRSSA-N 2 2 248.414 2.591 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659996126 411161112 /nfs/dbraw/zinc/16/11/12/411161112.db2.gz XSEFEIWMPYTYKE-JKJDWNRSSA-N 2 2 248.414 2.591 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000659996126 411161114 /nfs/dbraw/zinc/16/11/14/411161114.db2.gz XSEFEIWMPYTYKE-JKJDWNRSSA-N 2 2 248.414 2.591 20 0 BFADLP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091903 411242433 /nfs/dbraw/zinc/24/24/33/411242433.db2.gz NTSUWYVGMJOADO-RYUDHWBXSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091903 411242435 /nfs/dbraw/zinc/24/24/35/411242435.db2.gz NTSUWYVGMJOADO-RYUDHWBXSA-N 2 2 212.381 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000658096920 411244212 /nfs/dbraw/zinc/24/42/12/411244212.db2.gz UOVQCGIIWGUJME-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000658096920 411244214 /nfs/dbraw/zinc/24/42/14/411244214.db2.gz UOVQCGIIWGUJME-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000658013564 411197432 /nfs/dbraw/zinc/19/74/32/411197432.db2.gz VCFWJOGJKMDDSK-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000658013564 411197434 /nfs/dbraw/zinc/19/74/34/411197434.db2.gz VCFWJOGJKMDDSK-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000656225154 411215051 /nfs/dbraw/zinc/21/50/51/411215051.db2.gz DUTUGEKJPDVNPZ-KGLIPLIRSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000656225154 411215053 /nfs/dbraw/zinc/21/50/53/411215053.db2.gz DUTUGEKJPDVNPZ-KGLIPLIRSA-N 2 2 245.370 2.819 20 0 BFADLP CCC(CC)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658056895 411222161 /nfs/dbraw/zinc/22/21/61/411222161.db2.gz MMWTUTVEKGJUBW-LBPRGKRZSA-N 2 2 212.381 2.637 20 0 BFADLP CCC(CC)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658056895 411222164 /nfs/dbraw/zinc/22/21/64/411222164.db2.gz MMWTUTVEKGJUBW-LBPRGKRZSA-N 2 2 212.381 2.637 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658057268 411223423 /nfs/dbraw/zinc/22/34/23/411223423.db2.gz OGKSXIUOZJZXDI-UONOGXRCSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658057268 411223426 /nfs/dbraw/zinc/22/34/26/411223426.db2.gz OGKSXIUOZJZXDI-UONOGXRCSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658059251 411225937 /nfs/dbraw/zinc/22/59/37/411225937.db2.gz WNMLPFCIQHAXHI-RWMBFGLXSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658059251 411225938 /nfs/dbraw/zinc/22/59/38/411225938.db2.gz WNMLPFCIQHAXHI-RWMBFGLXSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000658060335 411226704 /nfs/dbraw/zinc/22/67/04/411226704.db2.gz YVVWJENJYVKANP-STQMWFEESA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000658060335 411226710 /nfs/dbraw/zinc/22/67/10/411226710.db2.gz YVVWJENJYVKANP-STQMWFEESA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000658060332 411226720 /nfs/dbraw/zinc/22/67/20/411226720.db2.gz YVVWJENJYVKANP-OLZOCXBDSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000658060332 411226726 /nfs/dbraw/zinc/22/67/26/411226726.db2.gz YVVWJENJYVKANP-OLZOCXBDSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1C[C@H]1C ZINC000658064029 411229092 /nfs/dbraw/zinc/22/90/92/411229092.db2.gz XNINPDXEBGPBPM-RFGFWPKPSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1C[C@H]1C ZINC000658064029 411229093 /nfs/dbraw/zinc/22/90/93/411229093.db2.gz XNINPDXEBGPBPM-RFGFWPKPSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CCC1 ZINC000658090409 411240331 /nfs/dbraw/zinc/24/03/31/411240331.db2.gz HGRCTCSIQKWFHH-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CCC1 ZINC000658090409 411240333 /nfs/dbraw/zinc/24/03/33/411240333.db2.gz HGRCTCSIQKWFHH-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092926 411242049 /nfs/dbraw/zinc/24/20/49/411242049.db2.gz SIFQNPKUGDHERT-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092926 411242051 /nfs/dbraw/zinc/24/20/51/411242051.db2.gz SIFQNPKUGDHERT-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)n1c[nH+]cc1Cn1c[nH+]c2c1CCCC2 ZINC000130473835 411331011 /nfs/dbraw/zinc/33/10/11/411331011.db2.gz XHAOLCCNRWWZHS-UHFFFAOYSA-N 2 2 244.342 2.588 20 0 BFADLP CCC(C)(C)CC[NH2+]C(C)(C)C[NH+](C)C ZINC000656614339 411311135 /nfs/dbraw/zinc/31/11/35/411311135.db2.gz RZPDAUZXYWELNQ-UHFFFAOYSA-N 2 2 214.397 2.743 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000656675639 411321741 /nfs/dbraw/zinc/32/17/41/411321741.db2.gz HOZQVECBOVIXHN-JSGCOSHPSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000656675639 411321743 /nfs/dbraw/zinc/32/17/43/411321743.db2.gz HOZQVECBOVIXHN-JSGCOSHPSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000658284986 411322226 /nfs/dbraw/zinc/32/22/26/411322226.db2.gz JGQQCLJGYBESFI-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000658284986 411322228 /nfs/dbraw/zinc/32/22/28/411322228.db2.gz JGQQCLJGYBESFI-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP CC1([NH3+])CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000309829886 411260639 /nfs/dbraw/zinc/26/06/39/411260639.db2.gz YGSFKMWGDCNWLQ-UHFFFAOYSA-N 2 2 244.791 2.715 20 0 BFADLP CCC[N@H+](C[C@@H](C)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000304306988 411359337 /nfs/dbraw/zinc/35/93/37/411359337.db2.gz PWVCMHJQZNVHPT-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+](C[C@@H](C)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000304306988 411359342 /nfs/dbraw/zinc/35/93/42/411359342.db2.gz PWVCMHJQZNVHPT-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](CCc1ccccc1)C[N@H+](C)CC(C)(C)[NH3+] ZINC000656782417 411360060 /nfs/dbraw/zinc/36/00/60/411360060.db2.gz GMRJVAOVOTWRRU-CQSZACIVSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H](CCc1ccccc1)C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656782417 411360064 /nfs/dbraw/zinc/36/00/64/411360064.db2.gz GMRJVAOVOTWRRU-CQSZACIVSA-N 2 2 248.414 2.924 20 0 BFADLP Cc1ccc2c(c1)C[N@H+](C[C@H]([NH3+])CC(C)C)CC2 ZINC000656787680 411366086 /nfs/dbraw/zinc/36/60/86/411366086.db2.gz QYWQJTUDYDFYKW-MRXNPFEDSA-N 2 2 246.398 2.727 20 0 BFADLP Cc1ccc2c(c1)C[N@@H+](C[C@H]([NH3+])CC(C)C)CC2 ZINC000656787680 411366091 /nfs/dbraw/zinc/36/60/91/411366091.db2.gz QYWQJTUDYDFYKW-MRXNPFEDSA-N 2 2 246.398 2.727 20 0 BFADLP c1[nH+]cn2c1C[N@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000660582972 411336421 /nfs/dbraw/zinc/33/64/21/411336421.db2.gz CMXNXNKEANHMIV-CYBMUJFWSA-N 2 2 231.343 2.588 20 0 BFADLP c1[nH+]cn2c1C[N@@H+]([C@@H]1C=CCCCCC1)CC2 ZINC000660582972 411336424 /nfs/dbraw/zinc/33/64/24/411336424.db2.gz CMXNXNKEANHMIV-CYBMUJFWSA-N 2 2 231.343 2.588 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC(C)(C)CC2)c1 ZINC000313264760 411372293 /nfs/dbraw/zinc/37/22/93/411372293.db2.gz OCAOEOLQBHWZKK-ZDUSSCGKSA-N 2 2 249.402 2.911 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000276765872 168102937 /nfs/dbraw/zinc/10/29/37/168102937.db2.gz NOXQKBQXRNGHCM-RRFJBIMHSA-N 2 2 247.386 2.854 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H](C)[NH+](C)C ZINC000336746573 168103017 /nfs/dbraw/zinc/10/30/17/168103017.db2.gz RMJKUDRURPLWMU-MELADBBJSA-N 2 2 224.392 2.519 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)C[NH+](C)C ZINC000309848848 168104854 /nfs/dbraw/zinc/10/48/54/168104854.db2.gz HZMRSMZFQPYOAI-IHRRRGAJSA-N 2 2 224.392 2.519 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]C2CCCCC2)CC1 ZINC000309811929 168111966 /nfs/dbraw/zinc/11/19/66/168111966.db2.gz UKJCTEUFBZZPIV-UHFFFAOYSA-N 2 2 222.376 2.561 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]C2CCCCC2)CC1 ZINC000309811929 168111968 /nfs/dbraw/zinc/11/19/68/168111968.db2.gz UKJCTEUFBZZPIV-UHFFFAOYSA-N 2 2 222.376 2.561 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000356300051 168124677 /nfs/dbraw/zinc/12/46/77/168124677.db2.gz RGZDXUJGTCNNJJ-HIFRSBDPSA-N 2 2 248.414 2.759 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000356300051 168124679 /nfs/dbraw/zinc/12/46/79/168124679.db2.gz RGZDXUJGTCNNJJ-HIFRSBDPSA-N 2 2 248.414 2.759 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291662741 168125604 /nfs/dbraw/zinc/12/56/04/168125604.db2.gz VMRCJMLFUDLQBQ-OCCSQVGLSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000291662741 168125607 /nfs/dbraw/zinc/12/56/07/168125607.db2.gz VMRCJMLFUDLQBQ-OCCSQVGLSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000235283048 168130513 /nfs/dbraw/zinc/13/05/13/168130513.db2.gz LJHPULKHOALZMN-JSGCOSHPSA-N 2 2 238.419 2.909 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000355420330 168150994 /nfs/dbraw/zinc/15/09/94/168150994.db2.gz NXJSMJYJEGPVKX-GQKFXUNGSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000355420330 168150996 /nfs/dbraw/zinc/15/09/96/168150996.db2.gz NXJSMJYJEGPVKX-GQKFXUNGSA-N 2 2 238.419 2.743 20 0 BFADLP CC1CCC([NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC000040771087 168163060 /nfs/dbraw/zinc/16/30/60/168163060.db2.gz QMGPTAURDOQZAI-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000045650308 168163766 /nfs/dbraw/zinc/16/37/66/168163766.db2.gz UIYWDDIKSKLLOD-JXQTWKCFSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[N@H+]1CC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000045650308 168163767 /nfs/dbraw/zinc/16/37/67/168163767.db2.gz UIYWDDIKSKLLOD-JXQTWKCFSA-N 2 2 224.392 2.637 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@@H]2CCC(C)(C)C2)CC1 ZINC000129499116 168180335 /nfs/dbraw/zinc/18/03/35/168180335.db2.gz NVTLYGIUAKADIA-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000040771125 168180985 /nfs/dbraw/zinc/18/09/85/168180985.db2.gz KXJGYSCLLRPZFI-GJZGRUSLSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2CCCn3cc[nH+]c32)c1 ZINC000655739147 411444854 /nfs/dbraw/zinc/44/48/54/411444854.db2.gz XUKDEDNHQAHCCW-LLVKDONJSA-N 2 2 228.299 2.534 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657286412 411445800 /nfs/dbraw/zinc/44/58/00/411445800.db2.gz NFRCQEZHWNPVEG-GFCCVEGCSA-N 2 2 235.375 2.744 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]CCCC1CCCC1)CCC2 ZINC000657297806 411454214 /nfs/dbraw/zinc/45/42/14/411454214.db2.gz FRALJGBTMRXNGT-UHFFFAOYSA-N 2 2 247.386 2.889 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657329094 411467254 /nfs/dbraw/zinc/46/72/54/411467254.db2.gz JXCRXOAUVTUIAS-OLZOCXBDSA-N 2 2 247.386 2.745 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2CCC(C)(C)CC2)n1C ZINC000657374616 411482671 /nfs/dbraw/zinc/48/26/71/411482671.db2.gz OETRTOHQFMODSF-UHFFFAOYSA-N 2 2 235.375 2.787 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C[C@@H](C)C1 ZINC000657370607 411483808 /nfs/dbraw/zinc/48/38/08/411483808.db2.gz CUHGSWTWIOZNKQ-ITGUQSILSA-N 2 2 247.386 2.744 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)n1C ZINC000657379659 411486953 /nfs/dbraw/zinc/48/69/53/411486953.db2.gz CMIQMMKEUUTIMW-LSDHHAIUSA-N 2 2 247.386 2.787 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659881966 411489420 /nfs/dbraw/zinc/48/94/20/411489420.db2.gz CAOMPYAYZUYTAR-CQSZACIVSA-N 2 2 233.359 2.876 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000659881966 411489422 /nfs/dbraw/zinc/48/94/22/411489422.db2.gz CAOMPYAYZUYTAR-CQSZACIVSA-N 2 2 233.359 2.876 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659881965 411489583 /nfs/dbraw/zinc/48/95/83/411489583.db2.gz CAOMPYAYZUYTAR-AWEZNQCLSA-N 2 2 233.359 2.876 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000659881965 411489584 /nfs/dbraw/zinc/48/95/84/411489584.db2.gz CAOMPYAYZUYTAR-AWEZNQCLSA-N 2 2 233.359 2.876 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccsc1 ZINC000657461974 411517660 /nfs/dbraw/zinc/51/76/60/411517660.db2.gz OEVWBGKQSRIJNM-JTQLQIEISA-N 2 2 247.367 2.742 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000657483348 411528608 /nfs/dbraw/zinc/52/86/08/411528608.db2.gz PRHNULXIQWJHPH-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657328183 411466053 /nfs/dbraw/zinc/46/60/53/411466053.db2.gz RQEVFVRSWHUOGR-QWHCGFSZSA-N 2 2 247.386 2.745 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000328252029 170014511 /nfs/dbraw/zinc/01/45/11/170014511.db2.gz KTTDLKOIWSYYCD-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000328252029 170014512 /nfs/dbraw/zinc/01/45/12/170014512.db2.gz KTTDLKOIWSYYCD-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CC[N@H+](CCC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000660109375 411538521 /nfs/dbraw/zinc/53/85/21/411538521.db2.gz CSUKCBBJZDGXOB-ZFWWWQNUSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1CC[N@@H+](CCC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000660109375 411538523 /nfs/dbraw/zinc/53/85/23/411538523.db2.gz CSUKCBBJZDGXOB-ZFWWWQNUSA-N 2 2 247.386 2.956 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000328368753 170022458 /nfs/dbraw/zinc/02/24/58/170022458.db2.gz RRXAFEOMECGBJI-KBPBESRZSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000328368753 170022460 /nfs/dbraw/zinc/02/24/60/170022460.db2.gz RRXAFEOMECGBJI-KBPBESRZSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000328527238 170022863 /nfs/dbraw/zinc/02/28/63/170022863.db2.gz VCDOCBUIBLPUSO-RISCZKNCSA-N 2 2 236.334 2.571 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000328527238 170022865 /nfs/dbraw/zinc/02/28/65/170022865.db2.gz VCDOCBUIBLPUSO-RISCZKNCSA-N 2 2 236.334 2.571 20 0 BFADLP C1=CC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655858381 411539839 /nfs/dbraw/zinc/53/98/39/411539839.db2.gz ZDABXOMNVSWBTQ-ARFHVFGLSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655858381 411539841 /nfs/dbraw/zinc/53/98/41/411539841.db2.gz ZDABXOMNVSWBTQ-ARFHVFGLSA-N 2 2 248.414 2.949 20 0 BFADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657522180 411540846 /nfs/dbraw/zinc/54/08/46/411540846.db2.gz BFJFYMYKKRRWGT-OAHLLOKOSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657522180 411540847 /nfs/dbraw/zinc/54/08/47/411540847.db2.gz BFJFYMYKKRRWGT-OAHLLOKOSA-N 2 2 246.398 2.957 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1cccs1 ZINC000657524503 411541919 /nfs/dbraw/zinc/54/19/19/411541919.db2.gz PYUUDPYSGSIDOY-NSHDSACASA-N 2 2 238.400 2.711 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1cccs1 ZINC000657524503 411541921 /nfs/dbraw/zinc/54/19/21/411541921.db2.gz PYUUDPYSGSIDOY-NSHDSACASA-N 2 2 238.400 2.711 20 0 BFADLP Cc1ccccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657524467 411542327 /nfs/dbraw/zinc/54/23/27/411542327.db2.gz PASLLXCTOKCTCR-OAHLLOKOSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1ccccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657524467 411542329 /nfs/dbraw/zinc/54/23/29/411542329.db2.gz PASLLXCTOKCTCR-OAHLLOKOSA-N 2 2 246.398 2.957 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657525221 411542774 /nfs/dbraw/zinc/54/27/74/411542774.db2.gz POPCSDXVPZJDNX-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657525221 411542776 /nfs/dbraw/zinc/54/27/76/411542776.db2.gz POPCSDXVPZJDNX-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)n1C ZINC000657497284 411536480 /nfs/dbraw/zinc/53/64/80/411536480.db2.gz QYFJTVRIDDSACA-UONOGXRCSA-N 2 2 247.386 2.787 20 0 BFADLP C[C@@H]1CC[N@H+](CCC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000660109373 411538018 /nfs/dbraw/zinc/53/80/18/411538018.db2.gz CSUKCBBJZDGXOB-HIFRSBDPSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CC[N@@H+](CCC2CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000660109373 411538024 /nfs/dbraw/zinc/53/80/24/411538024.db2.gz CSUKCBBJZDGXOB-HIFRSBDPSA-N 2 2 247.386 2.956 20 0 BFADLP CC[NH2+]CC[N@H+](CC)Cc1ccc(C)c(C)c1 ZINC000042367983 170113425 /nfs/dbraw/zinc/11/34/25/170113425.db2.gz DAVMOAGNOAYWIG-UHFFFAOYSA-N 2 2 234.387 2.735 20 0 BFADLP CC[NH2+]CC[N@@H+](CC)Cc1ccc(C)c(C)c1 ZINC000042367983 170113427 /nfs/dbraw/zinc/11/34/27/170113427.db2.gz DAVMOAGNOAYWIG-UHFFFAOYSA-N 2 2 234.387 2.735 20 0 BFADLP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657562706 411552345 /nfs/dbraw/zinc/55/23/45/411552345.db2.gz OCNGSCUCPAXOEN-CHWSQXEVSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657562706 411552346 /nfs/dbraw/zinc/55/23/46/411552346.db2.gz OCNGSCUCPAXOEN-CHWSQXEVSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1CC1(C)C ZINC000657562421 411552734 /nfs/dbraw/zinc/55/27/34/411552734.db2.gz ICZWHLPAAZOJKV-XQQFMLRXSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1CC1(C)C ZINC000657562421 411552735 /nfs/dbraw/zinc/55/27/35/411552735.db2.gz ICZWHLPAAZOJKV-XQQFMLRXSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000657562357 411552762 /nfs/dbraw/zinc/55/27/62/411552762.db2.gz GGAGYFPIKYSELW-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]CC2(C)CCC2)C1 ZINC000657562357 411552763 /nfs/dbraw/zinc/55/27/63/411552763.db2.gz GGAGYFPIKYSELW-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)[C@@H]1C[NH3+] ZINC000216598022 411546658 /nfs/dbraw/zinc/54/66/58/411546658.db2.gz TYONOIQAFLMFIA-WNTKCETOSA-N 2 2 244.382 2.759 20 0 BFADLP C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)[C@@H]1C[NH3+] ZINC000216598022 411546659 /nfs/dbraw/zinc/54/66/59/411546659.db2.gz TYONOIQAFLMFIA-WNTKCETOSA-N 2 2 244.382 2.759 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)C[N@@H+]1C1CC1 ZINC000657656808 411571571 /nfs/dbraw/zinc/57/15/71/411571571.db2.gz LAVXECPHYIXQTN-NJURLYQPSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)C[N@H+]1C1CC1 ZINC000657656808 411571572 /nfs/dbraw/zinc/57/15/72/411571572.db2.gz LAVXECPHYIXQTN-NJURLYQPSA-N 2 2 248.414 2.637 20 0 BFADLP Cc1cc[nH+]c(NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000663378852 411642751 /nfs/dbraw/zinc/64/27/51/411642751.db2.gz IYMZKBURZJMJDQ-CQSZACIVSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cccn2c(C[NH2+][C@]3(C)CC3(C)C)c[nH+]c12 ZINC000657761513 411591588 /nfs/dbraw/zinc/59/15/88/411591588.db2.gz MMEITCMSEVRTOA-OAHLLOKOSA-N 2 2 243.354 2.921 20 0 BFADLP CCC(C)(C)CC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660579518 411602611 /nfs/dbraw/zinc/60/26/11/411602611.db2.gz XOIUKXVMTDHKOZ-UHFFFAOYSA-N 2 2 221.348 2.525 20 0 BFADLP CCC(C)(C)CC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660579518 411602613 /nfs/dbraw/zinc/60/26/13/411602613.db2.gz XOIUKXVMTDHKOZ-UHFFFAOYSA-N 2 2 221.348 2.525 20 0 BFADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660577648 411602759 /nfs/dbraw/zinc/60/27/59/411602759.db2.gz IPMLTYHDJCDOOX-ZIAGYGMSSA-N 2 2 247.386 2.915 20 0 BFADLP C[C@@H]1CCC[C@H](CC[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660577648 411602761 /nfs/dbraw/zinc/60/27/61/411602761.db2.gz IPMLTYHDJCDOOX-ZIAGYGMSSA-N 2 2 247.386 2.915 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657815990 411604780 /nfs/dbraw/zinc/60/47/80/411604780.db2.gz GWQMRXQQJHEATD-FRRDWIJNSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H](C)C(C)(C)C(F)F)C1CC1 ZINC000657865842 411613056 /nfs/dbraw/zinc/61/30/56/411613056.db2.gz UCKWVQJHRIEMDA-JTQLQIEISA-N 2 2 248.361 2.740 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H](C)C(C)(C)C(F)F)C1CC1 ZINC000657865842 411613058 /nfs/dbraw/zinc/61/30/58/411613058.db2.gz UCKWVQJHRIEMDA-JTQLQIEISA-N 2 2 248.361 2.740 20 0 BFADLP CC[NH+]1CCC(Cc2[nH]c3ccccc3[nH+]2)CC1 ZINC000660853843 411659368 /nfs/dbraw/zinc/65/93/68/411659368.db2.gz IXYNNPLQIGAYFU-UHFFFAOYSA-N 2 2 243.354 2.837 20 0 BFADLP c1cn(CCC[NH+]2CCC(C3CCC3)CC2)c[nH+]1 ZINC000661374178 411758292 /nfs/dbraw/zinc/75/82/92/411758292.db2.gz LJHKHHWBVPUMHM-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP CC1(C)CCCC[C@@H]1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000662234157 412033103 /nfs/dbraw/zinc/03/31/03/412033103.db2.gz JDDZZRZJOLMAKE-CHWSQXEVSA-N 2 2 224.392 2.626 20 0 BFADLP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000662234157 412033105 /nfs/dbraw/zinc/03/31/05/412033105.db2.gz JDDZZRZJOLMAKE-CHWSQXEVSA-N 2 2 224.392 2.626 20 0 BFADLP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1ccsc1Cl ZINC000662248799 412047364 /nfs/dbraw/zinc/04/73/64/412047364.db2.gz DFJKBZBSJZBVFB-NSHDSACASA-N 2 2 246.807 2.865 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000309453787 171058814 /nfs/dbraw/zinc/05/88/14/171058814.db2.gz LVKUUFCWUAPVPX-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000662277842 412069764 /nfs/dbraw/zinc/06/97/64/412069764.db2.gz SFWNDDSLURMVIS-DOMZBBRYSA-N 2 2 232.371 2.589 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000662277842 412069767 /nfs/dbraw/zinc/06/97/67/412069767.db2.gz SFWNDDSLURMVIS-DOMZBBRYSA-N 2 2 232.371 2.589 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088424 171298809 /nfs/dbraw/zinc/29/88/09/171298809.db2.gz YOJXBLQDCVFGOI-XQQFMLRXSA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000037479888 171340075 /nfs/dbraw/zinc/34/00/75/171340075.db2.gz GZFNDKHWMDJLKJ-ZDUSSCGKSA-N 2 2 220.360 2.507 20 0 BFADLP CC[C@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000037479888 171340077 /nfs/dbraw/zinc/34/00/77/171340077.db2.gz GZFNDKHWMDJLKJ-ZDUSSCGKSA-N 2 2 220.360 2.507 20 0 BFADLP CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000128896010 171346554 /nfs/dbraw/zinc/34/65/54/171346554.db2.gz DISIFZRBABJSLZ-ZFWWWQNUSA-N 2 2 234.387 2.547 20 0 BFADLP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000181781632 171346897 /nfs/dbraw/zinc/34/68/97/171346897.db2.gz MKTRXCQMWBAZLX-NWANDNLSSA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000181781632 171346900 /nfs/dbraw/zinc/34/69/00/171346900.db2.gz MKTRXCQMWBAZLX-NWANDNLSSA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@H](C)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000128896433 171348676 /nfs/dbraw/zinc/34/86/76/171348676.db2.gz DISIFZRBABJSLZ-DZGCQCFKSA-N 2 2 234.387 2.547 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163789569 171364434 /nfs/dbraw/zinc/36/44/34/171364434.db2.gz FDBPHCUWVISRGR-QWHCGFSZSA-N 2 2 235.375 2.908 20 0 BFADLP CCc1cccnc1[C@@H](C)[NH2+]CC1([NH3+])CCCC1 ZINC000665247498 412193118 /nfs/dbraw/zinc/19/31/18/412193118.db2.gz DCKZOFIFCXMLLV-GFCCVEGCSA-N 2 2 247.386 2.566 20 0 BFADLP CC1CC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000665252499 412198172 /nfs/dbraw/zinc/19/81/72/412198172.db2.gz RDODZVZDTKSZQJ-AHNOJICISA-N 2 2 244.382 2.520 20 0 BFADLP CCCc1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665294303 412239480 /nfs/dbraw/zinc/23/94/80/412239480.db2.gz MCWKMVNDYNTQNB-STQMWFEESA-N 2 2 234.387 2.898 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)s1 ZINC000665293662 412239572 /nfs/dbraw/zinc/23/95/72/412239572.db2.gz AHCCVRMKVFJTNY-ZJUUUORDSA-N 2 2 226.389 2.569 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000665294747 412240431 /nfs/dbraw/zinc/24/04/31/412240431.db2.gz VNYKHDXFGTZPNX-STQMWFEESA-N 2 2 246.398 2.824 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000665294922 412241456 /nfs/dbraw/zinc/24/14/56/412241456.db2.gz YRXXLZMWYSYUEW-UWVGGRQHSA-N 2 2 226.751 2.599 20 0 BFADLP CCc1ccc([C@H](CC)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665296569 412242195 /nfs/dbraw/zinc/24/21/95/412242195.db2.gz UUQXRFCNIUZZHO-DOMZBBRYSA-N 2 2 234.387 2.898 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000665296088 412243374 /nfs/dbraw/zinc/24/33/74/412243374.db2.gz MRZPCXXQQAIRIM-DYEKYZERSA-N 2 2 232.371 2.741 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000665296744 412243894 /nfs/dbraw/zinc/24/38/94/412243894.db2.gz XIQOWDJVZLJZPM-VHSXEESVSA-N 2 2 249.383 2.555 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000665297859 412244386 /nfs/dbraw/zinc/24/43/86/412244386.db2.gz NCAHDCRIJOQXCO-RYUDHWBXSA-N 2 2 232.371 2.823 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000336782265 172398008 /nfs/dbraw/zinc/39/80/08/172398008.db2.gz XCRTULFRHNRFAE-NEPJUHHUSA-N 2 2 226.408 2.741 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000040671661 173020212 /nfs/dbraw/zinc/02/02/12/173020212.db2.gz HXRUHCDVROVZBL-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000040671661 173020214 /nfs/dbraw/zinc/02/02/14/173020214.db2.gz HXRUHCDVROVZBL-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1coc2ccccc12 ZINC000121125800 173033288 /nfs/dbraw/zinc/03/32/88/173033288.db2.gz CZPXKPACNKZOHG-CYBMUJFWSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1coc2ccccc12 ZINC000121125800 173033290 /nfs/dbraw/zinc/03/32/90/173033290.db2.gz CZPXKPACNKZOHG-CYBMUJFWSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000328097384 173033838 /nfs/dbraw/zinc/03/38/38/173033838.db2.gz KCCQUZCAHOILKF-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000328097384 173033839 /nfs/dbraw/zinc/03/38/39/173033839.db2.gz KCCQUZCAHOILKF-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000338003701 173034955 /nfs/dbraw/zinc/03/49/55/173034955.db2.gz TUGQYBDJESRPFA-MJBXVCDLSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000338003701 173034956 /nfs/dbraw/zinc/03/49/56/173034956.db2.gz TUGQYBDJESRPFA-MJBXVCDLSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091308018 173057125 /nfs/dbraw/zinc/05/71/25/173057125.db2.gz HAIUJEVZCBXZJI-HOTGVXAUSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091308018 173057129 /nfs/dbraw/zinc/05/71/29/173057129.db2.gz HAIUJEVZCBXZJI-HOTGVXAUSA-N 2 2 244.382 2.822 20 0 BFADLP C[NH2+]C1CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000049508872 173323581 /nfs/dbraw/zinc/32/35/81/173323581.db2.gz YZADNSRMGXLJCV-NSHDSACASA-N 2 2 236.334 2.571 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)C)cc1 ZINC000042390441 173368809 /nfs/dbraw/zinc/36/88/09/173368809.db2.gz WJNTVPOURDJPFP-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccc(C(C)C)cc1 ZINC000042390441 173368810 /nfs/dbraw/zinc/36/88/10/173368810.db2.gz WJNTVPOURDJPFP-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP CCC([NH3+])(CC)C[NH2+]Cc1ccc(F)cc1F ZINC000556934997 322931570 /nfs/dbraw/zinc/93/15/70/322931570.db2.gz HZKQGBQQMOFGFW-UHFFFAOYSA-N 2 2 242.313 2.572 20 0 BFADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccccc1Cl ZINC000019958419 175875544 /nfs/dbraw/zinc/87/55/44/175875544.db2.gz VDLHFGNMTXZCNR-LLVKDONJSA-N 2 2 240.778 2.942 20 0 BFADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000050227666 176017400 /nfs/dbraw/zinc/01/74/00/176017400.db2.gz IBVMLHLPBBAQLT-LRDDRELGSA-N 2 2 240.350 2.934 20 0 BFADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000050227666 176017401 /nfs/dbraw/zinc/01/74/01/176017401.db2.gz IBVMLHLPBBAQLT-LRDDRELGSA-N 2 2 240.350 2.934 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000183121400 176021059 /nfs/dbraw/zinc/02/10/59/176021059.db2.gz GUFAQYROXNAASS-ZDUSSCGKSA-N 2 2 229.327 2.576 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000183121400 176021061 /nfs/dbraw/zinc/02/10/61/176021061.db2.gz GUFAQYROXNAASS-ZDUSSCGKSA-N 2 2 229.327 2.576 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000119056000 176098440 /nfs/dbraw/zinc/09/84/40/176098440.db2.gz YWOILYAFTROBOP-CABCVRRESA-N 2 2 236.403 2.664 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000119056000 176098441 /nfs/dbraw/zinc/09/84/41/176098441.db2.gz YWOILYAFTROBOP-CABCVRRESA-N 2 2 236.403 2.664 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC(C)(C)[NH+](C)C ZINC000020125705 176113819 /nfs/dbraw/zinc/11/38/19/176113819.db2.gz SIILGQGCEYLFNR-VXGBXAGGSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353627507 176114237 /nfs/dbraw/zinc/11/42/37/176114237.db2.gz WJTKVGSDSMWREU-UTUOFQBUSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353627507 176114238 /nfs/dbraw/zinc/11/42/38/176114238.db2.gz WJTKVGSDSMWREU-UTUOFQBUSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353627505 176114517 /nfs/dbraw/zinc/11/45/17/176114517.db2.gz WJTKVGSDSMWREU-IJLUTSLNSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353627505 176114519 /nfs/dbraw/zinc/11/45/19/176114519.db2.gz WJTKVGSDSMWREU-IJLUTSLNSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[N@H+](CCC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000336707569 176169085 /nfs/dbraw/zinc/16/90/85/176169085.db2.gz NOGQEGKMFGZJDS-OCCSQVGLSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CC[N@@H+](CCC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000336707569 176169086 /nfs/dbraw/zinc/16/90/86/176169086.db2.gz NOGQEGKMFGZJDS-OCCSQVGLSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000179475258 176180004 /nfs/dbraw/zinc/18/00/04/176180004.db2.gz GWIABKNBDOWRDK-ILXRZTDVSA-N 2 2 245.370 2.875 20 0 BFADLP C[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000179475258 176180005 /nfs/dbraw/zinc/18/00/05/176180005.db2.gz GWIABKNBDOWRDK-ILXRZTDVSA-N 2 2 245.370 2.875 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000358064167 176279308 /nfs/dbraw/zinc/27/93/08/176279308.db2.gz PIRHROFFUIKYQR-DAXOMENPSA-N 2 2 244.382 2.677 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000358064167 176279309 /nfs/dbraw/zinc/27/93/09/176279309.db2.gz PIRHROFFUIKYQR-DAXOMENPSA-N 2 2 244.382 2.677 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000358361217 176281073 /nfs/dbraw/zinc/28/10/73/176281073.db2.gz AVIFFHKZDSRCHM-KNLHSXBVSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC12CCC(CC1)C2 ZINC000358361217 176281075 /nfs/dbraw/zinc/28/10/75/176281075.db2.gz AVIFFHKZDSRCHM-KNLHSXBVSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000352721449 176281676 /nfs/dbraw/zinc/28/16/76/176281676.db2.gz MHKZWQAYHVLHFS-CJNGLKHVSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000352721449 176281678 /nfs/dbraw/zinc/28/16/78/176281678.db2.gz MHKZWQAYHVLHFS-CJNGLKHVSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000352721450 176281711 /nfs/dbraw/zinc/28/17/11/176281711.db2.gz MHKZWQAYHVLHFS-CZUORRHYSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000352721450 176281713 /nfs/dbraw/zinc/28/17/13/176281713.db2.gz MHKZWQAYHVLHFS-CZUORRHYSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000245591316 176296726 /nfs/dbraw/zinc/29/67/26/176296726.db2.gz GJQDNNQULIONEE-UKRRQHHQSA-N 2 2 241.338 2.576 20 0 BFADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000245591316 176296727 /nfs/dbraw/zinc/29/67/27/176296727.db2.gz GJQDNNQULIONEE-UKRRQHHQSA-N 2 2 241.338 2.576 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)CC[C@H]1[NH3+] ZINC000251577706 176301617 /nfs/dbraw/zinc/30/16/17/176301617.db2.gz CGSQINOQWLWGRB-LDYMZIIASA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)CC[C@H]1[NH3+] ZINC000251577706 176301619 /nfs/dbraw/zinc/30/16/19/176301619.db2.gz CGSQINOQWLWGRB-LDYMZIIASA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC000375781999 176371826 /nfs/dbraw/zinc/37/18/26/176371826.db2.gz DDSNKPGNFIERRA-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]1C[C@@H]([NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC000375781999 176371827 /nfs/dbraw/zinc/37/18/27/176371827.db2.gz DDSNKPGNFIERRA-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022046283 177032674 /nfs/dbraw/zinc/03/26/74/177032674.db2.gz QSJAEFFWYFBNSN-LLVKDONJSA-N 2 2 238.762 2.696 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000022046283 177032675 /nfs/dbraw/zinc/03/26/75/177032675.db2.gz QSJAEFFWYFBNSN-LLVKDONJSA-N 2 2 238.762 2.696 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCC2)C1 ZINC000341421579 177040331 /nfs/dbraw/zinc/04/03/31/177040331.db2.gz IMOWQTSOZWVRCV-CZUORRHYSA-N 2 2 244.382 2.964 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCC2)C1 ZINC000341421579 177040333 /nfs/dbraw/zinc/04/03/33/177040333.db2.gz IMOWQTSOZWVRCV-CZUORRHYSA-N 2 2 244.382 2.964 20 0 BFADLP C[C@H](c1cccnc1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162456125 177045287 /nfs/dbraw/zinc/04/52/87/177045287.db2.gz FPKPZKANMQRHPE-HIFRSBDPSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1cccnc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162456125 177045288 /nfs/dbraw/zinc/04/52/88/177045288.db2.gz FPKPZKANMQRHPE-HIFRSBDPSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1cccnc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000162456125 177045289 /nfs/dbraw/zinc/04/52/89/177045289.db2.gz FPKPZKANMQRHPE-HIFRSBDPSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1cccnc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000162456125 177045290 /nfs/dbraw/zinc/04/52/90/177045290.db2.gz FPKPZKANMQRHPE-HIFRSBDPSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1cccnc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000162465564 177045543 /nfs/dbraw/zinc/04/55/43/177045543.db2.gz PEMGDXHJRSYXBY-CQSZACIVSA-N 2 2 247.386 2.560 20 0 BFADLP C[C@H](c1cccnc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000162465564 177045546 /nfs/dbraw/zinc/04/55/46/177045546.db2.gz PEMGDXHJRSYXBY-CQSZACIVSA-N 2 2 247.386 2.560 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC1(C)C ZINC000336778741 177075332 /nfs/dbraw/zinc/07/53/32/177075332.db2.gz MEZPDXDPLZHETM-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC1(C)C ZINC000336778741 177075333 /nfs/dbraw/zinc/07/53/33/177075333.db2.gz MEZPDXDPLZHETM-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337411644 177075450 /nfs/dbraw/zinc/07/54/50/177075450.db2.gz WMJOPMOSZSBINR-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337411644 177075451 /nfs/dbraw/zinc/07/54/51/177075451.db2.gz WMJOPMOSZSBINR-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000179942035 177101721 /nfs/dbraw/zinc/10/17/21/177101721.db2.gz YROSABSKFRUNPC-QWHCGFSZSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1[C@@H](C)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000179942035 177101724 /nfs/dbraw/zinc/10/17/24/177101724.db2.gz YROSABSKFRUNPC-QWHCGFSZSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674863870 487637133 /nfs/dbraw/zinc/63/71/33/487637133.db2.gz RMKHBRFIPGMWCP-CHWSQXEVSA-N 2 2 221.348 2.566 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000674863870 487637137 /nfs/dbraw/zinc/63/71/37/487637137.db2.gz RMKHBRFIPGMWCP-CHWSQXEVSA-N 2 2 221.348 2.566 20 0 BFADLP C[C@H]1CC[N@H+](CC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000120205108 177159509 /nfs/dbraw/zinc/15/95/09/177159509.db2.gz IVLCTLWECZCFSO-ZFWWWQNUSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000120205108 177159512 /nfs/dbraw/zinc/15/95/12/177159512.db2.gz IVLCTLWECZCFSO-ZFWWWQNUSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)CC12CCC2 ZINC000375005396 177161161 /nfs/dbraw/zinc/16/11/61/177161161.db2.gz NYQGGUWXJUUKQA-AWEZNQCLSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)CC12CCC2 ZINC000375005396 177161162 /nfs/dbraw/zinc/16/11/62/177161162.db2.gz NYQGGUWXJUUKQA-AWEZNQCLSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)[N@H+](C)C1CC1 ZINC000300669508 177183882 /nfs/dbraw/zinc/18/38/82/177183882.db2.gz PNIPZFMNIBYSCE-UKTARXLSSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000300669508 177183884 /nfs/dbraw/zinc/18/38/84/177183884.db2.gz PNIPZFMNIBYSCE-UKTARXLSSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1C[N@H+](Cc2cc(Cl)cs2)CC[C@@H]1[NH3+] ZINC000086884284 177260965 /nfs/dbraw/zinc/26/09/65/177260965.db2.gz CGSQINOQWLWGRB-KWQFWETISA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)CC[C@@H]1[NH3+] ZINC000086884284 177260966 /nfs/dbraw/zinc/26/09/66/177260966.db2.gz CGSQINOQWLWGRB-KWQFWETISA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000292880200 177262025 /nfs/dbraw/zinc/26/20/25/177262025.db2.gz CAZXDQRICYPTFZ-QWHCGFSZSA-N 2 2 241.338 2.713 20 0 BFADLP C[C@@H]1[C@@H](C)C[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000292880200 177262027 /nfs/dbraw/zinc/26/20/27/177262027.db2.gz CAZXDQRICYPTFZ-QWHCGFSZSA-N 2 2 241.338 2.713 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1[NH3+] ZINC000235644802 177262647 /nfs/dbraw/zinc/26/26/47/177262647.db2.gz BJDMTFGHSYNXGS-WFASDCNBSA-N 2 2 246.398 2.763 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1[NH3+] ZINC000235644802 177262649 /nfs/dbraw/zinc/26/26/49/177262649.db2.gz BJDMTFGHSYNXGS-WFASDCNBSA-N 2 2 246.398 2.763 20 0 BFADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000355779098 177313564 /nfs/dbraw/zinc/31/35/64/177313564.db2.gz GDQSBWFRBGOQEX-HZSPNIEDSA-N 2 2 235.375 2.640 20 0 BFADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000355779098 177313566 /nfs/dbraw/zinc/31/35/66/177313566.db2.gz GDQSBWFRBGOQEX-HZSPNIEDSA-N 2 2 235.375 2.640 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000183462183 177315013 /nfs/dbraw/zinc/31/50/13/177315013.db2.gz AJBJBYOIRKDUDL-BETUJISGSA-N 2 2 243.354 2.812 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000183462183 177315015 /nfs/dbraw/zinc/31/50/15/177315015.db2.gz AJBJBYOIRKDUDL-BETUJISGSA-N 2 2 243.354 2.812 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3occc32)CC[N@@H+]1C ZINC000130035084 177333222 /nfs/dbraw/zinc/33/32/22/177333222.db2.gz VJLRLFRVVOTZHI-SGMGOOAPSA-N 2 2 248.370 2.729 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3occc32)CC[N@H+]1C ZINC000130035084 177333225 /nfs/dbraw/zinc/33/32/25/177333225.db2.gz VJLRLFRVVOTZHI-SGMGOOAPSA-N 2 2 248.370 2.729 20 0 BFADLP C[C@H]1C[C@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000336594816 177359690 /nfs/dbraw/zinc/35/96/90/177359690.db2.gz MWWRXEYWRPCKNW-RYUDHWBXSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@H]1C[C@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000336594816 177359691 /nfs/dbraw/zinc/35/96/91/177359691.db2.gz MWWRXEYWRPCKNW-RYUDHWBXSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@H]1C[C@H]([NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC000375781996 177365941 /nfs/dbraw/zinc/36/59/41/177365941.db2.gz DDSNKPGNFIERRA-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H]1C[C@H]([NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC000375781996 177365942 /nfs/dbraw/zinc/36/59/42/177365942.db2.gz DDSNKPGNFIERRA-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000289289966 177370166 /nfs/dbraw/zinc/37/01/66/177370166.db2.gz QYLJWRYLDDHLHK-WFASDCNBSA-N 2 2 241.338 2.721 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C[N@@H+]1C1CC1 ZINC000122316725 177371073 /nfs/dbraw/zinc/37/10/73/177371073.db2.gz QHMSEPSBERRLDB-FZMZJTMJSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)C[N@H+]1C1CC1 ZINC000122316725 177371075 /nfs/dbraw/zinc/37/10/75/177371075.db2.gz QHMSEPSBERRLDB-FZMZJTMJSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)CC[N@@H+]1C ZINC000130034668 177372138 /nfs/dbraw/zinc/37/21/38/177372138.db2.gz VJLRLFRVVOTZHI-OUCADQQQSA-N 2 2 248.370 2.729 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCc3occc32)CC[N@H+]1C ZINC000130034668 177372139 /nfs/dbraw/zinc/37/21/39/177372139.db2.gz VJLRLFRVVOTZHI-OUCADQQQSA-N 2 2 248.370 2.729 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000328281855 487642008 /nfs/dbraw/zinc/64/20/08/487642008.db2.gz SAOVXTUNMBBTNL-OAHLLOKOSA-N 2 2 246.398 2.648 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000328281855 487642012 /nfs/dbraw/zinc/64/20/12/487642012.db2.gz SAOVXTUNMBBTNL-OAHLLOKOSA-N 2 2 246.398 2.648 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324911981 487642612 /nfs/dbraw/zinc/64/26/12/487642612.db2.gz JTYHYVWEUHOYKC-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324911981 487642615 /nfs/dbraw/zinc/64/26/15/487642615.db2.gz JTYHYVWEUHOYKC-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)[C@@H]1CC1(C)C ZINC000486967598 225276096 /nfs/dbraw/zinc/27/60/96/225276096.db2.gz IBDPUHJGEKNIOO-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)[C@@H]1CC1(C)C ZINC000486967598 225276097 /nfs/dbraw/zinc/27/60/97/225276097.db2.gz IBDPUHJGEKNIOO-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CC([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@H](C)C1 ZINC000494409785 226264805 /nfs/dbraw/zinc/26/48/05/226264805.db2.gz CKMUBBDFNDARPS-UPJWGTAASA-N 2 2 247.386 2.612 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)[C@H]1C ZINC000494926489 226271338 /nfs/dbraw/zinc/27/13/38/226271338.db2.gz XYWSWOPRCFSBDM-MBNYWOFBSA-N 2 2 243.354 2.511 20 0 BFADLP c1cn(CC[NH2+][C@H]2CCCC23CCCCC3)c[nH+]1 ZINC000312987145 262723647 /nfs/dbraw/zinc/72/36/47/262723647.db2.gz IWYNIHYVWDPJPM-AWEZNQCLSA-N 2 2 247.386 2.976 20 0 BFADLP C[C@H]1CCC[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)C1 ZINC000308607128 229236588 /nfs/dbraw/zinc/23/65/88/229236588.db2.gz HVPLKELGFPAFLH-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC/C=C/CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681020609 487697544 /nfs/dbraw/zinc/69/75/44/487697544.db2.gz BPNQWKXINJZYCN-XGACYXMMSA-N 2 2 233.359 2.876 20 0 BFADLP CC/C=C/CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681020609 487697548 /nfs/dbraw/zinc/69/75/48/487697548.db2.gz BPNQWKXINJZYCN-XGACYXMMSA-N 2 2 233.359 2.876 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)CCC[C@H]2C)n1C ZINC000667651751 487698732 /nfs/dbraw/zinc/69/87/32/487698732.db2.gz HEJTYTQVWUSIML-NWDGAFQWSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)CCC[C@H]2C)n1C ZINC000667651751 487698736 /nfs/dbraw/zinc/69/87/36/487698736.db2.gz HEJTYTQVWUSIML-NWDGAFQWSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)CCC[C@H]2C)n1C ZINC000667651753 487698624 /nfs/dbraw/zinc/69/86/24/487698624.db2.gz HEJTYTQVWUSIML-VXGBXAGGSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)CCC[C@H]2C)n1C ZINC000667651753 487698631 /nfs/dbraw/zinc/69/86/31/487698631.db2.gz HEJTYTQVWUSIML-VXGBXAGGSA-N 2 2 235.375 2.739 20 0 BFADLP CC1=CC[C@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668431873 487745138 /nfs/dbraw/zinc/74/51/38/487745138.db2.gz GJBHOBYHRDDUIS-UONOGXRCSA-N 2 2 236.403 2.948 20 0 BFADLP CC1=CC[C@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668431873 487745142 /nfs/dbraw/zinc/74/51/42/487745142.db2.gz GJBHOBYHRDDUIS-UONOGXRCSA-N 2 2 236.403 2.948 20 0 BFADLP CC1=CC[C@@H]([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668431874 487745207 /nfs/dbraw/zinc/74/52/07/487745207.db2.gz GJBHOBYHRDDUIS-ZIAGYGMSSA-N 2 2 236.403 2.948 20 0 BFADLP CC1=CC[C@@H]([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668431874 487745210 /nfs/dbraw/zinc/74/52/10/487745210.db2.gz GJBHOBYHRDDUIS-ZIAGYGMSSA-N 2 2 236.403 2.948 20 0 BFADLP CC(C)(C)CC[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000668432848 487746465 /nfs/dbraw/zinc/74/64/65/487746465.db2.gz ZHRUMUFZSLYBFE-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)(C)CC[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000668432848 487746469 /nfs/dbraw/zinc/74/64/69/487746469.db2.gz ZHRUMUFZSLYBFE-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667864540 487749900 /nfs/dbraw/zinc/74/99/00/487749900.db2.gz BTNZGZQVVZPQKX-APIJFGDWSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667864540 487749903 /nfs/dbraw/zinc/74/99/03/487749903.db2.gz BTNZGZQVVZPQKX-APIJFGDWSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1ccc(C[N@@H+](C)C2CC([NH3+])C2)c(Cl)c1 ZINC000385090989 487764930 /nfs/dbraw/zinc/76/49/30/487764930.db2.gz YBJSOLFPVALWMT-UHFFFAOYSA-N 2 2 238.762 2.570 20 0 BFADLP Cc1ccc(C[N@H+](C)C2CC([NH3+])C2)c(Cl)c1 ZINC000385090989 487764932 /nfs/dbraw/zinc/76/49/32/487764932.db2.gz YBJSOLFPVALWMT-UHFFFAOYSA-N 2 2 238.762 2.570 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)c[nH+]1 ZINC000678235695 487765174 /nfs/dbraw/zinc/76/51/74/487765174.db2.gz YCKXVMRFPHLLGL-LSDHHAIUSA-N 2 2 245.370 2.876 20 0 BFADLP c1cn([C@@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)c[nH+]1 ZINC000678235695 487765176 /nfs/dbraw/zinc/76/51/76/487765176.db2.gz YCKXVMRFPHLLGL-LSDHHAIUSA-N 2 2 245.370 2.876 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@]23C[C@@H]2CCC3)c[nH+]1 ZINC000668447083 487769066 /nfs/dbraw/zinc/76/90/66/487769066.db2.gz LRUFORVVCLFBOJ-GJZGRUSLSA-N 2 2 230.355 2.855 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675767912 487775475 /nfs/dbraw/zinc/77/54/75/487775475.db2.gz UXOUCHPTPPPPHE-OFQRWUPVSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675767912 487775478 /nfs/dbraw/zinc/77/54/78/487775478.db2.gz UXOUCHPTPPPPHE-OFQRWUPVSA-N 2 2 246.398 2.862 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000681366407 487785444 /nfs/dbraw/zinc/78/54/44/487785444.db2.gz UWOVAOGQWRBJNW-SOUVJXGZSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000681366407 487785450 /nfs/dbraw/zinc/78/54/50/487785450.db2.gz UWOVAOGQWRBJNW-SOUVJXGZSA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000514091146 487786757 /nfs/dbraw/zinc/78/67/57/487786757.db2.gz XTQRDTIHZZSLCL-GJZGRUSLSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000651666789 487813663 /nfs/dbraw/zinc/81/36/63/487813663.db2.gz OGPWEGAKYDEAQB-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651676319 487815308 /nfs/dbraw/zinc/81/53/08/487815308.db2.gz WIPHGLJGSIGNLZ-MGPQQGTHSA-N 2 2 235.375 2.830 20 0 BFADLP C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)[C@H]1C[NH3+] ZINC000252463982 487825333 /nfs/dbraw/zinc/82/53/33/487825333.db2.gz TYONOIQAFLMFIA-MWGCNAMGSA-N 2 2 244.382 2.759 20 0 BFADLP C[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2)[C@H]1C[NH3+] ZINC000252463982 487825339 /nfs/dbraw/zinc/82/53/39/487825339.db2.gz TYONOIQAFLMFIA-MWGCNAMGSA-N 2 2 244.382 2.759 20 0 BFADLP CC[N@H+](CC[NH3+])[C@H](C)c1ccc(Cl)cc1 ZINC000213921650 487841371 /nfs/dbraw/zinc/84/13/71/487841371.db2.gz NCFAYOIHDMZHPU-SNVBAGLBSA-N 2 2 226.751 2.682 20 0 BFADLP CC[N@@H+](CC[NH3+])[C@H](C)c1ccc(Cl)cc1 ZINC000213921650 487841376 /nfs/dbraw/zinc/84/13/76/487841376.db2.gz NCFAYOIHDMZHPU-SNVBAGLBSA-N 2 2 226.751 2.682 20 0 BFADLP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000666769322 487853875 /nfs/dbraw/zinc/85/38/75/487853875.db2.gz YQRWHMOSDIGPJO-JZIMQPMSSA-N 2 2 248.345 2.571 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC3(CCC3)[C@@H]2C(C)C)n1C ZINC000668184291 487867208 /nfs/dbraw/zinc/86/72/08/487867208.db2.gz ACTKEKZAVAZPGB-AWEZNQCLSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC3(CCC3)[C@@H]2C(C)C)n1C ZINC000668184291 487867213 /nfs/dbraw/zinc/86/72/13/487867213.db2.gz ACTKEKZAVAZPGB-AWEZNQCLSA-N 2 2 247.386 2.739 20 0 BFADLP c1ccc(C2CC2)c(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666768201 487875816 /nfs/dbraw/zinc/87/58/16/487875816.db2.gz BLIIYBJTJXUOSG-OAHLLOKOSA-N 2 2 244.382 2.796 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(C)s1 ZINC000666885695 487898271 /nfs/dbraw/zinc/89/82/71/487898271.db2.gz VUFZKQNXDOTIHO-ZWNOBZJWSA-N 2 2 238.400 2.595 20 0 BFADLP CCCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947638 487911207 /nfs/dbraw/zinc/91/12/07/487911207.db2.gz DUWZPNDFPZHCNY-XUXIUFHCSA-N 2 2 242.382 2.635 20 0 BFADLP Cc1ccc(C[NH2+]Cc2c[nH+]cn2C(C)C)o1 ZINC000090209070 487924498 /nfs/dbraw/zinc/92/44/98/487924498.db2.gz ZUTVLGVDPSPCCY-UHFFFAOYSA-N 2 2 233.315 2.655 20 0 BFADLP CC(C)C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000561289383 322998901 /nfs/dbraw/zinc/99/89/01/322998901.db2.gz YMPNJHBMEYSFTD-LBPRGKRZSA-N 2 2 235.375 2.744 20 0 BFADLP C[C@@H](Nc1cc2c(c[nH+]1)CCCC2)c1[nH]cc[nH+]1 ZINC000561416038 323001332 /nfs/dbraw/zinc/00/13/32/323001332.db2.gz MFZNIDDRWLODSM-SNVBAGLBSA-N 2 2 242.326 2.857 20 0 BFADLP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000562603328 323025458 /nfs/dbraw/zinc/02/54/58/323025458.db2.gz FWECALZZUXZQQR-HNNXBMFYSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+]C(C1CC1)C1CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000562603328 323025459 /nfs/dbraw/zinc/02/54/59/323025459.db2.gz FWECALZZUXZQQR-HNNXBMFYSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1CC[N@H+](CC2(C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000562626667 323025910 /nfs/dbraw/zinc/02/59/10/323025910.db2.gz VERNFVQYGUXBID-CHWSQXEVSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2(C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000562626667 323025911 /nfs/dbraw/zinc/02/59/11/323025911.db2.gz VERNFVQYGUXBID-CHWSQXEVSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)[C@@H]1C[C@H]1C ZINC000565242394 323037455 /nfs/dbraw/zinc/03/74/55/323037455.db2.gz FDCACXXCLXYHBY-LXTVHRRPSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]1C[N@H+](CCCc2c[nH+]cn2C)CC(C)(C)C1 ZINC000569984789 323046844 /nfs/dbraw/zinc/04/68/44/323046844.db2.gz CDHUGIJSVNOWKH-CYBMUJFWSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC(C)(C)C1 ZINC000569984789 323046845 /nfs/dbraw/zinc/04/68/45/323046845.db2.gz CDHUGIJSVNOWKH-CYBMUJFWSA-N 2 2 249.402 2.721 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2ccc(Cl)s2)C1 ZINC000570105945 323050079 /nfs/dbraw/zinc/05/00/79/323050079.db2.gz FUDCQTBVFHMHTN-UHFFFAOYSA-N 2 2 244.791 2.584 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c(C)c1 ZINC000516651880 323081248 /nfs/dbraw/zinc/08/12/48/323081248.db2.gz UJQLUJOVPGKFKC-JGGQBBKZSA-N 2 2 246.398 2.780 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2c[nH+]cn2C)[C@H]2CCCC[C@@H]12 ZINC000531438112 323089563 /nfs/dbraw/zinc/08/95/63/323089563.db2.gz ASANMECKTVEPRU-SNPRPXQTSA-N 2 2 247.386 2.821 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]cn2C)[C@H]2CCCC[C@@H]12 ZINC000531438112 323089564 /nfs/dbraw/zinc/08/95/64/323089564.db2.gz ASANMECKTVEPRU-SNPRPXQTSA-N 2 2 247.386 2.821 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2c[nH+]cn2C)[C@H]2CCCC[C@H]12 ZINC000531438114 323089598 /nfs/dbraw/zinc/08/95/98/323089598.db2.gz ASANMECKTVEPRU-YUELXQCFSA-N 2 2 247.386 2.821 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]cn2C)[C@H]2CCCC[C@H]12 ZINC000531438114 323089599 /nfs/dbraw/zinc/08/95/99/323089599.db2.gz ASANMECKTVEPRU-YUELXQCFSA-N 2 2 247.386 2.821 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000531691903 323111701 /nfs/dbraw/zinc/11/17/01/323111701.db2.gz YYUJSNDDATTZSP-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000531691903 323111702 /nfs/dbraw/zinc/11/17/02/323111702.db2.gz YYUJSNDDATTZSP-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C1CC1 ZINC000563442819 323126818 /nfs/dbraw/zinc/12/68/18/323126818.db2.gz AJGGCXAYHCXESH-ZFWWWQNUSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C1CC1 ZINC000563442816 323126870 /nfs/dbraw/zinc/12/68/70/323126870.db2.gz AJGGCXAYHCXESH-DZGCQCFKSA-N 2 2 238.419 2.885 20 0 BFADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CCCC13CC3)CCCC2 ZINC000563548959 323129811 /nfs/dbraw/zinc/12/98/11/323129811.db2.gz BPHQSEGZMVNWGT-CYBMUJFWSA-N 2 2 245.370 2.642 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000403267905 323132845 /nfs/dbraw/zinc/13/28/45/323132845.db2.gz ZVQOZGLXTJXZIH-QMIVOQANSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C[N@H+]1C1CC1 ZINC000403267905 323132846 /nfs/dbraw/zinc/13/28/46/323132846.db2.gz ZVQOZGLXTJXZIH-QMIVOQANSA-N 2 2 248.414 2.637 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000563637954 323133244 /nfs/dbraw/zinc/13/32/44/323133244.db2.gz QUANBTHPRFBJGD-TZMCWYRMSA-N 2 2 235.375 2.787 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000563642650 323133495 /nfs/dbraw/zinc/13/34/95/323133495.db2.gz YASPRGODFADZAE-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000563642650 323133496 /nfs/dbraw/zinc/13/34/96/323133496.db2.gz YASPRGODFADZAE-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C[N@@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000563664979 323134090 /nfs/dbraw/zinc/13/40/90/323134090.db2.gz GAKDXLCVEUTTEC-AWEZNQCLSA-N 2 2 236.403 2.737 20 0 BFADLP CC1(C[N@H+]2CCCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000563664979 323134091 /nfs/dbraw/zinc/13/40/91/323134091.db2.gz GAKDXLCVEUTTEC-AWEZNQCLSA-N 2 2 236.403 2.737 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000414302563 323150397 /nfs/dbraw/zinc/15/03/97/323150397.db2.gz MQCOVWOFZDGBJT-MQYQWHSLSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000414302563 323150398 /nfs/dbraw/zinc/15/03/98/323150398.db2.gz MQCOVWOFZDGBJT-MQYQWHSLSA-N 2 2 238.419 2.741 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000534579938 323153879 /nfs/dbraw/zinc/15/38/79/323153879.db2.gz HQHYDYYXINPQPI-CQSZACIVSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000534579938 323153880 /nfs/dbraw/zinc/15/38/80/323153880.db2.gz HQHYDYYXINPQPI-CQSZACIVSA-N 2 2 247.386 2.790 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000531965857 323159477 /nfs/dbraw/zinc/15/94/77/323159477.db2.gz NMDSPPBWYZAVPW-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000531965857 323159478 /nfs/dbraw/zinc/15/94/78/323159478.db2.gz NMDSPPBWYZAVPW-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000531967969 323159995 /nfs/dbraw/zinc/15/99/95/323159995.db2.gz PWUGXQJDVSJLAV-TUVASFSCSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000531967969 323159996 /nfs/dbraw/zinc/15/99/96/323159996.db2.gz PWUGXQJDVSJLAV-TUVASFSCSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000531984508 323163778 /nfs/dbraw/zinc/16/37/78/323163778.db2.gz HFJDPBSSDYNXSZ-UONOGXRCSA-N 2 2 232.371 2.679 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000531984508 323163779 /nfs/dbraw/zinc/16/37/79/323163779.db2.gz HFJDPBSSDYNXSZ-UONOGXRCSA-N 2 2 232.371 2.679 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983921 323163911 /nfs/dbraw/zinc/16/39/11/323163911.db2.gz MRTGRNOKCOXYTI-CABCVRRESA-N 2 2 246.398 2.987 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983921 323163912 /nfs/dbraw/zinc/16/39/12/323163912.db2.gz MRTGRNOKCOXYTI-CABCVRRESA-N 2 2 246.398 2.987 20 0 BFADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@H]12 ZINC000535745384 323190269 /nfs/dbraw/zinc/19/02/69/323190269.db2.gz NJCKZAPBCUTMIC-RBSFLKMASA-N 2 2 247.386 2.784 20 0 BFADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@@H]2CCCC[C@H]12 ZINC000535745384 323190270 /nfs/dbraw/zinc/19/02/70/323190270.db2.gz NJCKZAPBCUTMIC-RBSFLKMASA-N 2 2 247.386 2.784 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C(\C)Cl)C[C@H]1C ZINC000528391602 323196761 /nfs/dbraw/zinc/19/67/61/323196761.db2.gz AANFZIHJWZNZCZ-YCBFNFSOSA-N 2 2 244.810 2.934 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C(\C)Cl)C[C@H]1C ZINC000528391602 323196762 /nfs/dbraw/zinc/19/67/62/323196762.db2.gz AANFZIHJWZNZCZ-YCBFNFSOSA-N 2 2 244.810 2.934 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C(\C)Cl)C[C@H]1C ZINC000528391602 323196763 /nfs/dbraw/zinc/19/67/63/323196763.db2.gz AANFZIHJWZNZCZ-YCBFNFSOSA-N 2 2 244.810 2.934 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C(\C)Cl)C[C@H]1C ZINC000528391602 323196764 /nfs/dbraw/zinc/19/67/64/323196764.db2.gz AANFZIHJWZNZCZ-YCBFNFSOSA-N 2 2 244.810 2.934 20 0 BFADLP Cc1cccn2c(C[NH2+]C3(C4CC4)CC3)c[nH+]c12 ZINC000532119598 323206529 /nfs/dbraw/zinc/20/65/29/323206529.db2.gz VEXHZDIQVGENBR-UHFFFAOYSA-N 2 2 241.338 2.675 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1F ZINC000530220494 323217818 /nfs/dbraw/zinc/21/78/18/323217818.db2.gz OIUAKNGNLUYGGO-BXUZGUMPSA-N 2 2 248.345 2.761 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)o1 ZINC000530222831 323218573 /nfs/dbraw/zinc/21/85/73/323218573.db2.gz RYHNTBKOKDRTRP-RISCZKNCSA-N 2 2 248.370 2.832 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000532468200 323266953 /nfs/dbraw/zinc/26/69/53/323266953.db2.gz NLAGSAVDTTYJQG-IPYPFGDCSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000532468200 323266955 /nfs/dbraw/zinc/26/69/55/323266955.db2.gz NLAGSAVDTTYJQG-IPYPFGDCSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000532502852 323271773 /nfs/dbraw/zinc/27/17/73/323271773.db2.gz JSJVYBKWUSZUOR-FMKPAKJESA-N 2 2 246.398 2.638 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000532502852 323271775 /nfs/dbraw/zinc/27/17/75/323271775.db2.gz JSJVYBKWUSZUOR-FMKPAKJESA-N 2 2 246.398 2.638 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000122081371 324026222 /nfs/dbraw/zinc/02/62/22/324026222.db2.gz LMXSWTQLFLXVQH-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400795217 324169001 /nfs/dbraw/zinc/16/90/01/324169001.db2.gz SRVRPBMTSBDJDJ-VNHYZAJKSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400795220 324169044 /nfs/dbraw/zinc/16/90/44/324169044.db2.gz SRVRPBMTSBDJDJ-YDHLFZDLSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1F ZINC000530176017 324507227 /nfs/dbraw/zinc/50/72/27/324507227.db2.gz ABSZDNLXDLUQOR-AWEZNQCLSA-N 2 2 248.345 2.508 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000530217767 324534999 /nfs/dbraw/zinc/53/49/99/324534999.db2.gz HMJUAEMUDXCVLT-BXUZGUMPSA-N 2 2 248.345 2.761 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000530223484 324542397 /nfs/dbraw/zinc/54/23/97/324542397.db2.gz SPFOJCAHHRREHI-UKRRQHHQSA-N 2 2 244.382 2.930 20 0 BFADLP Cc1cccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C(C)C)c1 ZINC000530227404 324547424 /nfs/dbraw/zinc/54/74/24/324547424.db2.gz XGHRDBKWJFJJQO-LSDHHAIUSA-N 2 2 232.371 2.644 20 0 BFADLP C[N@H+](CCC1CCCCC1)CCn1cc[nH+]c1 ZINC000131021512 325108497 /nfs/dbraw/zinc/10/84/97/325108497.db2.gz SLNXKOLHLVRMRX-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP C[N@@H+](CCC1CCCCC1)CCn1cc[nH+]c1 ZINC000131021512 325108498 /nfs/dbraw/zinc/10/84/98/325108498.db2.gz SLNXKOLHLVRMRX-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CC(C)[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000131351337 325140377 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325590931 /nfs/dbraw/zinc/59/09/31/325590931.db2.gz WXJUODJVXGSBLD-ZIAGYGMSSA-N 2 2 247.386 2.908 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000552061752 325593057 /nfs/dbraw/zinc/59/30/57/325593057.db2.gz YTACCTVXFCLGMG-GJZGRUSLSA-N 2 2 232.371 2.957 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@@H](C)[C@H]2C)n1C ZINC000565236614 325883660 /nfs/dbraw/zinc/88/36/60/325883660.db2.gz CQOPEPYEJNZUOF-BZPMIXESSA-N 2 2 249.402 2.890 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000566415506 326041804 /nfs/dbraw/zinc/04/18/04/326041804.db2.gz BJCKTMHCECSSTL-MGPQQGTHSA-N 2 2 249.402 2.719 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000566415506 326041806 /nfs/dbraw/zinc/04/18/06/326041806.db2.gz BJCKTMHCECSSTL-MGPQQGTHSA-N 2 2 249.402 2.719 20 0 BFADLP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000566415507 326042153 /nfs/dbraw/zinc/04/21/53/326042153.db2.gz BJCKTMHCECSSTL-RDBSUJKOSA-N 2 2 249.402 2.719 20 0 BFADLP 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Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)[nH+]1 ZINC000226832697 491052012 /nfs/dbraw/zinc/05/20/12/491052012.db2.gz GVOHHRKQKXBGMP-AAEUAGOBSA-N 2 2 233.359 2.593 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000094077231 491074814 /nfs/dbraw/zinc/07/48/14/491074814.db2.gz VPLHLVUWWNHYTM-WFASDCNBSA-N 2 2 246.398 2.997 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@@H](C)C[NH+](C)C ZINC000395241821 491125808 /nfs/dbraw/zinc/12/58/08/491125808.db2.gz UQEIIIUQSLDSLO-LBPRGKRZSA-N 2 2 214.397 2.743 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)[C@H]1C ZINC000495078138 533947216 /nfs/dbraw/zinc/94/72/16/533947216.db2.gz HYTNFPKGGARKFC-MRLBHPIUSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@H]1C ZINC000495078138 533947223 /nfs/dbraw/zinc/94/72/23/533947223.db2.gz HYTNFPKGGARKFC-MRLBHPIUSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000494910325 533943418 /nfs/dbraw/zinc/94/34/18/533943418.db2.gz NWWABMCQHHWGRJ-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000494916684 534086948 /nfs/dbraw/zinc/08/69/48/534086948.db2.gz JKNIIIKFBLMOKI-QMIVOQANSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000494916684 534086954 /nfs/dbraw/zinc/08/69/54/534086954.db2.gz JKNIIIKFBLMOKI-QMIVOQANSA-N 2 2 238.419 2.883 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000487560558 528118904 /nfs/dbraw/zinc/11/89/04/528118904.db2.gz OUWZURQMNMBRHG-UONOGXRCSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)[C@H]2CC2(C)C)CC1 ZINC000487560558 528118909 /nfs/dbraw/zinc/11/89/09/528118909.db2.gz OUWZURQMNMBRHG-UONOGXRCSA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000479417152 528171682 /nfs/dbraw/zinc/17/16/82/528171682.db2.gz SKAJZNMLOVRHJA-CZUORRHYSA-N 2 2 246.398 2.850 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000479417152 528171688 /nfs/dbraw/zinc/17/16/88/528171688.db2.gz SKAJZNMLOVRHJA-CZUORRHYSA-N 2 2 246.398 2.850 20 0 BFADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@H]1C[C@H]1C)CC2 ZINC000488313995 529111882 /nfs/dbraw/zinc/11/18/82/529111882.db2.gz NUKKRTCUUTXKBI-TUVASFSCSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@H]1C[C@H]1C)CC2 ZINC000488313995 529111884 /nfs/dbraw/zinc/11/18/84/529111884.db2.gz NUKKRTCUUTXKBI-TUVASFSCSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C[C@H]1C[C@H]1C)CC2 ZINC000488313995 529111889 /nfs/dbraw/zinc/11/18/89/529111889.db2.gz NUKKRTCUUTXKBI-TUVASFSCSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C[C@H]1C[C@H]1C)CC2 ZINC000488313995 529111892 /nfs/dbraw/zinc/11/18/92/529111892.db2.gz NUKKRTCUUTXKBI-TUVASFSCSA-N 2 2 236.403 2.590 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000480334552 529283536 /nfs/dbraw/zinc/28/35/36/529283536.db2.gz KDGDNBXVTXRBEF-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000480334552 529283537 /nfs/dbraw/zinc/28/35/37/529283537.db2.gz KDGDNBXVTXRBEF-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP CC/C=C/C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000295112037 535243003 /nfs/dbraw/zinc/24/30/03/535243003.db2.gz WFBXGZFGUZMJAV-HWKANZROSA-N 2 2 245.370 2.606 20 0 BFADLP C[NH+](C)CC[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000168289981 535891050 /nfs/dbraw/zinc/89/10/50/535891050.db2.gz SSZAVKJPLJIEBA-UHFFFAOYSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]1CC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000348090567 536099574 /nfs/dbraw/zinc/09/95/74/536099574.db2.gz WEJGVVRBPWIEKO-GXTWGEPZSA-N 2 2 247.386 2.540 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000342586047 536351775 /nfs/dbraw/zinc/35/17/75/536351775.db2.gz ZCZUKXNQZKSFNA-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000342586047 536351776 /nfs/dbraw/zinc/35/17/76/536351776.db2.gz ZCZUKXNQZKSFNA-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+](Cc1sccc1Cl)C1CC[NH2+]CC1 ZINC000261535586 536487459 /nfs/dbraw/zinc/48/74/59/536487459.db2.gz ORMYUGCWRWDJDV-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP C[N@H+](Cc1sccc1Cl)C1CC[NH2+]CC1 ZINC000261535586 536487458 /nfs/dbraw/zinc/48/74/58/536487458.db2.gz ORMYUGCWRWDJDV-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP c1ccc(NCCC[NH2+][C@H]2CC[C@H]2C2CC2)[nH+]c1 ZINC000348073407 566261587 /nfs/dbraw/zinc/26/15/87/566261587.db2.gz LFUAYBGVEJJEGJ-KBPBESRZSA-N 2 2 245.370 2.662 20 0 BFADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000854227439 588781030 /nfs/dbraw/zinc/78/10/30/588781030.db2.gz OQGSMCDSLGJRRH-XIKARTHZSA-N 2 2 248.345 2.537 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000394513889 582989913 /nfs/dbraw/zinc/98/99/13/582989913.db2.gz CCUCZRJPJZPSAN-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000394513889 582989914 /nfs/dbraw/zinc/98/99/14/582989914.db2.gz CCUCZRJPJZPSAN-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000394513887 582990238 /nfs/dbraw/zinc/99/02/38/582990238.db2.gz CCUCZRJPJZPSAN-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000394513887 582990240 /nfs/dbraw/zinc/99/02/40/582990240.db2.gz CCUCZRJPJZPSAN-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cc[nH+]c(N)c1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000893931550 583251394 /nfs/dbraw/zinc/25/13/94/583251394.db2.gz QICWJIAYILCWTM-LLVKDONJSA-N 2 2 245.326 2.758 20 0 BFADLP Cc1cc[nH+]c(N)c1C[N@H+](C)[C@H](C)c1ccco1 ZINC000893931550 583251396 /nfs/dbraw/zinc/25/13/96/583251396.db2.gz QICWJIAYILCWTM-LLVKDONJSA-N 2 2 245.326 2.758 20 0 BFADLP Cc1cc[nH+]c(N)c1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000893931551 583251865 /nfs/dbraw/zinc/25/18/65/583251865.db2.gz QICWJIAYILCWTM-NSHDSACASA-N 2 2 245.326 2.758 20 0 BFADLP Cc1cc[nH+]c(N)c1C[N@H+](C)[C@@H](C)c1ccco1 ZINC000893931551 583251867 /nfs/dbraw/zinc/25/18/67/583251867.db2.gz QICWJIAYILCWTM-NSHDSACASA-N 2 2 245.326 2.758 20 0 BFADLP CC[N@H+](Cc1ccoc1)Cc1c(C)cc[nH+]c1N ZINC000893993388 583267106 /nfs/dbraw/zinc/26/71/06/583267106.db2.gz QIKOXSNGVIQLJM-UHFFFAOYSA-N 2 2 245.326 2.587 20 0 BFADLP CC[N@@H+](Cc1ccoc1)Cc1c(C)cc[nH+]c1N ZINC000893993388 583267108 /nfs/dbraw/zinc/26/71/08/583267108.db2.gz QIKOXSNGVIQLJM-UHFFFAOYSA-N 2 2 245.326 2.587 20 0 BFADLP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000894369759 583440061 /nfs/dbraw/zinc/44/00/61/583440061.db2.gz CMMLDKPSPSCDJE-IAQYHMDHSA-N 2 2 241.338 2.823 20 0 BFADLP CCC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880131166 583470460 /nfs/dbraw/zinc/47/04/60/583470460.db2.gz HRVUYOBGTRTPFL-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880131166 583470461 /nfs/dbraw/zinc/47/04/61/583470461.db2.gz HRVUYOBGTRTPFL-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880131166 583470464 /nfs/dbraw/zinc/47/04/64/583470464.db2.gz HRVUYOBGTRTPFL-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880131166 583470467 /nfs/dbraw/zinc/47/04/67/583470467.db2.gz HRVUYOBGTRTPFL-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP Fc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH]cn1)CCC2 ZINC000894613344 583494683 /nfs/dbraw/zinc/49/46/83/583494683.db2.gz AEIFDNVCGUMWMN-CQSZACIVSA-N 2 2 245.301 2.716 20 0 BFADLP c1[nH]c(C[NH2+]C[C@@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000894851031 583531630 /nfs/dbraw/zinc/53/16/30/583531630.db2.gz MQOSTDQUTULKPN-HNNXBMFYSA-N 2 2 241.338 2.693 20 0 BFADLP Cc1ccc2cc[nH+]c(NC[C@H]3CC[N@@H+]3C)c2c1 ZINC000895769215 583724338 /nfs/dbraw/zinc/72/43/38/583724338.db2.gz OJYPGNFYKUKPTJ-CYBMUJFWSA-N 2 2 241.338 2.659 20 0 BFADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC000896552820 583811031 /nfs/dbraw/zinc/81/10/31/583811031.db2.gz JNPPJGVJNDGBIA-GDBMZVCRSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC000896552820 583811032 /nfs/dbraw/zinc/81/10/32/583811032.db2.gz JNPPJGVJNDGBIA-GDBMZVCRSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000896555096 583812109 /nfs/dbraw/zinc/81/21/09/583812109.db2.gz YFIIOGRYXMPEOF-IJEWVQPXSA-N 2 2 246.398 2.781 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC000896555096 583812111 /nfs/dbraw/zinc/81/21/11/583812111.db2.gz YFIIOGRYXMPEOF-IJEWVQPXSA-N 2 2 246.398 2.781 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2CC2)C[N@@H+]1C1CC1 ZINC000897438675 583984012 /nfs/dbraw/zinc/98/40/12/583984012.db2.gz GVQXNPJEMVVBEW-YPMHNXCESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2CC2)C[N@H+]1C1CC1 ZINC000897438675 583984013 /nfs/dbraw/zinc/98/40/13/583984013.db2.gz GVQXNPJEMVVBEW-YPMHNXCESA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C[NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000897439425 583984242 /nfs/dbraw/zinc/98/42/42/583984242.db2.gz WNMQTFOWCMEDJY-UHFFFAOYSA-N 2 2 243.354 2.860 20 0 BFADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000898034055 584078291 /nfs/dbraw/zinc/07/82/91/584078291.db2.gz HHEJZNKXACRNGY-CYBMUJFWSA-N 2 2 236.403 2.641 20 0 BFADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCC23CCC3)C1 ZINC000898034055 584078292 /nfs/dbraw/zinc/07/82/92/584078292.db2.gz HHEJZNKXACRNGY-CYBMUJFWSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)s1 ZINC000902416138 584590344 /nfs/dbraw/zinc/59/03/44/584590344.db2.gz SPUVJWNVKXWIAJ-ZETCQYMHSA-N 2 2 230.764 2.543 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CCC1 ZINC000902435829 584596416 /nfs/dbraw/zinc/59/64/16/584596416.db2.gz VOBIIYAMRUWJQS-BZUAXINKSA-N 2 2 244.382 2.779 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902440215 584596982 /nfs/dbraw/zinc/59/69/82/584596982.db2.gz WUQOOBFGECWZOK-NWANDNLSSA-N 2 2 244.382 2.779 20 0 BFADLP C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902443122 584598235 /nfs/dbraw/zinc/59/82/35/584598235.db2.gz KDHLXWBTUFFJIH-RAEVTNRLSA-N 2 2 244.382 2.779 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C(C)C ZINC000902443854 584598476 /nfs/dbraw/zinc/59/84/76/584598476.db2.gz MJDRLIZCIKIIJG-RBSFLKMASA-N 2 2 232.371 2.635 20 0 BFADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000902444292 584598527 /nfs/dbraw/zinc/59/85/27/584598527.db2.gz GQIXUGYVEHKXKM-CABCVRRESA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000902445220 584598744 /nfs/dbraw/zinc/59/87/44/584598744.db2.gz PGDLFQGNFROHIL-NEPJUHHUSA-N 2 2 238.400 2.787 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)CC2 ZINC000902446059 584600523 /nfs/dbraw/zinc/60/05/23/584600523.db2.gz OEELFHBLXKVQGX-HUUCEWRRSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)cc1Cl ZINC000902414978 584600746 /nfs/dbraw/zinc/60/07/46/584600746.db2.gz IPVOZCYYLQLCSV-QMMMGPOBSA-N 2 2 242.725 2.621 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC000902473123 584601019 /nfs/dbraw/zinc/60/10/19/584601019.db2.gz RLQNNAFCARDKPT-APIJFGDWSA-N 2 2 230.355 2.620 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902473158 584601111 /nfs/dbraw/zinc/60/11/11/584601111.db2.gz SRFPXZIEZQLLAP-LUYZLQTOSA-N 2 2 244.382 2.847 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902473010 584601586 /nfs/dbraw/zinc/60/15/86/584601586.db2.gz OCXRAQRCMOLDDN-DRPJVOAASA-N 2 2 244.382 2.847 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC000902476174 584602605 /nfs/dbraw/zinc/60/26/05/584602605.db2.gz MWAGXKDVXVKPIQ-QKPAOTATSA-N 2 2 244.382 2.866 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902465244 584612782 /nfs/dbraw/zinc/61/27/82/584612782.db2.gz DIYIGVJVCNTHCT-DANNLKNASA-N 2 2 244.382 2.793 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccs1 ZINC000902464564 584613141 /nfs/dbraw/zinc/61/31/41/584613141.db2.gz AGWOEJSFHIGLRX-IRCOFANPSA-N 2 2 236.384 2.682 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902464766 584613172 /nfs/dbraw/zinc/61/31/72/584613172.db2.gz CPZRHWPOOVEOGV-SPWCGHHHSA-N 2 2 230.355 2.539 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902465459 584613739 /nfs/dbraw/zinc/61/37/39/584613739.db2.gz GAWKCLIQQFAMJS-FAAHXZRKSA-N 2 2 230.355 2.539 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccsc1 ZINC000902470431 584616555 /nfs/dbraw/zinc/61/65/55/584616555.db2.gz XDROXECNPHMTEI-WUHRBBMRSA-N 2 2 236.384 2.682 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000902491303 584618246 /nfs/dbraw/zinc/61/82/46/584618246.db2.gz XGJTVCULGNSJJD-UKRRQHHQSA-N 2 2 232.371 2.869 20 0 BFADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902484544 584625012 /nfs/dbraw/zinc/62/50/12/584625012.db2.gz WFBXWCCIOSTEDY-ZIAGYGMSSA-N 2 2 247.386 2.573 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cccs1 ZINC000902486510 584625836 /nfs/dbraw/zinc/62/58/36/584625836.db2.gz FPDJIJALKRBRQB-VXGBXAGGSA-N 2 2 238.400 2.931 20 0 BFADLP CC[N@H+](CC[NH2+]C1C[C@@H]2CCC[C@H]2C1)C1CC1 ZINC000902786179 584668570 /nfs/dbraw/zinc/66/85/70/584668570.db2.gz LEZKOXFFLGXPIS-STQMWFEESA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+]C1C[C@@H]2CCC[C@H]2C1)C1CC1 ZINC000902786179 584668572 /nfs/dbraw/zinc/66/85/72/584668572.db2.gz LEZKOXFFLGXPIS-STQMWFEESA-N 2 2 236.403 2.639 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902796793 584674843 /nfs/dbraw/zinc/67/48/43/584674843.db2.gz QGHGYAJHGMYFTO-RBSFLKMASA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902796793 584674844 /nfs/dbraw/zinc/67/48/44/584674844.db2.gz QGHGYAJHGMYFTO-RBSFLKMASA-N 2 2 248.414 2.639 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902827185 584676820 /nfs/dbraw/zinc/67/68/20/584676820.db2.gz XOWFCAIASYJNLE-XQLPTFJDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902827185 584676823 /nfs/dbraw/zinc/67/68/23/584676823.db2.gz XOWFCAIASYJNLE-XQLPTFJDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902827183 584676870 /nfs/dbraw/zinc/67/68/70/584676870.db2.gz XOWFCAIASYJNLE-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902827183 584676871 /nfs/dbraw/zinc/67/68/71/584676871.db2.gz XOWFCAIASYJNLE-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CCC1 ZINC000902966484 584702602 /nfs/dbraw/zinc/70/26/02/584702602.db2.gz FNGOAKXNJQCWAV-BTTYYORXSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1C ZINC000903055339 584722072 /nfs/dbraw/zinc/72/20/72/584722072.db2.gz CBUVJUZAUGNNHX-QPSCCSFWSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCc2cn(C)c[nH+]2)[C@H]1C ZINC000903184067 584733466 /nfs/dbraw/zinc/73/34/66/584733466.db2.gz SWZPGPLAEXTERY-OSFYFWSMSA-N 2 2 249.402 2.623 20 0 BFADLP CN(C)c1cc[nH+]c(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000903199270 584734664 /nfs/dbraw/zinc/73/46/64/584734664.db2.gz WTPBJAAANVMSMA-LBPRGKRZSA-N 2 2 247.386 2.816 20 0 BFADLP CC[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)[C@H]1C[C@H]1C ZINC000903197645 584734838 /nfs/dbraw/zinc/73/48/38/584734838.db2.gz RWLHVDOBDKKHKW-UGFHNGPFSA-N 2 2 247.386 2.672 20 0 BFADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000903199417 584734946 /nfs/dbraw/zinc/73/49/46/584734946.db2.gz XBNLKGOJNPPWCY-CQSZACIVSA-N 2 2 245.370 2.570 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300812 584744057 /nfs/dbraw/zinc/74/40/57/584744057.db2.gz KVPOGGRBZDPWSU-GUYJKWIASA-N 2 2 244.382 2.602 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300812 584744058 /nfs/dbraw/zinc/74/40/58/584744058.db2.gz KVPOGGRBZDPWSU-GUYJKWIASA-N 2 2 244.382 2.602 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903301322 584744787 /nfs/dbraw/zinc/74/47/87/584744787.db2.gz OTGVCJYTAMSRSO-MAZHCROVSA-N 2 2 244.382 2.665 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903301322 584744788 /nfs/dbraw/zinc/74/47/88/584744788.db2.gz OTGVCJYTAMSRSO-MAZHCROVSA-N 2 2 244.382 2.665 20 0 BFADLP CCCCC1([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000903311629 584748083 /nfs/dbraw/zinc/74/80/83/584748083.db2.gz QRZMZHOXAZTLKI-STQMWFEESA-N 2 2 236.403 2.924 20 0 BFADLP CCCCC1([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000903311629 584748084 /nfs/dbraw/zinc/74/80/84/584748084.db2.gz QRZMZHOXAZTLKI-STQMWFEESA-N 2 2 236.403 2.924 20 0 BFADLP CCCCC1([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000903311626 584748144 /nfs/dbraw/zinc/74/81/44/584748144.db2.gz QRZMZHOXAZTLKI-OLZOCXBDSA-N 2 2 236.403 2.924 20 0 BFADLP CCCCC1([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000903311626 584748145 /nfs/dbraw/zinc/74/81/45/584748145.db2.gz QRZMZHOXAZTLKI-OLZOCXBDSA-N 2 2 236.403 2.924 20 0 BFADLP CCSc1ccccc1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000903425247 584761187 /nfs/dbraw/zinc/76/11/87/584761187.db2.gz YIWWGXCAYWGNAD-NSHDSACASA-N 2 2 238.400 2.578 20 0 BFADLP CCSc1ccccc1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000903425247 584761188 /nfs/dbraw/zinc/76/11/88/584761188.db2.gz YIWWGXCAYWGNAD-NSHDSACASA-N 2 2 238.400 2.578 20 0 BFADLP c1cc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)cs1 ZINC000903431032 584761560 /nfs/dbraw/zinc/76/15/60/584761560.db2.gz DJILCGUNJMOOLY-OLZOCXBDSA-N 2 2 236.384 2.637 20 0 BFADLP c1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)cs1 ZINC000903431032 584761561 /nfs/dbraw/zinc/76/15/61/584761561.db2.gz DJILCGUNJMOOLY-OLZOCXBDSA-N 2 2 236.384 2.637 20 0 BFADLP CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440146 584763254 /nfs/dbraw/zinc/76/32/54/584763254.db2.gz USGWXTUNZNJPJL-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440146 584763255 /nfs/dbraw/zinc/76/32/55/584763255.db2.gz USGWXTUNZNJPJL-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]1[C@H](C)CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440440 584763423 /nfs/dbraw/zinc/76/34/23/584763423.db2.gz XYAUXQFQZWARSK-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]1[C@H](C)CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440440 584763425 /nfs/dbraw/zinc/76/34/25/584763425.db2.gz XYAUXQFQZWARSK-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(C2CCCCC2)CC1 ZINC000903447631 584770805 /nfs/dbraw/zinc/77/08/05/584770805.db2.gz AHSAXVQXXYYAAR-GXTWGEPZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(C2CCCCC2)CC1 ZINC000903447631 584770806 /nfs/dbraw/zinc/77/08/06/584770806.db2.gz AHSAXVQXXYYAAR-GXTWGEPZSA-N 2 2 236.403 2.639 20 0 BFADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000903475761 584776914 /nfs/dbraw/zinc/77/69/14/584776914.db2.gz CHJCYULWHUVITF-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@H](C2CCC2)CC1 ZINC000903475761 584776916 /nfs/dbraw/zinc/77/69/16/584776916.db2.gz CHJCYULWHUVITF-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000903765518 584797039 /nfs/dbraw/zinc/79/70/39/584797039.db2.gz IZEZYUANVFKSQE-UHFFFAOYSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1CC2CC1(C[NH3+])C2 ZINC000903765518 584797041 /nfs/dbraw/zinc/79/70/41/584797041.db2.gz IZEZYUANVFKSQE-UHFFFAOYSA-N 2 2 244.382 2.733 20 0 BFADLP FCc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903770324 584798276 /nfs/dbraw/zinc/79/82/76/584798276.db2.gz WWORHOIITGSRAG-CQSZACIVSA-N 2 2 248.345 2.530 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000903778489 584799591 /nfs/dbraw/zinc/79/95/91/584799591.db2.gz NNUVUEXQNLNVFO-JSGCOSHPSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@@H]1C ZINC000903778489 584799592 /nfs/dbraw/zinc/79/95/92/584799592.db2.gz NNUVUEXQNLNVFO-JSGCOSHPSA-N 2 2 232.371 2.732 20 0 BFADLP CC(F)(F)CCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806668 584802970 /nfs/dbraw/zinc/80/29/70/584802970.db2.gz ZRHSEXQGGOZKTF-WCQYABFASA-N 2 2 246.345 2.625 20 0 BFADLP CC(F)(F)CCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903806668 584802972 /nfs/dbraw/zinc/80/29/72/584802972.db2.gz ZRHSEXQGGOZKTF-WCQYABFASA-N 2 2 246.345 2.625 20 0 BFADLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000903822157 584803782 /nfs/dbraw/zinc/80/37/82/584803782.db2.gz XZBVDZHQXNWRRK-OAHLLOKOSA-N 2 2 244.382 2.652 20 0 BFADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000903822156 584804065 /nfs/dbraw/zinc/80/40/65/584804065.db2.gz XZBVDZHQXNWRRK-HNNXBMFYSA-N 2 2 244.382 2.652 20 0 BFADLP CCC1CCC([NH2+]Cc2cc(N)cc[nH+]2)CC1 ZINC000903949837 584830055 /nfs/dbraw/zinc/83/00/55/584830055.db2.gz DZZVGCBUAPYRFX-UHFFFAOYSA-N 2 2 233.359 2.722 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950236 584830536 /nfs/dbraw/zinc/83/05/36/584830536.db2.gz KOCPYDMKXWDSCU-WCQYABFASA-N 2 2 233.359 2.722 20 0 BFADLP CCCC(CCC)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950673 584830640 /nfs/dbraw/zinc/83/06/40/584830640.db2.gz QOGDERZLABEYKO-UHFFFAOYSA-N 2 2 221.348 2.722 20 0 BFADLP C[C@@H](C[NH2+]Cc1cc(N)cc[nH+]1)c1ccccc1 ZINC000903953142 584831341 /nfs/dbraw/zinc/83/13/41/584831341.db2.gz ASBDHOGRGZHJKP-LBPRGKRZSA-N 2 2 241.338 2.557 20 0 BFADLP Nc1cc[nH+]c(C[NH2+]CCC2CCCCC2)c1 ZINC000903953346 584831655 /nfs/dbraw/zinc/83/16/55/584831655.db2.gz DHUSUZAGZJYOOR-UHFFFAOYSA-N 2 2 233.359 2.724 20 0 BFADLP CC(C)(C)CC[C@H]([NH3+])C[N@@H+]1CCCSCC1 ZINC000904329972 584865945 /nfs/dbraw/zinc/86/59/45/584865945.db2.gz VVCMJTYJNIIYJN-LBPRGKRZSA-N 2 2 244.448 2.579 20 0 BFADLP CC(C)(C)CC[C@H]([NH3+])C[N@H+]1CCCSCC1 ZINC000904329972 584865946 /nfs/dbraw/zinc/86/59/46/584865946.db2.gz VVCMJTYJNIIYJN-LBPRGKRZSA-N 2 2 244.448 2.579 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904354292 584870418 /nfs/dbraw/zinc/87/04/18/584870418.db2.gz DOQYINJEPXHGQW-SFYZADRCSA-N 2 2 246.276 2.589 20 0 BFADLP C[C@@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccccn1 ZINC000904368822 584872901 /nfs/dbraw/zinc/87/29/01/584872901.db2.gz VWZPWVQOFOUYIY-CHWSQXEVSA-N 2 2 249.402 2.886 20 0 BFADLP CCCC(CCC)[NH2+]CC(C)(C)[NH+](C)C ZINC000020125920 584906464 /nfs/dbraw/zinc/90/64/64/584906464.db2.gz IAYPJYVOZOOXMM-UHFFFAOYSA-N 2 2 214.397 2.885 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000746049658 585162530 /nfs/dbraw/zinc/16/25/30/585162530.db2.gz UPAFVSUJENDJFF-UONOGXRCSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000746049658 585162531 /nfs/dbraw/zinc/16/25/31/585162531.db2.gz UPAFVSUJENDJFF-UONOGXRCSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000746049656 585162680 /nfs/dbraw/zinc/16/26/80/585162680.db2.gz UPAFVSUJENDJFF-KBPBESRZSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000746049656 585162681 /nfs/dbraw/zinc/16/26/81/585162681.db2.gz UPAFVSUJENDJFF-KBPBESRZSA-N 2 2 232.371 2.822 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\Cl)C[C@@H]1C ZINC000749114206 585199524 /nfs/dbraw/zinc/19/95/24/585199524.db2.gz ARQXHAHWIXHMNY-RAUBUVQISA-N 2 2 230.783 2.544 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\Cl)C[C@@H]1C ZINC000749114206 585199525 /nfs/dbraw/zinc/19/95/25/585199525.db2.gz ARQXHAHWIXHMNY-RAUBUVQISA-N 2 2 230.783 2.544 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\Cl)C[C@@H]1C ZINC000749114206 585199526 /nfs/dbraw/zinc/19/95/26/585199526.db2.gz ARQXHAHWIXHMNY-RAUBUVQISA-N 2 2 230.783 2.544 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\Cl)C[C@@H]1C ZINC000749114206 585199527 /nfs/dbraw/zinc/19/95/27/585199527.db2.gz ARQXHAHWIXHMNY-RAUBUVQISA-N 2 2 230.783 2.544 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC2(CC2)CC1 ZINC000752926368 585251431 /nfs/dbraw/zinc/25/14/31/585251431.db2.gz NXCXNHDBVVRCDF-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC2(CC2)CC1 ZINC000752926368 585251432 /nfs/dbraw/zinc/25/14/32/585251432.db2.gz NXCXNHDBVVRCDF-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C1)CC1CCCCC1 ZINC000757845875 585345738 /nfs/dbraw/zinc/34/57/38/585345738.db2.gz CBEHGVZFIHGQPX-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C1)CC1CCCCC1 ZINC000757845875 585345739 /nfs/dbraw/zinc/34/57/39/585345739.db2.gz CBEHGVZFIHGQPX-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000765683109 585491952 /nfs/dbraw/zinc/49/19/52/585491952.db2.gz DPCHHTONSIHAGL-HOTGVXAUSA-N 2 2 246.398 2.692 20 0 BFADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000765683109 585491953 /nfs/dbraw/zinc/49/19/53/585491953.db2.gz DPCHHTONSIHAGL-HOTGVXAUSA-N 2 2 246.398 2.692 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccoc2)C[C@H]1C ZINC000769469946 585557486 /nfs/dbraw/zinc/55/74/86/585557486.db2.gz ICXUMMYNSTVUCW-TZMCWYRMSA-N 2 2 236.359 2.584 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccoc2)C[C@H]1C ZINC000769469946 585557487 /nfs/dbraw/zinc/55/74/87/585557487.db2.gz ICXUMMYNSTVUCW-TZMCWYRMSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccoc2)C[C@H]1C ZINC000769469946 585557488 /nfs/dbraw/zinc/55/74/88/585557488.db2.gz ICXUMMYNSTVUCW-TZMCWYRMSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccoc2)C[C@H]1C ZINC000769469946 585557489 /nfs/dbraw/zinc/55/74/89/585557489.db2.gz ICXUMMYNSTVUCW-TZMCWYRMSA-N 2 2 236.359 2.584 20 0 BFADLP C[C@H]([NH2+]Cc1cccc2[nH+]ccn21)C1(C)CC1 ZINC000769688686 585561917 /nfs/dbraw/zinc/56/19/17/585561917.db2.gz BUSPXGRAZQAKTN-NSHDSACASA-N 2 2 229.327 2.613 20 0 BFADLP CCCC1CCC(C[NH2+][C@H]2CC[N@H+](C)C2)CC1 ZINC000771832809 585601698 /nfs/dbraw/zinc/60/16/98/585601698.db2.gz PJUSEMYEGGIVNL-NRXISQOPSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC1CCC(C[NH2+][C@H]2CC[N@@H+](C)C2)CC1 ZINC000771832809 585601699 /nfs/dbraw/zinc/60/16/99/585601699.db2.gz PJUSEMYEGGIVNL-NRXISQOPSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)C3(C)CC3)n2c1 ZINC000771953067 585605405 /nfs/dbraw/zinc/60/54/05/585605405.db2.gz IAZNEOJGDJXNRZ-GFCCVEGCSA-N 2 2 243.354 2.921 20 0 BFADLP CCC[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000776350392 585696282 /nfs/dbraw/zinc/69/62/82/585696282.db2.gz JQLVNZBRYHKPCW-JKSUJKDBSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000776350392 585696283 /nfs/dbraw/zinc/69/62/83/585696283.db2.gz JQLVNZBRYHKPCW-JKSUJKDBSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)Cc2ccccc21 ZINC000779460465 585755572 /nfs/dbraw/zinc/75/55/72/585755572.db2.gz OYNXZDGUMUSYCK-ZDUSSCGKSA-N 2 2 241.338 2.502 20 0 BFADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc21 ZINC000779460465 585755573 /nfs/dbraw/zinc/75/55/73/585755573.db2.gz OYNXZDGUMUSYCK-ZDUSSCGKSA-N 2 2 241.338 2.502 20 0 BFADLP C[C@H](C1CC1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000782192965 585811623 /nfs/dbraw/zinc/81/16/23/585811623.db2.gz XUJOFZKDLSABMZ-BZPMIXESSA-N 2 2 233.359 2.565 20 0 BFADLP C[C@H](C1CC1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000782192965 585811624 /nfs/dbraw/zinc/81/16/24/585811624.db2.gz XUJOFZKDLSABMZ-BZPMIXESSA-N 2 2 233.359 2.565 20 0 BFADLP C[C@H]1CC[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000783227067 585831468 /nfs/dbraw/zinc/83/14/68/585831468.db2.gz SMMBCCFLOKOLCL-RYUDHWBXSA-N 2 2 243.354 2.884 20 0 BFADLP C[C@@H](CC[NH2+]Cc1ccoc1)[NH+]1CCCCC1 ZINC000784671672 585865578 /nfs/dbraw/zinc/86/55/78/585865578.db2.gz SAZOXMNXIGRBFK-ZDUSSCGKSA-N 2 2 236.359 2.634 20 0 BFADLP CC[C@](C)([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000796448859 586103185 /nfs/dbraw/zinc/10/31/85/586103185.db2.gz IUTGPIQQYVCPOY-AWEZNQCLSA-N 2 2 229.327 2.825 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000796703150 586110359 /nfs/dbraw/zinc/11/03/59/586110359.db2.gz SIICBRGCOYJQIN-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1C ZINC000816649080 586751860 /nfs/dbraw/zinc/75/18/60/586751860.db2.gz SXNLPMJKLJIMIX-GHMZBOCLSA-N 2 2 247.367 2.774 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@@H]1C ZINC000816649080 586751861 /nfs/dbraw/zinc/75/18/61/586751861.db2.gz SXNLPMJKLJIMIX-GHMZBOCLSA-N 2 2 247.367 2.774 20 0 BFADLP Cc1cc(F)ccc1[C@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000817953345 586848969 /nfs/dbraw/zinc/84/89/69/586848969.db2.gz KZHVKCSJFMPEGH-NSHDSACASA-N 2 2 236.334 2.537 20 0 BFADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817954581 586850249 /nfs/dbraw/zinc/85/02/49/586850249.db2.gz ZGPOVUCLCRSMQP-AAEUAGOBSA-N 2 2 236.334 2.537 20 0 BFADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 ZINC000823813225 587241203 /nfs/dbraw/zinc/24/12/03/587241203.db2.gz XFTAKAHOSFFDAA-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 ZINC000823813225 587241204 /nfs/dbraw/zinc/24/12/04/587241204.db2.gz XFTAKAHOSFFDAA-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000824097630 587255159 /nfs/dbraw/zinc/25/51/59/587255159.db2.gz AVPOVNHVLJMFIL-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000824097630 587255160 /nfs/dbraw/zinc/25/51/60/587255160.db2.gz AVPOVNHVLJMFIL-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000824097631 587255180 /nfs/dbraw/zinc/25/51/80/587255180.db2.gz AVPOVNHVLJMFIL-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000824097631 587255181 /nfs/dbraw/zinc/25/51/81/587255181.db2.gz AVPOVNHVLJMFIL-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C=CCC1 ZINC000826941654 587366371 /nfs/dbraw/zinc/36/63/71/587366371.db2.gz JOWTWDGQXLBVHL-AWEZNQCLSA-N 2 2 216.328 2.631 20 0 BFADLP C[C@H](CSC(C)(C)C)[NH2+]CC1([NH+](C)C)CC1 ZINC000841761998 587974393 /nfs/dbraw/zinc/97/43/93/587974393.db2.gz IXASIUBGSZQZFM-LLVKDONJSA-N 2 2 244.448 2.590 20 0 BFADLP CC[C@](C)([NH2+]CCCCCC[NH3+])C(F)(F)F ZINC000846221743 588261187 /nfs/dbraw/zinc/26/11/87/588261187.db2.gz NDBUFHZHXIXZIR-JTQLQIEISA-N 2 2 240.313 2.826 20 0 BFADLP CC(C)c1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000848533228 588393970 /nfs/dbraw/zinc/39/39/70/588393970.db2.gz IJRDXNYBZZKEAB-CQSZACIVSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000848533228 588393972 /nfs/dbraw/zinc/39/39/72/588393972.db2.gz IJRDXNYBZZKEAB-CQSZACIVSA-N 2 2 232.371 2.604 20 0 BFADLP c1cn(-c2csc(C[NH2+][C@@H]3C=CCC3)c2)c[nH+]1 ZINC000850358295 588539236 /nfs/dbraw/zinc/53/92/36/588539236.db2.gz ALNUBQXTVQTYER-LLVKDONJSA-N 2 2 245.351 2.742 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)(C)C(F)F ZINC000850438516 588546551 /nfs/dbraw/zinc/54/65/51/588546551.db2.gz GRJCXVDVAMLRJZ-MNOVXSKESA-N 2 2 248.361 2.740 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C(C)(C)C(F)F ZINC000850438516 588546553 /nfs/dbraw/zinc/54/65/53/588546553.db2.gz GRJCXVDVAMLRJZ-MNOVXSKESA-N 2 2 248.361 2.740 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000863567823 589299845 /nfs/dbraw/zinc/29/98/45/589299845.db2.gz GZYWAIUXRQPQLK-GFCCVEGCSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000863567823 589299846 /nfs/dbraw/zinc/29/98/46/589299846.db2.gz GZYWAIUXRQPQLK-GFCCVEGCSA-N 2 2 234.387 2.763 20 0 BFADLP Cc1cc(-c2ccc(C[NH+](C)C)cc2)c[nH+]c1N ZINC000863691590 589310979 /nfs/dbraw/zinc/31/09/79/589310979.db2.gz HQJIXHVKUUFNJH-UHFFFAOYSA-N 2 2 241.338 2.701 20 0 BFADLP C[C@H]1CC[C@@](C)(C[NH2+]Cc2c[nH+]c[nH]2)C1(C)C ZINC000864050100 589333598 /nfs/dbraw/zinc/33/35/98/589333598.db2.gz UWQVERAJSCTBRA-FZMZJTMJSA-N 2 2 235.375 2.962 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000866243041 589482324 /nfs/dbraw/zinc/48/23/24/589482324.db2.gz VQOKFMDLDRUXSU-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000866243041 589482325 /nfs/dbraw/zinc/48/23/25/589482325.db2.gz VQOKFMDLDRUXSU-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1C ZINC000866723003 589515468 /nfs/dbraw/zinc/51/54/68/589515468.db2.gz DUYCJRPXJHABGF-HZPDHXFCSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1C ZINC000866723003 589515470 /nfs/dbraw/zinc/51/54/70/589515470.db2.gz DUYCJRPXJHABGF-HZPDHXFCSA-N 2 2 244.382 2.630 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725059 589516347 /nfs/dbraw/zinc/51/63/47/589516347.db2.gz PFODQAZOTLHWPF-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866725059 589516348 /nfs/dbraw/zinc/51/63/48/589516348.db2.gz PFODQAZOTLHWPF-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)(C[NH2+]C1CCCC1)[NH+]1CCCCC1 ZINC000121938150 589541022 /nfs/dbraw/zinc/54/10/22/589541022.db2.gz BCGYLQWWYSRETH-UHFFFAOYSA-N 2 2 224.392 2.783 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC000123570549 589755017 /nfs/dbraw/zinc/75/50/17/589755017.db2.gz OMKAGPQAVFKJNU-UHFFFAOYSA-N 2 2 244.338 2.537 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC000123570549 589755019 /nfs/dbraw/zinc/75/50/19/589755019.db2.gz OMKAGPQAVFKJNU-UHFFFAOYSA-N 2 2 244.338 2.537 20 0 BFADLP Cc1cc(C)c(CO[NH+]=C(N)[C@@H]2C[C@H]2C)c(C)[nH+]1 ZINC000871759185 589807526 /nfs/dbraw/zinc/80/75/26/589807526.db2.gz FSVNQBLEWDBZQW-BXKDBHETSA-N 2 2 247.342 2.661 20 0 BFADLP Cc1cc(C)c(CO[NH+]=C(N)[C@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000871759187 589807555 /nfs/dbraw/zinc/80/75/55/589807555.db2.gz FSVNQBLEWDBZQW-CABZTGNLSA-N 2 2 247.342 2.661 20 0 BFADLP Cc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c(C)c1 ZINC000873229009 590000336 /nfs/dbraw/zinc/00/03/36/590000336.db2.gz NLJHIMUPZMIFIX-HZPDHXFCSA-N 2 2 244.382 2.678 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1cccnc1 ZINC000873234013 590003235 /nfs/dbraw/zinc/00/32/35/590003235.db2.gz BFJIPTPCAMZEKM-JSGCOSHPSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccncc1 ZINC000873238266 590005969 /nfs/dbraw/zinc/00/59/69/590005969.db2.gz YVEJZAHYBYAVNZ-GXTWGEPZSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C ZINC000873292948 590023069 /nfs/dbraw/zinc/02/30/69/590023069.db2.gz GVMXSVRPZMIYIQ-IUODEOHRSA-N 2 2 246.398 2.725 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C)CC1 ZINC000019959630 590055606 /nfs/dbraw/zinc/05/56/06/590055606.db2.gz OWPFIDWQCVWXSJ-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C)CC1 ZINC000019959630 590055609 /nfs/dbraw/zinc/05/56/09/590055609.db2.gz OWPFIDWQCVWXSJ-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000020125923 590076191 /nfs/dbraw/zinc/07/61/91/590076191.db2.gz IUOKPYMHUCDHQP-GFCCVEGCSA-N 2 2 214.397 2.741 20 0 BFADLP CCCCC[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000020126000 590076833 /nfs/dbraw/zinc/07/68/33/590076833.db2.gz YCCOQASMOLANIA-LBPRGKRZSA-N 2 2 214.397 2.885 20 0 BFADLP CC1=C(C)C[C@@H]([C@H](C)[NH2+]CC[NH+](C)C)CC1 ZINC000877462111 590328813 /nfs/dbraw/zinc/32/88/13/590328813.db2.gz KQMOBWATSBKDIJ-KBPBESRZSA-N 2 2 224.392 2.663 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1CC(C)(C)C1 ZINC000877718094 590399656 /nfs/dbraw/zinc/39/96/56/590399656.db2.gz WZWNQPTXOHWZRC-UHFFFAOYSA-N 2 2 218.344 2.664 20 0 BFADLP c1cn(CC(Cn2cc[nH+]c2)C2CCCC2)c[nH+]1 ZINC000878206817 590524359 /nfs/dbraw/zinc/52/43/59/590524359.db2.gz BWSPOHUZWNOQSC-UHFFFAOYSA-N 2 2 244.342 2.586 20 0 BFADLP C=C/C=C/CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000878239270 590528773 /nfs/dbraw/zinc/52/87/73/590528773.db2.gz DIKNNPWWMPZLQT-VBROQKIQSA-N 2 2 222.376 2.581 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000878239270 590528776 /nfs/dbraw/zinc/52/87/76/590528776.db2.gz DIKNNPWWMPZLQT-VBROQKIQSA-N 2 2 222.376 2.581 20 0 BFADLP C[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CC[N@@H+]1C ZINC000127812121 590789892 /nfs/dbraw/zinc/78/98/92/590789892.db2.gz WSJUHDGIMRSYFA-TZMCWYRMSA-N 2 2 247.386 2.647 20 0 BFADLP C[C@@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CC[N@H+]1C ZINC000127812121 590789895 /nfs/dbraw/zinc/78/98/95/590789895.db2.gz WSJUHDGIMRSYFA-TZMCWYRMSA-N 2 2 247.386 2.647 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880130272 590932188 /nfs/dbraw/zinc/93/21/88/590932188.db2.gz NZIGJEGDFIAIRH-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880130272 590932190 /nfs/dbraw/zinc/93/21/90/590932190.db2.gz NZIGJEGDFIAIRH-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880130272 590932193 /nfs/dbraw/zinc/93/21/93/590932193.db2.gz NZIGJEGDFIAIRH-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880130272 590932194 /nfs/dbraw/zinc/93/21/94/590932194.db2.gz NZIGJEGDFIAIRH-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC000880133181 590934194 /nfs/dbraw/zinc/93/41/94/590934194.db2.gz ZXPGDKMUDOLWBO-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC000880133181 590934197 /nfs/dbraw/zinc/93/41/97/590934197.db2.gz ZXPGDKMUDOLWBO-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC000880133181 590934200 /nfs/dbraw/zinc/93/42/00/590934200.db2.gz ZXPGDKMUDOLWBO-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CCCCC1 ZINC000880133181 590934203 /nfs/dbraw/zinc/93/42/03/590934203.db2.gz ZXPGDKMUDOLWBO-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC000880136172 590937808 /nfs/dbraw/zinc/93/78/08/590937808.db2.gz HFZIGVWATHLNMP-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC000880136172 590937811 /nfs/dbraw/zinc/93/78/11/590937811.db2.gz HFZIGVWATHLNMP-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C ZINC000880136172 590937812 /nfs/dbraw/zinc/93/78/12/590937812.db2.gz HFZIGVWATHLNMP-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC(C)(C)C ZINC000880136172 590937815 /nfs/dbraw/zinc/93/78/15/590937815.db2.gz HFZIGVWATHLNMP-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC12CCC(CC1)C2 ZINC000880142317 590943084 /nfs/dbraw/zinc/94/30/84/590943084.db2.gz NABZDSOXNNJJPW-PWUWZPNHSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC12CCC(CC1)C2 ZINC000880142317 590943087 /nfs/dbraw/zinc/94/30/87/590943087.db2.gz NABZDSOXNNJJPW-PWUWZPNHSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC12CCC(CC1)C2 ZINC000880142317 590943089 /nfs/dbraw/zinc/94/30/89/590943089.db2.gz NABZDSOXNNJJPW-PWUWZPNHSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC12CCC(CC1)C2 ZINC000880142317 590943091 /nfs/dbraw/zinc/94/30/91/590943091.db2.gz NABZDSOXNNJJPW-PWUWZPNHSA-N 2 2 248.414 2.735 20 0 BFADLP FCCC[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568508 591098024 /nfs/dbraw/zinc/09/80/24/591098024.db2.gz ASQKGRQFFUFPBI-AWEZNQCLSA-N 2 2 247.317 2.574 20 0 BFADLP FCCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880568509 591098735 /nfs/dbraw/zinc/09/87/35/591098735.db2.gz ASQKGRQFFUFPBI-CQSZACIVSA-N 2 2 247.317 2.574 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000130537437 591481208 /nfs/dbraw/zinc/48/12/08/591481208.db2.gz GVSOCVUVCZBZBL-ZFWWWQNUSA-N 2 2 232.371 2.658 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000130537437 591481211 /nfs/dbraw/zinc/48/12/11/591481211.db2.gz GVSOCVUVCZBZBL-ZFWWWQNUSA-N 2 2 232.371 2.658 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000131029867 591542365 /nfs/dbraw/zinc/54/23/65/591542365.db2.gz WKHMHTKWWPJTSQ-CYBMUJFWSA-N 2 2 244.338 2.746 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC000131029867 591542369 /nfs/dbraw/zinc/54/23/69/591542369.db2.gz WKHMHTKWWPJTSQ-CYBMUJFWSA-N 2 2 244.338 2.746 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1coc2ccccc12 ZINC000131030097 591542509 /nfs/dbraw/zinc/54/25/09/591542509.db2.gz WKHMHTKWWPJTSQ-ZDUSSCGKSA-N 2 2 244.338 2.746 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1coc2ccccc12 ZINC000131030097 591542511 /nfs/dbraw/zinc/54/25/11/591542511.db2.gz WKHMHTKWWPJTSQ-ZDUSSCGKSA-N 2 2 244.338 2.746 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883193980 591569066 /nfs/dbraw/zinc/56/90/66/591569066.db2.gz KPGSFQLEZWJJRY-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883193980 591569069 /nfs/dbraw/zinc/56/90/69/591569069.db2.gz KPGSFQLEZWJJRY-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000883249745 591591113 /nfs/dbraw/zinc/59/11/13/591591113.db2.gz PLEMZVDLHUBOOS-GXTWGEPZSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC2)C[N@H+]1C1CC1 ZINC000883249745 591591117 /nfs/dbraw/zinc/59/11/17/591591117.db2.gz PLEMZVDLHUBOOS-GXTWGEPZSA-N 2 2 248.414 2.782 20 0 BFADLP C=C/C=C/CC[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000883261354 591598669 /nfs/dbraw/zinc/59/86/69/591598669.db2.gz ZEYVWKLOSXAMSR-SNAWJCMRSA-N 2 2 241.338 2.865 20 0 BFADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@@H](C)CCC=C(C)C ZINC000883354465 591625174 /nfs/dbraw/zinc/62/51/74/591625174.db2.gz VRBGKSDSLUJSQE-KBPBESRZSA-N 2 2 224.392 2.805 20 0 BFADLP CC[N@H+]1CC[C@H]1C[NH2+][C@@H](C)CCC=C(C)C ZINC000883354465 591625179 /nfs/dbraw/zinc/62/51/79/591625179.db2.gz VRBGKSDSLUJSQE-KBPBESRZSA-N 2 2 224.392 2.805 20 0 BFADLP C=C/C=C\CC[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000883425364 591659371 /nfs/dbraw/zinc/65/93/71/591659371.db2.gz SLMCWJHMPAYTCH-ARJAWSKDSA-N 2 2 232.327 2.568 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885937665 592110676 /nfs/dbraw/zinc/11/06/76/592110676.db2.gz GJAQGXLDBJYQKM-YFCVBGDOSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885937665 592110677 /nfs/dbraw/zinc/11/06/77/592110677.db2.gz GJAQGXLDBJYQKM-YFCVBGDOSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1cccc(F)c1 ZINC000885943724 592112029 /nfs/dbraw/zinc/11/20/29/592112029.db2.gz AVCVMBMUPVRPAA-YFCVBGDOSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1cccc(F)c1 ZINC000885943724 592112032 /nfs/dbraw/zinc/11/20/32/592112032.db2.gz AVCVMBMUPVRPAA-YFCVBGDOSA-N 2 2 248.345 2.523 20 0 BFADLP Cc1coc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000885951229 592114249 /nfs/dbraw/zinc/11/42/49/592114249.db2.gz CDGMSQPFHDYPMQ-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CC[C@@H]1C[C@H]1C1CC1 ZINC000886093531 592147973 /nfs/dbraw/zinc/14/79/73/592147973.db2.gz BLOGYRBUDLWEEB-CABCVRRESA-N 2 2 247.386 2.641 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CC[C@@H]1C[C@H]1C1CC1 ZINC000886093531 592147974 /nfs/dbraw/zinc/14/79/74/592147974.db2.gz BLOGYRBUDLWEEB-CABCVRRESA-N 2 2 247.386 2.641 20 0 BFADLP CC[N@@H+]1CC[C@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC000886188155 592172787 /nfs/dbraw/zinc/17/27/87/592172787.db2.gz LZBZQQFROMBGMO-VOKGJARPSA-N 2 2 248.345 2.523 20 0 BFADLP CC[N@H+]1CC[C@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC000886188155 592172789 /nfs/dbraw/zinc/17/27/89/592172789.db2.gz LZBZQQFROMBGMO-VOKGJARPSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315419 592206904 /nfs/dbraw/zinc/20/69/04/592206904.db2.gz LNFODWJIKPRZMW-FXUDXRNXSA-N 2 2 248.414 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315419 592206905 /nfs/dbraw/zinc/20/69/05/592206905.db2.gz LNFODWJIKPRZMW-FXUDXRNXSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315419 592206906 /nfs/dbraw/zinc/20/69/06/592206906.db2.gz LNFODWJIKPRZMW-FXUDXRNXSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315419 592206907 /nfs/dbraw/zinc/20/69/07/592206907.db2.gz LNFODWJIKPRZMW-FXUDXRNXSA-N 2 2 248.414 2.591 20 0 BFADLP C[N@H+](C[C@@H]1CCC[NH2+]1)[C@H]1CCCc2ccccc21 ZINC000300144925 592503209 /nfs/dbraw/zinc/50/32/09/592503209.db2.gz YCMKGYZBLRMVMM-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@@H+](C[C@@H]1CCC[NH2+]1)[C@H]1CCCc2ccccc21 ZINC000300144925 592503210 /nfs/dbraw/zinc/50/32/10/592503210.db2.gz YCMKGYZBLRMVMM-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]([NH3+])[C@@H]([NH2+]CC1=CCCC1)c1ccccc1 ZINC000925704181 634384142 /nfs/dbraw/zinc/38/41/42/634384142.db2.gz BVZHUFSXOZJFTG-IUODEOHRSA-N 2 2 230.355 2.775 20 0 BFADLP C[C@H]([NH3+])[C@@H]([NH2+]CCc1ccoc1)c1ccccc1 ZINC000925705313 634388349 /nfs/dbraw/zinc/38/83/49/634388349.db2.gz ADOBIYMZDKBYTF-SWLSCSKDSA-N 2 2 244.338 2.500 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[NH+](C)C ZINC000251085707 635702850 /nfs/dbraw/zinc/70/28/50/635702850.db2.gz JCMJTGFLOVZTOV-CBBWQLFWSA-N 2 2 238.419 2.885 20 0 BFADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000926550194 632482254 /nfs/dbraw/zinc/48/22/54/632482254.db2.gz MJPHSSUWBVPWMN-YHUYYLMFSA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000926550194 632482258 /nfs/dbraw/zinc/48/22/58/632482258.db2.gz MJPHSSUWBVPWMN-YHUYYLMFSA-N 2 2 248.414 2.639 20 0 BFADLP CCCSC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000892413944 632654052 /nfs/dbraw/zinc/65/40/52/632654052.db2.gz NJHJUENMFKDVDE-CHWSQXEVSA-N 2 2 244.448 2.592 20 0 BFADLP CCCSC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000892413944 632654054 /nfs/dbraw/zinc/65/40/54/632654054.db2.gz NJHJUENMFKDVDE-CHWSQXEVSA-N 2 2 244.448 2.592 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[NH+]1CCCCC1 ZINC000310087337 632698938 /nfs/dbraw/zinc/69/89/38/632698938.db2.gz BGZJGCWKPLMMJF-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP CCCCCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000310674741 632861439 /nfs/dbraw/zinc/86/14/39/632861439.db2.gz PCGJNHYNBCUJGL-JKSUJKDBSA-N 2 2 246.398 2.993 20 0 BFADLP CCCCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000310674741 632861443 /nfs/dbraw/zinc/86/14/43/632861443.db2.gz PCGJNHYNBCUJGL-JKSUJKDBSA-N 2 2 246.398 2.993 20 0 BFADLP CC1CC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926735897 632920719 /nfs/dbraw/zinc/92/07/19/632920719.db2.gz CDLGCVDLNKOANP-CVSAEHQPSA-N 2 2 236.403 2.639 20 0 BFADLP CC1CC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926735897 632920726 /nfs/dbraw/zinc/92/07/26/632920726.db2.gz CDLGCVDLNKOANP-CVSAEHQPSA-N 2 2 236.403 2.639 20 0 BFADLP C1=CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926744108 632941923 /nfs/dbraw/zinc/94/19/23/632941923.db2.gz LGHBRCSNIZQHFM-GJZGRUSLSA-N 2 2 234.387 2.559 20 0 BFADLP C1=CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926744108 632941930 /nfs/dbraw/zinc/94/19/30/632941930.db2.gz LGHBRCSNIZQHFM-GJZGRUSLSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC1(C)C)[NH+]1CCCCC1 ZINC000309449411 633083453 /nfs/dbraw/zinc/08/34/53/633083453.db2.gz QKXUSJDTEYROFL-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C1=C[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926838003 633191888 /nfs/dbraw/zinc/19/18/88/633191888.db2.gz QRBJEMFFZBMFGX-RRFJBIMHSA-N 2 2 234.387 2.559 20 0 BFADLP C1=C[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926838003 633191892 /nfs/dbraw/zinc/19/18/92/633191892.db2.gz QRBJEMFFZBMFGX-RRFJBIMHSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C(C)(C)C ZINC000309725287 633232430 /nfs/dbraw/zinc/23/24/30/633232430.db2.gz CYJXOUQGONYUBM-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C)[NH+]1CCCCC1 ZINC000309725285 633232491 /nfs/dbraw/zinc/23/24/91/633232491.db2.gz CYJXOUQGONYUBM-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000925672523 634258763 /nfs/dbraw/zinc/25/87/63/634258763.db2.gz JLYUQRYXLVRRGM-YUTCNCBUSA-N 2 2 232.371 2.853 20 0 BFADLP C[C@@H]([NH3+])[C@H]([NH2+]CCC(C)(F)F)c1ccccc1 ZINC000925679539 634275730 /nfs/dbraw/zinc/27/57/30/634275730.db2.gz JJHSTJWOSRIGSW-PWSUYJOCSA-N 2 2 242.313 2.710 20 0 BFADLP C[C@H]([NH3+])[C@H]([NH2+]CCC(C)(F)F)c1ccccc1 ZINC000925679538 634277094 /nfs/dbraw/zinc/27/70/94/634277094.db2.gz JJHSTJWOSRIGSW-JQWIXIFHSA-N 2 2 242.313 2.710 20 0 BFADLP C[C@@H]1CC[C@@H](C)C1[NH2+]CCCCn1cc[nH+]c1 ZINC000924733675 637044095 /nfs/dbraw/zinc/04/40/95/637044095.db2.gz VKOIMNHVCYQGFD-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP Cc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CC2 ZINC000924790387 637366303 /nfs/dbraw/zinc/36/63/03/637366303.db2.gz FUUOGIJLQABCPH-GJZGRUSLSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CC2 ZINC000924790387 637366306 /nfs/dbraw/zinc/36/63/06/637366306.db2.gz FUUOGIJLQABCPH-GJZGRUSLSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cc2cc(C[NH2+]CC3([NH3+])CC3)oc2cc1C ZINC000904449509 637414667 /nfs/dbraw/zinc/41/46/67/637414667.db2.gz JNLVHNWJZYUTQE-UHFFFAOYSA-N 2 2 244.338 2.631 20 0 BFADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCCC1 ZINC000037156223 711480661 /nfs/dbraw/zinc/48/06/61/711480661.db2.gz DXNQRWYTOXHHDB-CYBMUJFWSA-N 2 2 235.375 2.830 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCCC3(CC3)CC2)c(C)[nH+]1 ZINC000931335791 640162101 /nfs/dbraw/zinc/16/21/01/640162101.db2.gz XICRSCQPDSIGAP-UHFFFAOYSA-N 2 2 233.359 2.793 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718659 640335826 /nfs/dbraw/zinc/33/58/26/640335826.db2.gz BMNNABQWKGQPPF-MJBXVCDLSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718659 640335830 /nfs/dbraw/zinc/33/58/30/640335830.db2.gz BMNNABQWKGQPPF-MJBXVCDLSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931718659 640335834 /nfs/dbraw/zinc/33/58/34/640335834.db2.gz BMNNABQWKGQPPF-MJBXVCDLSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931718659 640335839 /nfs/dbraw/zinc/33/58/39/640335839.db2.gz BMNNABQWKGQPPF-MJBXVCDLSA-N 2 2 224.392 2.590 20 0 BFADLP C[C@H](C[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC000044992757 640481387 /nfs/dbraw/zinc/48/13/87/640481387.db2.gz RCADJKQQBXXIAB-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP c1cn(CCC[N@H+](Cc2ccoc2)C2CC2)c[nH+]1 ZINC000934001898 640804279 /nfs/dbraw/zinc/80/42/79/640804279.db2.gz KLTHFPKWMFXLIR-UHFFFAOYSA-N 2 2 245.326 2.531 20 0 BFADLP c1cn(CCC[N@@H+](Cc2ccoc2)C2CC2)c[nH+]1 ZINC000934001898 640804283 /nfs/dbraw/zinc/80/42/83/640804283.db2.gz KLTHFPKWMFXLIR-UHFFFAOYSA-N 2 2 245.326 2.531 20 0 BFADLP CCCCC1([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000934205558 641101032 /nfs/dbraw/zinc/10/10/32/641101032.db2.gz INXASDUSWAOQJA-UHFFFAOYSA-N 2 2 221.348 2.586 20 0 BFADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598813 641192772 /nfs/dbraw/zinc/19/27/72/641192772.db2.gz JYMBTVHBFZLSNX-HNNXBMFYSA-N 2 2 246.398 2.864 20 0 BFADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000050598813 641192778 /nfs/dbraw/zinc/19/27/78/641192778.db2.gz JYMBTVHBFZLSNX-HNNXBMFYSA-N 2 2 246.398 2.864 20 0 BFADLP c1cn(CCC[NH2+]C2(C3CCCCC3)CC2)c[nH+]1 ZINC000934786693 641269155 /nfs/dbraw/zinc/26/91/55/641269155.db2.gz ASSKPPCBSXKHRD-UHFFFAOYSA-N 2 2 247.386 2.976 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771664 641535921 /nfs/dbraw/zinc/53/59/21/641535921.db2.gz RTSPSISWWCUFSR-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154507455 642116681 /nfs/dbraw/zinc/11/66/81/642116681.db2.gz LFQBIONOAZLOOT-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154507455 642116685 /nfs/dbraw/zinc/11/66/85/642116685.db2.gz LFQBIONOAZLOOT-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CC(C)([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000305044273 642634560 /nfs/dbraw/zinc/63/45/60/642634560.db2.gz SYJYAGLFYMEREK-UHFFFAOYSA-N 2 2 232.371 2.607 20 0 BFADLP CC[N@@H+](Cc1ccccc1C)C[C@H]1CCC[NH2+]1 ZINC000233468133 642672851 /nfs/dbraw/zinc/67/28/51/642672851.db2.gz YNMSOYGMENYLGN-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CC[N@H+](Cc1ccccc1C)C[C@H]1CCC[NH2+]1 ZINC000233468133 642672857 /nfs/dbraw/zinc/67/28/57/642672857.db2.gz YNMSOYGMENYLGN-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CCc1ccccc1C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420412136 642724662 /nfs/dbraw/zinc/72/46/62/642724662.db2.gz YIWBTQSSBOFDKY-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1ccccc1C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000420412136 642724667 /nfs/dbraw/zinc/72/46/67/642724667.db2.gz YIWBTQSSBOFDKY-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP CS[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000921653717 643705767 /nfs/dbraw/zinc/70/57/67/643705767.db2.gz XFYQDQLSRBNAIX-CHWSQXEVSA-N 2 2 244.448 2.590 20 0 BFADLP CS[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000921653717 643705768 /nfs/dbraw/zinc/70/57/68/643705768.db2.gz XFYQDQLSRBNAIX-CHWSQXEVSA-N 2 2 244.448 2.590 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C(C)C ZINC000251611699 644812225 /nfs/dbraw/zinc/81/22/25/644812225.db2.gz DPBIBCAARHGVLF-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C(C)C ZINC000251611699 644812227 /nfs/dbraw/zinc/81/22/27/644812227.db2.gz DPBIBCAARHGVLF-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000800478946 644835066 /nfs/dbraw/zinc/83/50/66/644835066.db2.gz AVNXHAAKLWEVAW-TUVASFSCSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000800478946 644835073 /nfs/dbraw/zinc/83/50/73/644835073.db2.gz AVNXHAAKLWEVAW-TUVASFSCSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC12CCC2)[NH+]1CCCCC1 ZINC000800476429 644835830 /nfs/dbraw/zinc/83/58/30/644835830.db2.gz KQLZNOFZBJIPDB-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925485229 645200383 /nfs/dbraw/zinc/20/03/83/645200383.db2.gz MBDHIYYBUBVBIC-CBBWQLFWSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925485229 645200392 /nfs/dbraw/zinc/20/03/92/645200392.db2.gz MBDHIYYBUBVBIC-CBBWQLFWSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925485231 645201201 /nfs/dbraw/zinc/20/12/01/645201201.db2.gz MBDHIYYBUBVBIC-QPSCCSFWSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925485231 645201213 /nfs/dbraw/zinc/20/12/13/645201213.db2.gz MBDHIYYBUBVBIC-QPSCCSFWSA-N 2 2 236.403 2.782 20 0 BFADLP CC/C=C\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926516843 645249127 /nfs/dbraw/zinc/24/91/27/645249127.db2.gz OZFXCNAHRFYENF-BDSSXFGHSA-N 2 2 222.376 2.559 20 0 BFADLP CC/C=C\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926516843 645249139 /nfs/dbraw/zinc/24/91/39/645249139.db2.gz OZFXCNAHRFYENF-BDSSXFGHSA-N 2 2 222.376 2.559 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926521241 645253183 /nfs/dbraw/zinc/25/31/83/645253183.db2.gz MYVLATABWBJAEC-CBBWQLFWSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926521241 645253194 /nfs/dbraw/zinc/25/31/94/645253194.db2.gz MYVLATABWBJAEC-CBBWQLFWSA-N 2 2 236.403 2.639 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H]1C1CCC1 ZINC000926616598 645318732 /nfs/dbraw/zinc/31/87/32/645318732.db2.gz UKJATQLHBWJTRR-CAOSSQGBSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H]1C1CCC1 ZINC000926616598 645318742 /nfs/dbraw/zinc/31/87/42/645318742.db2.gz UKJATQLHBWJTRR-CAOSSQGBSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCC1 ZINC000926648208 645333508 /nfs/dbraw/zinc/33/35/08/645333508.db2.gz JCGSOIWDLLHUDD-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C1CC1([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCC1 ZINC000926648208 645333515 /nfs/dbraw/zinc/33/35/15/645333515.db2.gz JCGSOIWDLLHUDD-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926883509 645473405 /nfs/dbraw/zinc/47/34/05/645473405.db2.gz APDKWVCJIGXSJV-BKQXGZDCSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926883509 645473410 /nfs/dbraw/zinc/47/34/10/645473410.db2.gz APDKWVCJIGXSJV-BKQXGZDCSA-N 2 2 248.414 2.637 20 0 BFADLP C1=CCC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926949570 645495018 /nfs/dbraw/zinc/49/50/18/645495018.db2.gz KHJZJHOGHPMKOY-HZPDHXFCSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CCC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926949570 645495027 /nfs/dbraw/zinc/49/50/27/645495027.db2.gz KHJZJHOGHPMKOY-HZPDHXFCSA-N 2 2 248.414 2.949 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000925489972 645535602 /nfs/dbraw/zinc/53/56/02/645535602.db2.gz DBQCHTGZIIRGJE-HUUCEWRRSA-N 2 2 244.382 2.794 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000924558726 646069593 /nfs/dbraw/zinc/06/95/93/646069593.db2.gz DJBQVNFKQKOSPG-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000924558726 646069598 /nfs/dbraw/zinc/06/95/98/646069598.db2.gz DJBQVNFKQKOSPG-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+](CC[NH2+]C1CC2(C1)CCCC2)C1CC1 ZINC000924905958 646130706 /nfs/dbraw/zinc/13/07/06/646130706.db2.gz XKLJLILRUVUYQZ-UHFFFAOYSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+](CC[NH2+]C1CC2(C1)CCCC2)C1CC1 ZINC000924905958 646130710 /nfs/dbraw/zinc/13/07/10/646130710.db2.gz XKLJLILRUVUYQZ-UHFFFAOYSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H](C[NH2+]C1CC2(C1)CCCC2)[N@H+](C)C1CC1 ZINC000924965959 646144682 /nfs/dbraw/zinc/14/46/82/646144682.db2.gz BVCJDBZSJLVEKZ-GFCCVEGCSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+]C1CC2(C1)CCCC2)[N@@H+](C)C1CC1 ZINC000924965959 646144687 /nfs/dbraw/zinc/14/46/87/646144687.db2.gz BVCJDBZSJLVEKZ-GFCCVEGCSA-N 2 2 236.403 2.782 20 0 BFADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(C2CC2)CC1 ZINC000925614820 646362658 /nfs/dbraw/zinc/36/26/58/646362658.db2.gz WXQAVDVNUKOOSL-GJZGRUSLSA-N 2 2 248.414 2.783 20 0 BFADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1(C2CC2)CC1 ZINC000925614820 646362659 /nfs/dbraw/zinc/36/26/59/646362659.db2.gz WXQAVDVNUKOOSL-GJZGRUSLSA-N 2 2 248.414 2.783 20 0 BFADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1(C2CC2)CC1 ZINC000925614822 646362707 /nfs/dbraw/zinc/36/27/07/646362707.db2.gz WXQAVDVNUKOOSL-HUUCEWRRSA-N 2 2 248.414 2.783 20 0 BFADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1(C2CC2)CC1 ZINC000925614822 646362713 /nfs/dbraw/zinc/36/27/13/646362713.db2.gz WXQAVDVNUKOOSL-HUUCEWRRSA-N 2 2 248.414 2.783 20 0 BFADLP Cc1cc(N[C@H]2CCCCC[C@@H]2[NH3+])c[nH+]c1C ZINC000925769332 646470413 /nfs/dbraw/zinc/47/04/13/646470413.db2.gz OUPAQSHQMMZAFV-KBPBESRZSA-N 2 2 233.359 2.770 20 0 BFADLP CC[C@H](Nc1c[nH+]c(C)c(C)c1)[C@@H]1CCC[NH2+]1 ZINC000925769787 646471736 /nfs/dbraw/zinc/47/17/36/646471736.db2.gz QSYLNGNVEIBIKS-KBPBESRZSA-N 2 2 233.359 2.641 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1(C)CC1 ZINC000925778113 646475352 /nfs/dbraw/zinc/47/53/52/646475352.db2.gz RJQWCHGRKLNJEY-MELADBBJSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1(C)CC1 ZINC000925778113 646475356 /nfs/dbraw/zinc/47/53/56/646475356.db2.gz RJQWCHGRKLNJEY-MELADBBJSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(C)CC1 ZINC000925778115 646476190 /nfs/dbraw/zinc/47/61/90/646476190.db2.gz RJQWCHGRKLNJEY-MJBXVCDLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1(C)CC1 ZINC000925778115 646476192 /nfs/dbraw/zinc/47/61/92/646476192.db2.gz RJQWCHGRKLNJEY-MJBXVCDLSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000925786023 646481430 /nfs/dbraw/zinc/48/14/30/646481430.db2.gz NCJGEYWXOONHJQ-UMVBOHGHSA-N 2 2 232.371 2.562 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926347445 646621730 /nfs/dbraw/zinc/62/17/30/646621730.db2.gz MBDHIYYBUBVBIC-TUVASFSCSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926347445 646621731 /nfs/dbraw/zinc/62/17/31/646621731.db2.gz MBDHIYYBUBVBIC-TUVASFSCSA-N 2 2 236.403 2.782 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CC3(C1)CCCC3)C2 ZINC000926450771 646642263 /nfs/dbraw/zinc/64/22/63/646642263.db2.gz QTUCMXIGOXFBNG-NSHDSACASA-N 2 2 245.370 2.579 20 0 BFADLP CC[C@H]([NH2+]CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037712885 712745130 /nfs/dbraw/zinc/74/51/30/712745130.db2.gz HFRJGYHDHNBODZ-NSHDSACASA-N 2 2 247.169 2.993 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723573217 710728618 /nfs/dbraw/zinc/72/86/18/710728618.db2.gz GVZPYILPAVCFFP-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723573217 710728621 /nfs/dbraw/zinc/72/86/21/710728621.db2.gz GVZPYILPAVCFFP-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723573218 710728933 /nfs/dbraw/zinc/72/89/33/710728933.db2.gz GVZPYILPAVCFFP-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723573218 710728936 /nfs/dbraw/zinc/72/89/36/710728936.db2.gz GVZPYILPAVCFFP-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CCC1)[NH+]1CCCCC1 ZINC000390124931 711105906 /nfs/dbraw/zinc/10/59/06/711105906.db2.gz HJOLGFKYJDLDJY-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1scc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1C ZINC000399822240 711434936 /nfs/dbraw/zinc/43/49/36/711434936.db2.gz FRMOQVNTISSCID-MFKMUULPSA-N 2 2 238.400 2.595 20 0 BFADLP Cc1scc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1C ZINC000399822237 711436769 /nfs/dbraw/zinc/43/67/69/711436769.db2.gz FRMOQVNTISSCID-GWCFXTLKSA-N 2 2 238.400 2.595 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394249274 711188212 /nfs/dbraw/zinc/18/82/12/711188212.db2.gz ZEAKALWQIBTEJW-NEXFUWMNSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000394249274 711188214 /nfs/dbraw/zinc/18/82/14/711188214.db2.gz ZEAKALWQIBTEJW-NEXFUWMNSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCC2CC=CC2)C[N@@H+]1C1CC1 ZINC000724202204 711569528 /nfs/dbraw/zinc/56/95/28/711569528.db2.gz LFIMBDPHEKEHRT-TZMCWYRMSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCC2CC=CC2)C[N@H+]1C1CC1 ZINC000724202204 711569529 /nfs/dbraw/zinc/56/95/29/711569529.db2.gz LFIMBDPHEKEHRT-TZMCWYRMSA-N 2 2 234.387 2.558 20 0 BFADLP Cc1[nH]c(C[NH2+]C(C(C)C)C(C)C)c(C)[nH+]1 ZINC000724678228 711607613 /nfs/dbraw/zinc/60/76/13/711607613.db2.gz XOPRAFAJMYTCAK-UHFFFAOYSA-N 2 2 223.364 2.797 20 0 BFADLP CC[C@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)[C@H]1CC1(C)C ZINC000724683175 711608884 /nfs/dbraw/zinc/60/88/84/711608884.db2.gz IVBOFPJIENXMAO-NEPJUHHUSA-N 2 2 235.375 2.941 20 0 BFADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000334979879 711719454 /nfs/dbraw/zinc/71/94/54/711719454.db2.gz JYJFXHJVQAMMCI-GDBMZVCRSA-N 2 2 244.382 2.884 20 0 BFADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000334979879 711719455 /nfs/dbraw/zinc/71/94/55/711719455.db2.gz JYJFXHJVQAMMCI-GDBMZVCRSA-N 2 2 244.382 2.884 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000925788071 711752064 /nfs/dbraw/zinc/75/20/64/711752064.db2.gz XYNIPJLFNUWPKA-SHUKQUCYSA-N 2 2 244.382 2.823 20 0 BFADLP c1cn(CCCC[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)c[nH+]1 ZINC000711170795 712288084 /nfs/dbraw/zinc/28/80/84/712288084.db2.gz WIGIGPTYAVTMBV-FICVDOATSA-N 2 2 247.386 2.832 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000712695168 712448357 /nfs/dbraw/zinc/44/83/57/712448357.db2.gz QHCDCVIZZJLAGQ-MEWXFMAXSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000712695168 712448358 /nfs/dbraw/zinc/44/83/58/712448358.db2.gz QHCDCVIZZJLAGQ-MEWXFMAXSA-N 2 2 248.414 2.637 20 0 BFADLP CC[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037712886 712744769 /nfs/dbraw/zinc/74/47/69/712744769.db2.gz HFRJGYHDHNBODZ-LLVKDONJSA-N 2 2 247.169 2.993 20 0 BFADLP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000259038648 958818750 /nfs/dbraw/zinc/81/87/50/958818750.db2.gz IWRSBMOPGJBMHC-UHFFFAOYSA-N 2 2 245.153 2.574 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)s1 ZINC001236199996 966308295 /nfs/dbraw/zinc/30/82/95/966308295.db2.gz HAXKXNKWDZUWBE-ZDUSSCGKSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)s1 ZINC001236199996 966308305 /nfs/dbraw/zinc/30/83/05/966308305.db2.gz HAXKXNKWDZUWBE-ZDUSSCGKSA-N 2 2 238.400 2.630 20 0 BFADLP CCC[N@H+](Cc1c[nH+]ccc1N)[C@@H](C)CC ZINC001209727077 969579793 /nfs/dbraw/zinc/57/97/93/969579793.db2.gz JFTNOHIKYDQHKB-NSHDSACASA-N 2 2 221.348 2.505 20 0 BFADLP CCC[N@@H+](Cc1c[nH+]ccc1N)[C@@H](C)CC ZINC001209727077 969579797 /nfs/dbraw/zinc/57/97/97/969579797.db2.gz JFTNOHIKYDQHKB-NSHDSACASA-N 2 2 221.348 2.505 20 0 BFADLP CCCC[NH+](CCCC)Cc1c[nH+]ccc1N ZINC001209731989 969591433 /nfs/dbraw/zinc/59/14/33/969591433.db2.gz VWDFURFNZRNGRO-UHFFFAOYSA-N 2 2 235.375 2.896 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000070748573 978890422 /nfs/dbraw/zinc/89/04/22/978890422.db2.gz VSSWKVGYIYQVFP-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)C1 ZINC000070748573 978890424 /nfs/dbraw/zinc/89/04/24/978890424.db2.gz VSSWKVGYIYQVFP-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CC[N@@H+]1CC[C@@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001235067300 978966640 /nfs/dbraw/zinc/96/66/40/978966640.db2.gz YGKBFULSGNIXPJ-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](CC[N@H+]1CC[C@@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001235067300 978966644 /nfs/dbraw/zinc/96/66/44/978966644.db2.gz YGKBFULSGNIXPJ-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H](C)CCC(C)C)C2 ZINC001256363162 970764844 /nfs/dbraw/zinc/76/48/44/970764844.db2.gz HPAHVHKPUDIFGQ-GFCCVEGCSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@H](C)CCC(C)C)C2 ZINC001256363162 970764854 /nfs/dbraw/zinc/76/48/54/970764854.db2.gz HPAHVHKPUDIFGQ-GFCCVEGCSA-N 2 2 235.375 2.832 20 0 BFADLP CNc1cc(Nc2cc[nH+]c(SC)c2)cc[nH+]1 ZINC001216333570 971043442 /nfs/dbraw/zinc/04/34/42/971043442.db2.gz GMCWATSBFCYUCD-UHFFFAOYSA-N 2 2 246.339 2.984 20 0 BFADLP CNc1cc(Nc2c[nH+]c(C)cc2C)cc[nH+]1 ZINC001216333287 971045196 /nfs/dbraw/zinc/04/51/96/971045196.db2.gz OYNCOZNEDQQYMZ-UHFFFAOYSA-N 2 2 228.299 2.879 20 0 BFADLP CCCC[C@@H](CC)n1c[nH+]c(C)c1CC[NH3+] ZINC001257410066 971303348 /nfs/dbraw/zinc/30/33/48/971303348.db2.gz PYMDCFRKJKMQRN-GFCCVEGCSA-N 2 2 223.364 2.834 20 0 BFADLP CCCC[C@H](CC)[N@H+](C)C1CC[NH+](C)CC1 ZINC001257417456 971311712 /nfs/dbraw/zinc/31/17/12/971311712.db2.gz CZOUZRSZMJWAIG-ZDUSSCGKSA-N 2 2 226.408 2.981 20 0 BFADLP CCCC[C@H](CC)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001257417456 971311717 /nfs/dbraw/zinc/31/17/17/971311717.db2.gz CZOUZRSZMJWAIG-ZDUSSCGKSA-N 2 2 226.408 2.981 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405830779 971312369 /nfs/dbraw/zinc/31/23/69/971312369.db2.gz RPSFPXXMLLWTKF-INIZCTEOSA-N 2 2 246.398 2.808 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405830779 971312381 /nfs/dbraw/zinc/31/23/81/971312381.db2.gz RPSFPXXMLLWTKF-INIZCTEOSA-N 2 2 246.398 2.808 20 0 BFADLP CCCC[C@H](CC)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001257426073 971331084 /nfs/dbraw/zinc/33/10/84/971331084.db2.gz GDGSYQZXBZQUOY-KKUMJFAQSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001257426073 971331089 /nfs/dbraw/zinc/33/10/89/971331089.db2.gz GDGSYQZXBZQUOY-KKUMJFAQSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001257426073 971331099 /nfs/dbraw/zinc/33/10/99/971331099.db2.gz GDGSYQZXBZQUOY-KKUMJFAQSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001257426073 971331104 /nfs/dbraw/zinc/33/11/04/971331104.db2.gz GDGSYQZXBZQUOY-KKUMJFAQSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246085130 972138535 /nfs/dbraw/zinc/13/85/35/972138535.db2.gz GVAQXIIFFQTPMZ-FQUUOJAGSA-N 2 2 244.398 2.737 20 0 BFADLP CCCC[C@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246097384 972149256 /nfs/dbraw/zinc/14/92/56/972149256.db2.gz OFYRSPXINLUIDA-HZSPNIEDSA-N 2 2 244.398 2.881 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001172368732 974647757 /nfs/dbraw/zinc/64/77/57/974647757.db2.gz XZPBAMOUGCLMNT-IPYPFGDCSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001172368732 974647758 /nfs/dbraw/zinc/64/77/58/974647758.db2.gz XZPBAMOUGCLMNT-IPYPFGDCSA-N 2 2 238.419 2.837 20 0 BFADLP Cc1cc(C)c(Nc2cc[nH+]c3c2CCC3)c[nH+]1 ZINC001213508511 957051398 /nfs/dbraw/zinc/05/13/98/957051398.db2.gz VSNUOUCBXWWRNB-UHFFFAOYSA-N 2 2 239.322 2.748 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCC3CCCC3)C[C@H]21 ZINC001208695760 957129375 /nfs/dbraw/zinc/12/93/75/957129375.db2.gz GNMVQGYLJYHOOO-HUUCEWRRSA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+](CCC3CCCC3)C[C@H]21 ZINC001208695760 957129385 /nfs/dbraw/zinc/12/93/85/957129385.db2.gz GNMVQGYLJYHOOO-HUUCEWRRSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001208695760 957129392 /nfs/dbraw/zinc/12/93/92/957129392.db2.gz GNMVQGYLJYHOOO-HUUCEWRRSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001208695760 957129397 /nfs/dbraw/zinc/12/93/97/957129397.db2.gz GNMVQGYLJYHOOO-HUUCEWRRSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C[NH2+]1 ZINC001246313532 972274752 /nfs/dbraw/zinc/27/47/52/972274752.db2.gz ZYONYYZCVDCNNY-PGUXBMHVSA-N 2 2 248.345 2.543 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c1 ZINC000399501510 958750239 /nfs/dbraw/zinc/75/02/39/958750239.db2.gz WSNODDTYTZMGQQ-ZFWWWQNUSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c1 ZINC000399501510 958750260 /nfs/dbraw/zinc/75/02/60/958750260.db2.gz WSNODDTYTZMGQQ-ZFWWWQNUSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)c1 ZINC000399501508 958751828 /nfs/dbraw/zinc/75/18/28/958751828.db2.gz WSNODDTYTZMGQQ-UKRRQHHQSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)c1 ZINC000399501508 958751843 /nfs/dbraw/zinc/75/18/43/958751843.db2.gz WSNODDTYTZMGQQ-UKRRQHHQSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1C ZINC001222282471 960528356 /nfs/dbraw/zinc/52/83/56/960528356.db2.gz JVXPWYLBPZSIBM-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]3)C2)cc1C ZINC001222282471 960528363 /nfs/dbraw/zinc/52/83/63/960528363.db2.gz JVXPWYLBPZSIBM-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP CC1(C)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803226 960584743 /nfs/dbraw/zinc/58/47/43/960584743.db2.gz MAKWVBVIKRVXAI-UHFFFAOYSA-N 2 2 229.327 2.795 20 0 BFADLP CC1(C)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140803226 960584760 /nfs/dbraw/zinc/58/47/60/960584760.db2.gz MAKWVBVIKRVXAI-UHFFFAOYSA-N 2 2 229.327 2.795 20 0 BFADLP F[C@@H]1CCCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801917 960589067 /nfs/dbraw/zinc/58/90/67/960589067.db2.gz KXGLZZDZFWXEEC-GFCCVEGCSA-N 2 2 247.317 2.887 20 0 BFADLP F[C@@H]1CCCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801917 960589079 /nfs/dbraw/zinc/58/90/79/960589079.db2.gz KXGLZZDZFWXEEC-GFCCVEGCSA-N 2 2 247.317 2.887 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000398227373 960611580 /nfs/dbraw/zinc/61/15/80/960611580.db2.gz QOZGJDIBGWHFHI-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000398227373 960611589 /nfs/dbraw/zinc/61/15/89/960611589.db2.gz QOZGJDIBGWHFHI-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CC1 ZINC001141238310 961017510 /nfs/dbraw/zinc/01/75/10/961017510.db2.gz JIWLLPOHKOIOQL-UHFFFAOYSA-N 2 2 241.338 2.714 20 0 BFADLP C[N@H+](Cc1cccc(-n2cc[nH+]c2)c1)CC1CC1 ZINC001141238310 961017545 /nfs/dbraw/zinc/01/75/45/961017545.db2.gz JIWLLPOHKOIOQL-UHFFFAOYSA-N 2 2 241.338 2.714 20 0 BFADLP C[C@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000092932974 962041177 /nfs/dbraw/zinc/04/11/77/962041177.db2.gz KZBHZQGQBLBFTL-JSGCOSHPSA-N 2 2 233.359 2.709 20 0 BFADLP CC(C)N(CCC[NH3+])c1cc2ccccc2c[nH+]1 ZINC001156118315 963263719 /nfs/dbraw/zinc/26/37/19/963263719.db2.gz CVDMZQJCTNPYSA-UHFFFAOYSA-N 2 2 243.354 2.798 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204801407 963666796 /nfs/dbraw/zinc/66/67/96/963666796.db2.gz OJCRORWDOATKGF-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CC[C@@](C)([NH3+])C2)c1 ZINC001204801407 963666802 /nfs/dbraw/zinc/66/68/02/963666802.db2.gz OJCRORWDOATKGF-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP C[C@@]1(C[NH3+])CCCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001158685100 963902138 /nfs/dbraw/zinc/90/21/38/963902138.db2.gz VQUAJUUMKYPCJI-HNNXBMFYSA-N 2 2 245.370 2.524 20 0 BFADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC001168204391 963983802 /nfs/dbraw/zinc/98/38/02/963983802.db2.gz PHFYVQZNPVCLFA-NRXISQOPSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC001168204391 963983811 /nfs/dbraw/zinc/98/38/11/963983811.db2.gz PHFYVQZNPVCLFA-NRXISQOPSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC(C)CC1)C2 ZINC001168211605 963988662 /nfs/dbraw/zinc/98/86/62/963988662.db2.gz FFINZOUTGOWHFB-UHFFFAOYSA-N 2 2 233.359 2.586 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC(C)CC1)C2 ZINC001168211605 963988672 /nfs/dbraw/zinc/98/86/72/963988672.db2.gz FFINZOUTGOWHFB-UHFFFAOYSA-N 2 2 233.359 2.586 20 0 BFADLP Cc1ccc([C@@H](C)[N@H+](C)C[C@H]2CCC[NH2+]2)cc1 ZINC000300136541 964136266 /nfs/dbraw/zinc/13/62/66/964136266.db2.gz PFGJCEDZLQCQML-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]2)cc1 ZINC000300136541 964136276 /nfs/dbraw/zinc/13/62/76/964136276.db2.gz PFGJCEDZLQCQML-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@H](C)[N@H+](C)C[C@H]2CCC[NH2+]2)cc1 ZINC000300136540 964137416 /nfs/dbraw/zinc/13/74/16/964137416.db2.gz PFGJCEDZLQCQML-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@H](C)[N@@H+](C)C[C@H]2CCC[NH2+]2)cc1 ZINC000300136540 964137422 /nfs/dbraw/zinc/13/74/22/964137422.db2.gz PFGJCEDZLQCQML-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+](C)c1ccc(NC=C2CC[NH2+]CC2)cc1 ZINC001160371743 964291203 /nfs/dbraw/zinc/29/12/03/964291203.db2.gz GRXRBVBPNIEYNI-UHFFFAOYSA-N 2 2 245.370 2.822 20 0 BFADLP CC[N@@H+](C)c1ccc(NC=C2CC[NH2+]CC2)cc1 ZINC001160371743 964291214 /nfs/dbraw/zinc/29/12/14/964291214.db2.gz GRXRBVBPNIEYNI-UHFFFAOYSA-N 2 2 245.370 2.822 20 0 BFADLP C[N@@H+]1CCC[C@@H]1CCNc1cccc(C2CC2)[nH+]1 ZINC001160968918 964458855 /nfs/dbraw/zinc/45/88/55/964458855.db2.gz PUQYHFSMCMOXNT-CYBMUJFWSA-N 2 2 245.370 2.855 20 0 BFADLP C[N@H+]1CCC[C@@H]1CCNc1cccc(C2CC2)[nH+]1 ZINC001160968918 964458864 /nfs/dbraw/zinc/45/88/64/964458864.db2.gz PUQYHFSMCMOXNT-CYBMUJFWSA-N 2 2 245.370 2.855 20 0 BFADLP C[C@@H](CC[NH2+]Cc1ccsc1Cl)[NH+](C)C ZINC000697825891 964547387 /nfs/dbraw/zinc/54/73/87/964547387.db2.gz HOEFQKNGGDZMLU-VIFPVBQESA-N 2 2 246.807 2.831 20 0 BFADLP Cc1cccc(C[NH2+]CC[C@H](C)[NH+](C)C)c1F ZINC000697933878 964747700 /nfs/dbraw/zinc/74/77/00/964747700.db2.gz ANTZQNIDHBXXKB-LBPRGKRZSA-N 2 2 238.350 2.564 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000164545316 965088359 /nfs/dbraw/zinc/08/83/59/965088359.db2.gz WPEQMHFVOUJDFY-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](CC)C1 ZINC000164545316 965088368 /nfs/dbraw/zinc/08/83/68/965088368.db2.gz WPEQMHFVOUJDFY-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000226769249 965244416 /nfs/dbraw/zinc/24/44/16/965244416.db2.gz IULAUSMJPUWVAN-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000226769249 965244431 /nfs/dbraw/zinc/24/44/31/965244431.db2.gz IULAUSMJPUWVAN-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cc[nH+]c(NCc2ccc3[nH+]ccn3c2)c1 ZINC001163136007 965262951 /nfs/dbraw/zinc/26/29/51/965262951.db2.gz QTECHYOYVNUNHZ-UHFFFAOYSA-N 2 2 238.294 2.650 20 0 BFADLP Cc1cc2ccccc2c(N(C)CC[NH+](C)C)[nH+]1 ZINC001163590564 965466540 /nfs/dbraw/zinc/46/65/40/965466540.db2.gz YJQBLJQCZDOPFS-UHFFFAOYSA-N 2 2 243.354 2.541 20 0 BFADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)CC1 ZINC001205094682 965729405 /nfs/dbraw/zinc/72/94/05/965729405.db2.gz OAZFLEGXJXGBGQ-SECBINFHSA-N 2 2 244.791 2.715 20 0 BFADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)CC1 ZINC001205094682 965729411 /nfs/dbraw/zinc/72/94/11/965729411.db2.gz OAZFLEGXJXGBGQ-SECBINFHSA-N 2 2 244.791 2.715 20 0 BFADLP CCc1ccc(C[N@H+](CC)CCn2cc[nH+]c2)o1 ZINC001204394834 965955081 /nfs/dbraw/zinc/95/50/81/965955081.db2.gz TYBNZXRGYCJNOX-UHFFFAOYSA-N 2 2 247.342 2.561 20 0 BFADLP CCc1ccc(C[N@@H+](CC)CCn2cc[nH+]c2)o1 ZINC001204394834 965955090 /nfs/dbraw/zinc/95/50/90/965955090.db2.gz TYBNZXRGYCJNOX-UHFFFAOYSA-N 2 2 247.342 2.561 20 0 BFADLP CCCC[C@@H](CC)C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165035 966019164 /nfs/dbraw/zinc/01/91/64/966019164.db2.gz FWJMIIGOQFSKLB-HZSPNIEDSA-N 2 2 224.392 2.626 20 0 BFADLP CCCC[C@@H](CC)C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165035 966019177 /nfs/dbraw/zinc/01/91/77/966019177.db2.gz FWJMIIGOQFSKLB-HZSPNIEDSA-N 2 2 224.392 2.626 20 0 BFADLP Cc1cc[nH+]cc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165279086 966025727 /nfs/dbraw/zinc/02/57/27/966025727.db2.gz PKCNCSKJIJBMAL-CYBMUJFWSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1cc[nH+]cc1NCC[C@H]1CCC[N@H+](C)C1 ZINC001165279086 966025741 /nfs/dbraw/zinc/02/57/41/966025741.db2.gz PKCNCSKJIJBMAL-CYBMUJFWSA-N 2 2 233.359 2.534 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C(F)F)cc1 ZINC001236869616 966603490 /nfs/dbraw/zinc/60/34/90/966603490.db2.gz MMZRJQKPTOAWMM-LBPRGKRZSA-N 2 2 242.313 2.793 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C(F)F)cc1 ZINC001236869616 966603498 /nfs/dbraw/zinc/60/34/98/966603498.db2.gz MMZRJQKPTOAWMM-LBPRGKRZSA-N 2 2 242.313 2.793 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc2sccc21 ZINC001205197307 966813968 /nfs/dbraw/zinc/81/39/68/966813968.db2.gz KOVSYFHTOJNWPS-ZWNOBZJWSA-N 2 2 246.379 2.823 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc2sccc21 ZINC001205197307 966813977 /nfs/dbraw/zinc/81/39/77/966813977.db2.gz KOVSYFHTOJNWPS-ZWNOBZJWSA-N 2 2 246.379 2.823 20 0 BFADLP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528001183 966840900 /nfs/dbraw/zinc/84/09/00/966840900.db2.gz LUUZPLUFADLZNS-OAGGEKHMSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528001183 966840901 /nfs/dbraw/zinc/84/09/01/966840901.db2.gz LUUZPLUFADLZNS-OAGGEKHMSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528001181 966842196 /nfs/dbraw/zinc/84/21/96/966842196.db2.gz LUUZPLUFADLZNS-BZUAXINKSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528001181 966842198 /nfs/dbraw/zinc/84/21/98/966842198.db2.gz LUUZPLUFADLZNS-BZUAXINKSA-N 2 2 248.414 2.782 20 0 BFADLP CC[N@H+](Cc1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001204171475 966914483 /nfs/dbraw/zinc/91/44/83/966914483.db2.gz JILJEIAHCPHDNN-UHFFFAOYSA-N 2 2 246.398 2.911 20 0 BFADLP CC[N@@H+](Cc1ccc(C)cc1)C1CC[NH+](C)CC1 ZINC001204171475 966914489 /nfs/dbraw/zinc/91/44/89/966914489.db2.gz JILJEIAHCPHDNN-UHFFFAOYSA-N 2 2 246.398 2.911 20 0 BFADLP [NH3+]CC[NH+]1CCC(CCCc2ccccc2)CC1 ZINC001204885220 967213242 /nfs/dbraw/zinc/21/32/42/967213242.db2.gz ODLIUMVCNIGHCX-UHFFFAOYSA-N 2 2 246.398 2.680 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1C ZINC001204903981 967227112 /nfs/dbraw/zinc/22/71/12/967227112.db2.gz IZMSMUKDNMTIEX-OAHLLOKOSA-N 2 2 244.382 2.535 20 0 BFADLP Cc1cc(C)c(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1C ZINC001204903981 967227121 /nfs/dbraw/zinc/22/71/21/967227121.db2.gz IZMSMUKDNMTIEX-OAHLLOKOSA-N 2 2 244.382 2.535 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1C ZINC001204937245 967238347 /nfs/dbraw/zinc/23/83/47/967238347.db2.gz APOKKGMADASXJV-OAHLLOKOSA-N 2 2 232.371 2.617 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1C ZINC001204937245 967238355 /nfs/dbraw/zinc/23/83/55/967238355.db2.gz APOKKGMADASXJV-OAHLLOKOSA-N 2 2 232.371 2.617 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001205164634 967407915 /nfs/dbraw/zinc/40/79/15/967407915.db2.gz JXRUDBHFEGASCE-HIFRSBDPSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001205164634 967407924 /nfs/dbraw/zinc/40/79/24/967407924.db2.gz JXRUDBHFEGASCE-HIFRSBDPSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205197171 967424044 /nfs/dbraw/zinc/42/40/44/967424044.db2.gz JGVUBKHPOBNKFM-MLGOLLRUSA-N 2 2 244.382 2.876 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001205197171 967424047 /nfs/dbraw/zinc/42/40/47/967424047.db2.gz JGVUBKHPOBNKFM-MLGOLLRUSA-N 2 2 244.382 2.876 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205201847 967425582 /nfs/dbraw/zinc/42/55/82/967425582.db2.gz NGKILTFUYMBGBW-IUODEOHRSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC001205201847 967425590 /nfs/dbraw/zinc/42/55/90/967425590.db2.gz NGKILTFUYMBGBW-IUODEOHRSA-N 2 2 232.371 2.732 20 0 BFADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)o2)CC1 ZINC001205289049 967481594 /nfs/dbraw/zinc/48/15/94/967481594.db2.gz RWEMMQREAXWVDI-LBPRGKRZSA-N 2 2 242.750 2.636 20 0 BFADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)o2)CC1 ZINC001205289049 967481624 /nfs/dbraw/zinc/48/16/24/967481624.db2.gz RWEMMQREAXWVDI-LBPRGKRZSA-N 2 2 242.750 2.636 20 0 BFADLP Cc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])cs1 ZINC001205851864 967855353 /nfs/dbraw/zinc/85/53/53/967855353.db2.gz CMDNFUODLDUXLO-MFKMUULPSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1cc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])cs1 ZINC001205851864 967855357 /nfs/dbraw/zinc/85/53/57/967855357.db2.gz CMDNFUODLDUXLO-MFKMUULPSA-N 2 2 238.400 2.616 20 0 BFADLP CCc1ccc(C[N@@H+]2CCCC[C@@H]([NH3+])C2)s1 ZINC001205931166 967892555 /nfs/dbraw/zinc/89/25/55/967892555.db2.gz HPPQEGMIJDCWGD-LLVKDONJSA-N 2 2 238.400 2.624 20 0 BFADLP CCc1ccc(C[N@H+]2CCCC[C@@H]([NH3+])C2)s1 ZINC001205931166 967892559 /nfs/dbraw/zinc/89/25/59/967892559.db2.gz HPPQEGMIJDCWGD-LLVKDONJSA-N 2 2 238.400 2.624 20 0 BFADLP CC[N@H+](C)c1ccc(Nc2cc[nH+]c(N)c2)cc1 ZINC001206584272 968400589 /nfs/dbraw/zinc/40/05/89/968400589.db2.gz HMNZMQLPMVIQEC-UHFFFAOYSA-N 2 2 242.326 2.864 20 0 BFADLP CC[N@@H+](C)c1ccc(Nc2cc[nH+]c(N)c2)cc1 ZINC001206584272 968400599 /nfs/dbraw/zinc/40/05/99/968400599.db2.gz HMNZMQLPMVIQEC-UHFFFAOYSA-N 2 2 242.326 2.864 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+](CCCC1CCCC1)C2 ZINC001208087860 968992244 /nfs/dbraw/zinc/99/22/44/968992244.db2.gz WCLRLVWUEPVHEF-UHFFFAOYSA-N 2 2 247.386 2.978 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+](CCCC1CCCC1)C2 ZINC001208087860 968992250 /nfs/dbraw/zinc/99/22/50/968992250.db2.gz WCLRLVWUEPVHEF-UHFFFAOYSA-N 2 2 247.386 2.978 20 0 BFADLP CC/C=C\CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001208135356 969037274 /nfs/dbraw/zinc/03/72/74/969037274.db2.gz BSQHJIKJMLRWKT-NWRQEBOHSA-N 2 2 236.403 2.901 20 0 BFADLP CC/C=C\CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC001208135356 969037284 /nfs/dbraw/zinc/03/72/84/969037284.db2.gz BSQHJIKJMLRWKT-NWRQEBOHSA-N 2 2 236.403 2.901 20 0 BFADLP CC/C=C\CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001208135356 969037290 /nfs/dbraw/zinc/03/72/90/969037290.db2.gz BSQHJIKJMLRWKT-NWRQEBOHSA-N 2 2 236.403 2.901 20 0 BFADLP CC/C=C\CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001208135356 969037297 /nfs/dbraw/zinc/03/72/97/969037297.db2.gz BSQHJIKJMLRWKT-NWRQEBOHSA-N 2 2 236.403 2.901 20 0 BFADLP CC/C=C\CCC[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001208138666 969044959 /nfs/dbraw/zinc/04/49/59/969044959.db2.gz QUJMPERNHRATMB-VQGNRHNMSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001208138666 969044973 /nfs/dbraw/zinc/04/49/73/969044973.db2.gz QUJMPERNHRATMB-VQGNRHNMSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001208138666 969044983 /nfs/dbraw/zinc/04/49/83/969044983.db2.gz QUJMPERNHRATMB-VQGNRHNMSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001208138666 969044996 /nfs/dbraw/zinc/04/49/96/969044996.db2.gz QUJMPERNHRATMB-VQGNRHNMSA-N 2 2 236.403 2.759 20 0 BFADLP C[N@@H+]1CCC=C(c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001241569649 969061705 /nfs/dbraw/zinc/06/17/05/969061705.db2.gz JUZYKWLIBCLQSA-UHFFFAOYSA-N 2 2 239.322 2.591 20 0 BFADLP C[N@H+]1CCC=C(c2ccc(-n3cc[nH+]c3)cc2)C1 ZINC001241569649 969061715 /nfs/dbraw/zinc/06/17/15/969061715.db2.gz JUZYKWLIBCLQSA-UHFFFAOYSA-N 2 2 239.322 2.591 20 0 BFADLP C[N@@H+]1CCC[C@H](C[NH+](Cc2ccco2)C2CC2)C1 ZINC001208618186 969177150 /nfs/dbraw/zinc/17/71/50/969177150.db2.gz SEFLLWVDUBIIOL-ZDUSSCGKSA-N 2 2 248.370 2.586 20 0 BFADLP C[N@H+]1CCC[C@H](C[NH+](Cc2ccco2)C2CC2)C1 ZINC001208618186 969177157 /nfs/dbraw/zinc/17/71/57/969177157.db2.gz SEFLLWVDUBIIOL-ZDUSSCGKSA-N 2 2 248.370 2.586 20 0 BFADLP C[NH+]1CCC[C@H](C[N@H+](Cc2ccco2)C2CC2)C1 ZINC001208618186 969177160 /nfs/dbraw/zinc/17/71/60/969177160.db2.gz SEFLLWVDUBIIOL-ZDUSSCGKSA-N 2 2 248.370 2.586 20 0 BFADLP C[NH+]1CCC[C@H](C[N@@H+](Cc2ccco2)C2CC2)C1 ZINC001208618186 969177164 /nfs/dbraw/zinc/17/71/64/969177164.db2.gz SEFLLWVDUBIIOL-ZDUSSCGKSA-N 2 2 248.370 2.586 20 0 BFADLP CC[N@H+](CCCC(C)C)C1CC[NH+](C)CC1 ZINC001208735982 969229359 /nfs/dbraw/zinc/22/93/59/969229359.db2.gz UPCPJPWTWSSYBD-UHFFFAOYSA-N 2 2 226.408 2.839 20 0 BFADLP CC[N@@H+](CCCC(C)C)C1CC[NH+](C)CC1 ZINC001208735982 969229368 /nfs/dbraw/zinc/22/93/68/969229368.db2.gz UPCPJPWTWSSYBD-UHFFFAOYSA-N 2 2 226.408 2.839 20 0 BFADLP C[N@H+]1CC=C(Nc2cccc3cc[nH+]cc32)CC1 ZINC001208843418 969255920 /nfs/dbraw/zinc/25/59/20/969255920.db2.gz BPRVVIFESANINC-UHFFFAOYSA-N 2 2 239.322 2.866 20 0 BFADLP C[N@@H+]1CC=C(Nc2cccc3cc[nH+]cc32)CC1 ZINC001208843418 969255926 /nfs/dbraw/zinc/25/59/26/969255926.db2.gz BPRVVIFESANINC-UHFFFAOYSA-N 2 2 239.322 2.866 20 0 BFADLP C/C=C(\NC=[NH2+])[NH2+]C(C)(C)CC(C)(C)C ZINC001169047766 969366335 /nfs/dbraw/zinc/36/63/35/969366335.db2.gz BBJMYWQBNVCZIB-JXMROGBWSA-N 2 2 211.353 2.849 20 0 BFADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001169142647 969452476 /nfs/dbraw/zinc/45/24/76/969452476.db2.gz FDYIPSQSCBUXDV-RBZJEDDUSA-N 2 2 248.414 2.876 20 0 BFADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001169142647 969452484 /nfs/dbraw/zinc/45/24/84/969452484.db2.gz FDYIPSQSCBUXDV-RBZJEDDUSA-N 2 2 248.414 2.876 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001169142647 969452492 /nfs/dbraw/zinc/45/24/92/969452492.db2.gz FDYIPSQSCBUXDV-RBZJEDDUSA-N 2 2 248.414 2.876 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001169142647 969452500 /nfs/dbraw/zinc/45/25/00/969452500.db2.gz FDYIPSQSCBUXDV-RBZJEDDUSA-N 2 2 248.414 2.876 20 0 BFADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(C)n2)CC1 ZINC001169230809 969504669 /nfs/dbraw/zinc/50/46/69/969504669.db2.gz JDUWANQTMVJCKN-ZDUSSCGKSA-N 2 2 247.386 2.525 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001169266634 969523843 /nfs/dbraw/zinc/52/38/43/969523843.db2.gz ZLROONIAULFWIJ-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001169266634 969523853 /nfs/dbraw/zinc/52/38/53/969523853.db2.gz ZLROONIAULFWIJ-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001169266635 969526590 /nfs/dbraw/zinc/52/65/90/969526590.db2.gz ZLROONIAULFWIJ-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC001169266635 969526598 /nfs/dbraw/zinc/52/65/98/969526598.db2.gz ZLROONIAULFWIJ-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP CC(C)C[NH+](Cc1c[nH+]ccc1N)CC(C)C ZINC001209725910 969579909 /nfs/dbraw/zinc/57/99/09/969579909.db2.gz DKHNODGMUGRIBM-UHFFFAOYSA-N 2 2 235.375 2.608 20 0 BFADLP Cn1c[nH+]cc1Nc1ccc2c[nH+]ccc2c1 ZINC001210046127 969777164 /nfs/dbraw/zinc/77/71/64/969777164.db2.gz UITUYQIHCXEELZ-UHFFFAOYSA-N 2 2 224.267 2.712 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254830857 969794503 /nfs/dbraw/zinc/79/45/03/969794503.db2.gz IEVWVAFYWZIJEF-MRXNPFEDSA-N 2 2 244.382 2.569 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833638 969796109 /nfs/dbraw/zinc/79/61/09/969796109.db2.gz QLQQITSCYBKLAM-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP C1[C@@H]2CCCC[C@H]2C[NH+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254863233 969813382 /nfs/dbraw/zinc/81/33/82/969813382.db2.gz AFOPIGDDGMFUGZ-JYJNAYRXSA-N 2 2 248.414 2.593 20 0 BFADLP C1[NH+]([C@H]2CC3CC[NH+](CC3)C2)CC12CCCCC2 ZINC001254864520 969814122 /nfs/dbraw/zinc/81/41/22/969814122.db2.gz QZLXOJXUSWIBNB-HNNXBMFYSA-N 2 2 248.414 2.737 20 0 BFADLP CC1(C)CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001255297409 970063809 /nfs/dbraw/zinc/06/38/09/970063809.db2.gz KCKICAGSVLDYOI-UHFFFAOYSA-N 2 2 221.348 2.526 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001255315780 970090744 /nfs/dbraw/zinc/09/07/44/970090744.db2.gz AQMCTWNKSPVCMX-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001255315780 970090753 /nfs/dbraw/zinc/09/07/53/970090753.db2.gz AQMCTWNKSPVCMX-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001255321168 970097054 /nfs/dbraw/zinc/09/70/54/970097054.db2.gz ZOTRYGZVVMCBME-GFCCVEGCSA-N 2 2 222.332 2.629 20 0 BFADLP Cc1c[nH+]ccc1Nc1c[nH+]cc(C)c1C ZINC001213522574 970343188 /nfs/dbraw/zinc/34/31/88/970343188.db2.gz CTUNUZLCXNRBFR-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP CCc1cc(Nc2c[nH+]cc(C)c2C)cc[nH+]1 ZINC001213527592 970346648 /nfs/dbraw/zinc/34/66/48/970346648.db2.gz UYDCPJPMUFDVES-UHFFFAOYSA-N 2 2 227.311 2.821 20 0 BFADLP CC[N@H+]([C@@H]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC001170145979 970432861 /nfs/dbraw/zinc/43/28/61/970432861.db2.gz XGEOWYADKYOTJO-TZMCWYRMSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@@H+]([C@@H]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC001170145979 970432865 /nfs/dbraw/zinc/43/28/65/970432865.db2.gz XGEOWYADKYOTJO-TZMCWYRMSA-N 2 2 224.392 2.591 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cccc(C)n1 ZINC001255940848 970569243 /nfs/dbraw/zinc/56/92/43/970569243.db2.gz HKWOAADUODVCTC-CYBMUJFWSA-N 2 2 249.402 2.600 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC001255954687 970590883 /nfs/dbraw/zinc/59/08/83/970590883.db2.gz HQKXZWJWOFRRPQ-CQSZACIVSA-N 2 2 249.402 2.634 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1cccnc1 ZINC001255954687 970590893 /nfs/dbraw/zinc/59/08/93/970590893.db2.gz HQKXZWJWOFRRPQ-CQSZACIVSA-N 2 2 249.402 2.634 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@@H]1CF ZINC001255968880 970609010 /nfs/dbraw/zinc/60/90/10/970609010.db2.gz MEVQZXUZXVZUMN-CHWSQXEVSA-N 2 2 230.371 2.541 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@@H]1CF ZINC001255968880 970609020 /nfs/dbraw/zinc/60/90/20/970609020.db2.gz MEVQZXUZXVZUMN-CHWSQXEVSA-N 2 2 230.371 2.541 20 0 BFADLP C1CC1[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001256079858 970647047 /nfs/dbraw/zinc/64/70/47/970647047.db2.gz PHKUSSCNOBWPKM-XJKSGUPXSA-N 2 2 248.414 2.878 20 0 BFADLP C1CC1[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC001256079858 970647052 /nfs/dbraw/zinc/64/70/52/970647052.db2.gz PHKUSSCNOBWPKM-XJKSGUPXSA-N 2 2 248.414 2.878 20 0 BFADLP C[C@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC001256080142 970649091 /nfs/dbraw/zinc/64/90/91/970649091.db2.gz SCMJXQCCAFKVCP-STQMWFEESA-N 2 2 236.403 2.734 20 0 BFADLP C[C@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC001256080142 970649099 /nfs/dbraw/zinc/64/90/99/970649099.db2.gz SCMJXQCCAFKVCP-STQMWFEESA-N 2 2 236.403 2.734 20 0 BFADLP CCC[N@H+]([C@@H](C)CC)C1CC[NH+](C)CC1 ZINC001256202011 970695027 /nfs/dbraw/zinc/69/50/27/970695027.db2.gz RLBNTOKAAJRHQM-LBPRGKRZSA-N 2 2 212.381 2.591 20 0 BFADLP CCC[N@@H+]([C@@H](C)CC)C1CC[NH+](C)CC1 ZINC001256202011 970695040 /nfs/dbraw/zinc/69/50/40/970695040.db2.gz RLBNTOKAAJRHQM-LBPRGKRZSA-N 2 2 212.381 2.591 20 0 BFADLP C[NH+]1CCC([N@@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001256209230 970714230 /nfs/dbraw/zinc/71/42/30/970714230.db2.gz UJLLFRXHXOLEQT-HNNXBMFYSA-N 2 2 230.355 2.528 20 0 BFADLP C[NH+]1CCC([N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC001256209230 970714238 /nfs/dbraw/zinc/71/42/38/970714238.db2.gz UJLLFRXHXOLEQT-HNNXBMFYSA-N 2 2 230.355 2.528 20 0 BFADLP C[C@H]1C[C@H]([N@@H+]2CCC[NH2+]C[C@@H]2C)CC(C)(C)C1 ZINC001246569928 972830139 /nfs/dbraw/zinc/83/01/39/972830139.db2.gz GJTOQIAJNZIDNA-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[C@H]([N@H+]2CCC[NH2+]C[C@@H]2C)CC(C)(C)C1 ZINC001246569928 972830141 /nfs/dbraw/zinc/83/01/41/972830141.db2.gz GJTOQIAJNZIDNA-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)=CCC[C@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246660391 973067931 /nfs/dbraw/zinc/06/79/31/973067931.db2.gz SUWFWYVQEAXXQY-MELADBBJSA-N 2 2 222.376 2.544 20 0 BFADLP CC(C)=CCC[C@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246660391 973067950 /nfs/dbraw/zinc/06/79/50/973067950.db2.gz SUWFWYVQEAXXQY-MELADBBJSA-N 2 2 222.376 2.544 20 0 BFADLP CC(C)(C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001225294372 974368870 /nfs/dbraw/zinc/36/88/70/974368870.db2.gz IGUKAIDDZBHBMC-UHFFFAOYSA-N 2 2 234.343 2.723 20 0 BFADLP Cc1[nH+]cn([C@@H]2CC[C@@H](C)[C@H](C)C2)c1CC[NH3+] ZINC001172357678 974626503 /nfs/dbraw/zinc/62/65/03/974626503.db2.gz AIUBZBDKAJOQMH-NQBHXWOUSA-N 2 2 235.375 2.690 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+]CCCn1cc[nH+]c1 ZINC001172384717 974727993 /nfs/dbraw/zinc/72/79/93/974727993.db2.gz WIONLFJRGYABNB-ZDUSSCGKSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@H]([NH3+])C[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC001332455718 975139176 /nfs/dbraw/zinc/13/91/76/975139176.db2.gz JKHZXRUJAAWKGP-NSHDSACASA-N 2 2 236.334 2.527 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC001332455718 975139180 /nfs/dbraw/zinc/13/91/80/975139180.db2.gz JKHZXRUJAAWKGP-NSHDSACASA-N 2 2 236.334 2.527 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001173273323 975149622 /nfs/dbraw/zinc/14/96/22/975149622.db2.gz NHYKVZZROCFQNK-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001173273323 975149626 /nfs/dbraw/zinc/14/96/26/975149626.db2.gz NHYKVZZROCFQNK-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP CCSC[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC001173292688 975169342 /nfs/dbraw/zinc/16/93/42/975169342.db2.gz PQHBRBSEKIOMAV-ZDUSSCGKSA-N 2 2 244.448 2.594 20 0 BFADLP CCSC[C@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001173303415 975208429 /nfs/dbraw/zinc/20/84/29/975208429.db2.gz ZDOWWJLMYFUBLZ-NSHDSACASA-N 2 2 249.383 2.566 20 0 BFADLP CC[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001173292017 975268537 /nfs/dbraw/zinc/26/85/37/975268537.db2.gz CYOGESFISSALAT-CBBWQLFWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001173292017 975268545 /nfs/dbraw/zinc/26/85/45/975268545.db2.gz CYOGESFISSALAT-CBBWQLFWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001173292017 975268558 /nfs/dbraw/zinc/26/85/58/975268558.db2.gz CYOGESFISSALAT-CBBWQLFWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001173292017 975268565 /nfs/dbraw/zinc/26/85/65/975268565.db2.gz CYOGESFISSALAT-CBBWQLFWSA-N 2 2 236.403 2.591 20 0 BFADLP Cc1cc[nH+]c(C)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001227259090 975336169 /nfs/dbraw/zinc/33/61/69/975336169.db2.gz CWYQNWYSNDHGOZ-WDNDVIMCSA-N 2 2 246.354 2.702 20 0 BFADLP Cc1cc[nH+]c(C)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001227259090 975336178 /nfs/dbraw/zinc/33/61/78/975336178.db2.gz CWYQNWYSNDHGOZ-WDNDVIMCSA-N 2 2 246.354 2.702 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cs1 ZINC001333594955 975874220 /nfs/dbraw/zinc/87/42/20/975874220.db2.gz DGJCWGUYYUMIRG-XHVZSJERSA-N 2 2 238.400 2.533 20 0 BFADLP c1cc2cc[nH+]cc2c(Nc2cc[nH+]cc2)c1 ZINC001173883375 975958860 /nfs/dbraw/zinc/95/88/60/975958860.db2.gz HLUKGSQRXJFRFP-UHFFFAOYSA-N 2 2 221.263 2.795 20 0 BFADLP CCOc1cc(Nc2cc[nH+]c(C)c2)cc(C)[nH+]1 ZINC001174654048 976942594 /nfs/dbraw/zinc/94/25/94/976942594.db2.gz ZXNUKUNSXGUJIP-UHFFFAOYSA-N 2 2 243.310 2.658 20 0 BFADLP CCc1[nH+]ccc(C)c1Nc1cc[nH+]c(C)c1 ZINC001174655205 976944637 /nfs/dbraw/zinc/94/46/37/976944637.db2.gz XSAGNGAUMSNRLB-UHFFFAOYSA-N 2 2 227.311 2.821 20 0 BFADLP C[C@H](CC1CC1)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721638302 977595062 /nfs/dbraw/zinc/59/50/62/977595062.db2.gz GHONTGHXILEDCL-MLGOLLRUSA-N 2 2 244.382 2.561 20 0 BFADLP C[C@H](CC1CC1)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721638302 977595073 /nfs/dbraw/zinc/59/50/73/977595073.db2.gz GHONTGHXILEDCL-MLGOLLRUSA-N 2 2 244.382 2.561 20 0 BFADLP Cc1ccc(Nc2ccc(C[NH3+])cc2)c(C)[nH+]1 ZINC001175964563 977832822 /nfs/dbraw/zinc/83/28/22/977832822.db2.gz YBCXRFMTYRMXFP-UHFFFAOYSA-N 2 2 227.311 2.901 20 0 BFADLP [NH3+]Cc1ccc(Nc2ccn3cc[nH+]c3c2)cc1 ZINC001175967084 977835749 /nfs/dbraw/zinc/83/57/49/977835749.db2.gz JNXJIPPLGYJOPJ-UHFFFAOYSA-N 2 2 238.294 2.537 20 0 BFADLP Cc1cc(C)c(Nc2cc(C)[nH+]c(C)c2)c[nH+]1 ZINC001176055453 977902709 /nfs/dbraw/zinc/90/27/09/977902709.db2.gz ZZFNMCWCULCOQT-UHFFFAOYSA-N 2 2 227.311 2.876 20 0 BFADLP Cc1ccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001204174975 978145705 /nfs/dbraw/zinc/14/57/05/978145705.db2.gz JKZZJIRVPOLRLP-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001204174975 978145709 /nfs/dbraw/zinc/14/57/09/978145709.db2.gz JKZZJIRVPOLRLP-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001204174975 978145713 /nfs/dbraw/zinc/14/57/13/978145713.db2.gz JKZZJIRVPOLRLP-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001204174975 978145720 /nfs/dbraw/zinc/14/57/20/978145720.db2.gz JKZZJIRVPOLRLP-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235189193 978993121 /nfs/dbraw/zinc/99/31/21/978993121.db2.gz XNDUMUPPAJQDMG-GOEBONIOSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235189193 978993126 /nfs/dbraw/zinc/99/31/26/978993126.db2.gz XNDUMUPPAJQDMG-GOEBONIOSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235261696 979014836 /nfs/dbraw/zinc/01/48/36/979014836.db2.gz PLXPCAUFQYCCSU-HOTGVXAUSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC001235261696 979014841 /nfs/dbraw/zinc/01/48/41/979014841.db2.gz PLXPCAUFQYCCSU-HOTGVXAUSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccccc1C[N@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235347861 979031539 /nfs/dbraw/zinc/03/15/39/979031539.db2.gz UBKUANNTHUOJBC-OAHLLOKOSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccccc1C[N@@H+](C)[C@@H]1CCC[NH2+]C1 ZINC001235347861 979031543 /nfs/dbraw/zinc/03/15/43/979031543.db2.gz UBKUANNTHUOJBC-OAHLLOKOSA-N 2 2 246.398 2.994 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235725631 979133242 /nfs/dbraw/zinc/13/32/42/979133242.db2.gz SHSOJFMMNNPFNH-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CCCc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC001235725631 979133248 /nfs/dbraw/zinc/13/32/48/979133248.db2.gz SHSOJFMMNNPFNH-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP COc1cccc([C@H]2CCCC[N@@H+]2C[C@@H](C)[NH3+])c1 ZINC001235725160 979136024 /nfs/dbraw/zinc/13/60/24/979136024.db2.gz IAZYNDOUNMVZIV-IUODEOHRSA-N 2 2 248.370 2.569 20 0 BFADLP COc1cccc([C@H]2CCCC[N@H+]2C[C@@H](C)[NH3+])c1 ZINC001235725160 979136032 /nfs/dbraw/zinc/13/60/32/979136032.db2.gz IAZYNDOUNMVZIV-IUODEOHRSA-N 2 2 248.370 2.569 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)CCc1cccc(Cl)c1 ZINC001235839052 979168898 /nfs/dbraw/zinc/16/88/98/979168898.db2.gz HWIRJTKFZUDBLM-ZDUSSCGKSA-N 2 2 240.778 2.552 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001235839052 979168901 /nfs/dbraw/zinc/16/89/01/979168901.db2.gz HWIRJTKFZUDBLM-ZDUSSCGKSA-N 2 2 240.778 2.552 20 0 BFADLP Cc1cc(C[N@@H+](CC[NH3+])C(C)C)cc(C)c1F ZINC001235947284 979216669 /nfs/dbraw/zinc/21/66/69/979216669.db2.gz IFPDODKWXXCORF-UHFFFAOYSA-N 2 2 238.350 2.612 20 0 BFADLP Cc1cc(C[N@H+](CC[NH3+])C(C)C)cc(C)c1F ZINC001235947284 979216679 /nfs/dbraw/zinc/21/66/79/979216679.db2.gz IFPDODKWXXCORF-UHFFFAOYSA-N 2 2 238.350 2.612 20 0 BFADLP Cc1cc(F)cc(C)c1C[N@@H+](CC[NH3+])C(C)C ZINC001235948060 979221661 /nfs/dbraw/zinc/22/16/61/979221661.db2.gz RJMRACISPWCRJU-UHFFFAOYSA-N 2 2 238.350 2.612 20 0 BFADLP Cc1cc(F)cc(C)c1C[N@H+](CC[NH3+])C(C)C ZINC001235948060 979221666 /nfs/dbraw/zinc/22/16/66/979221666.db2.gz RJMRACISPWCRJU-UHFFFAOYSA-N 2 2 238.350 2.612 20 0 BFADLP CC(C)[N@H+](CC[NH3+])Cc1cccc2c1CCCC2 ZINC001235947220 979221751 /nfs/dbraw/zinc/22/17/51/979221751.db2.gz GNCLXRUOWUEVRS-UHFFFAOYSA-N 2 2 246.398 2.735 20 0 BFADLP CC(C)[N@@H+](CC[NH3+])Cc1cccc2c1CCCC2 ZINC001235947220 979221761 /nfs/dbraw/zinc/22/17/61/979221761.db2.gz GNCLXRUOWUEVRS-UHFFFAOYSA-N 2 2 246.398 2.735 20 0 BFADLP C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236071248 979358616 /nfs/dbraw/zinc/35/86/16/979358616.db2.gz HPWMUASVIXQQCV-CJNGLKHVSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236071248 979358625 /nfs/dbraw/zinc/35/86/25/979358625.db2.gz HPWMUASVIXQQCV-CJNGLKHVSA-N 2 2 244.382 2.575 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1cc(C)c(Cl)c(C)c1 ZINC001236144659 979408507 /nfs/dbraw/zinc/40/85/07/979408507.db2.gz RZNCHCRCAORTAX-UHFFFAOYSA-N 2 2 240.778 2.737 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1cc(C)c(Cl)c(C)c1 ZINC001236144659 979408514 /nfs/dbraw/zinc/40/85/14/979408514.db2.gz RZNCHCRCAORTAX-UHFFFAOYSA-N 2 2 240.778 2.737 20 0 BFADLP CC/C=C\CCC[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216969 979452179 /nfs/dbraw/zinc/45/21/79/979452179.db2.gz ZOJANYVWDAIACD-JZIMQPMSSA-N 2 2 236.403 2.949 20 0 BFADLP CC/C=C\CCC[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236216969 979452185 /nfs/dbraw/zinc/45/21/85/979452185.db2.gz ZOJANYVWDAIACD-JZIMQPMSSA-N 2 2 236.403 2.949 20 0 BFADLP CC/C=C\CC[N@@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236215596 979453662 /nfs/dbraw/zinc/45/36/62/979453662.db2.gz DJRXCSLCPGGERH-NQHOJNORSA-N 2 2 222.376 2.559 20 0 BFADLP CC/C=C\CC[N@H+]1CCC[C@H]([NH2+]C2CC2)C1 ZINC001236215596 979453668 /nfs/dbraw/zinc/45/36/68/979453668.db2.gz DJRXCSLCPGGERH-NQHOJNORSA-N 2 2 222.376 2.559 20 0 BFADLP CCc1cc(Nc2ccc(C)[nH+]c2C)cc[nH+]1 ZINC001203370227 979469228 /nfs/dbraw/zinc/46/92/28/979469228.db2.gz XRGWWSLSHJAJFN-UHFFFAOYSA-N 2 2 227.311 2.821 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)c1 ZINC001236417825 979591661 /nfs/dbraw/zinc/59/16/61/979591661.db2.gz DAFSWOZCBNBXNV-WFASDCNBSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)c1 ZINC001236417825 979591674 /nfs/dbraw/zinc/59/16/74/979591674.db2.gz DAFSWOZCBNBXNV-WFASDCNBSA-N 2 2 232.371 2.561 20 0 BFADLP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C[C@H]2CC[NH2+]2)c1 ZINC001236428335 979595561 /nfs/dbraw/zinc/59/55/61/979595561.db2.gz IQQZJEPXLWZPNZ-CVEARBPZSA-N 2 2 244.382 2.802 20 0 BFADLP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@H]2CC[NH2+]2)c1 ZINC001236428335 979595567 /nfs/dbraw/zinc/59/55/67/979595567.db2.gz IQQZJEPXLWZPNZ-CVEARBPZSA-N 2 2 244.382 2.802 20 0 BFADLP CC/C=C\CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC001236521537 979615561 /nfs/dbraw/zinc/61/55/61/979615561.db2.gz DJUVEYBHULHUAV-ARJAWSKDSA-N 2 2 232.371 2.804 20 0 BFADLP CC/C=C\CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001236521537 979615566 /nfs/dbraw/zinc/61/55/66/979615566.db2.gz DJUVEYBHULHUAV-ARJAWSKDSA-N 2 2 232.371 2.804 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc2occc2c1 ZINC001236868514 979773408 /nfs/dbraw/zinc/77/34/08/979773408.db2.gz KXYVWOIYIGTGTH-ZDUSSCGKSA-N 2 2 232.327 2.602 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc2occc2c1 ZINC001236868514 979773419 /nfs/dbraw/zinc/77/34/19/979773419.db2.gz KXYVWOIYIGTGTH-ZDUSSCGKSA-N 2 2 232.327 2.602 20 0 BFADLP Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])c(C)c1Cl ZINC001236911911 979793801 /nfs/dbraw/zinc/79/38/01/979793801.db2.gz KAOQNGUSPBWCOR-JTQLQIEISA-N 2 2 240.778 2.736 20 0 BFADLP Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])c(C)c1Cl ZINC001236911911 979793813 /nfs/dbraw/zinc/79/38/13/979793813.db2.gz KAOQNGUSPBWCOR-JTQLQIEISA-N 2 2 240.778 2.736 20 0 BFADLP CCC[C@@H](C)CC[NH2+][C@H]1CCC[N@H+](CC)C1 ZINC001183573548 979853118 /nfs/dbraw/zinc/85/31/18/979853118.db2.gz VMTXAXOWWQVLFK-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@@H](C)CC[NH2+][C@H]1CCC[N@@H+](CC)C1 ZINC001183573548 979853124 /nfs/dbraw/zinc/85/31/24/979853124.db2.gz VMTXAXOWWQVLFK-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP C[NH+](C)CCCc1ccc(N2CCCCC2)[nH+]c1 ZINC001250161363 980119235 /nfs/dbraw/zinc/11/92/35/980119235.db2.gz XYZFFRGLMGBERZ-UHFFFAOYSA-N 2 2 247.386 2.566 20 0 BFADLP CSc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC001345099026 980548058 /nfs/dbraw/zinc/54/80/58/980548058.db2.gz YMFMERYIDUQTGD-SNVBAGLBSA-N 2 2 236.384 2.550 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)n1C ZINC001347385587 981064052 /nfs/dbraw/zinc/06/40/52/981064052.db2.gz IZYPQDOUOOCQER-KBPBESRZSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)n1C ZINC001347385587 981064056 /nfs/dbraw/zinc/06/40/56/981064056.db2.gz IZYPQDOUOOCQER-KBPBESRZSA-N 2 2 247.386 2.741 20 0 BFADLP c1cc2c[nH+]cc(-c3ccc4[nH+]ccn4c3)c2[nH]1 ZINC001240219777 981168887 /nfs/dbraw/zinc/16/88/87/981168887.db2.gz VDOVIAFYLMEGRY-UHFFFAOYSA-N 2 2 234.262 2.878 20 0 BFADLP [NH3+]CCc1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC001240218719 981169124 /nfs/dbraw/zinc/16/91/24/981169124.db2.gz VKJFAQYIPNVYHN-UHFFFAOYSA-N 2 2 237.306 2.503 20 0 BFADLP c1cn2ccc(-c3cccn4c[nH+]cc34)cc2[nH+]1 ZINC001240511911 981436556 /nfs/dbraw/zinc/43/65/56/981436556.db2.gz LJIZEAVVHXAVBP-UHFFFAOYSA-N 2 2 234.262 2.649 20 0 BFADLP c1coc([C@H]2CCCCC[N@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC001580897096 981734449 /nfs/dbraw/zinc/73/44/49/981734449.db2.gz DTNULORYCLUQPZ-ZIAGYGMSSA-N 2 2 248.370 2.949 20 0 BFADLP c1coc([C@H]2CCCCC[N@@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC001580897096 981734459 /nfs/dbraw/zinc/73/44/59/981734459.db2.gz DTNULORYCLUQPZ-ZIAGYGMSSA-N 2 2 248.370 2.949 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205889045 983083671 /nfs/dbraw/zinc/08/36/71/983083671.db2.gz PQXWHULRAQMDFS-CJNGLKHVSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC001205889045 983083681 /nfs/dbraw/zinc/08/36/81/983083681.db2.gz PQXWHULRAQMDFS-CJNGLKHVSA-N 2 2 246.398 2.979 20 0 BFADLP c1ccc(NCCC[NH2+]C2CCCCC2)[nH+]c1 ZINC001200901167 983120927 /nfs/dbraw/zinc/12/09/27/983120927.db2.gz HCFGKTDPILMQJE-UHFFFAOYSA-N 2 2 233.359 2.806 20 0 BFADLP Cc1cn2c(cccc2-c2ccc(C[NH3+])cc2)[nH+]1 ZINC001241913476 983130248 /nfs/dbraw/zinc/13/02/48/983130248.db2.gz XVXKDNDJQQQVSQ-UHFFFAOYSA-N 2 2 237.306 2.768 20 0 BFADLP C/C(=C\C=C\[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC001242150311 983382507 /nfs/dbraw/zinc/38/25/07/983382507.db2.gz MMVBHVJHUKPVLH-FSQXPMRDSA-N 2 2 246.354 2.503 20 0 BFADLP CCCCC[N@H+](CC)C1CC[NH+](C)CC1 ZINC001201735544 983472696 /nfs/dbraw/zinc/47/26/96/983472696.db2.gz UVTDEBSEBFTNLB-UHFFFAOYSA-N 2 2 212.381 2.593 20 0 BFADLP CCCCC[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001201735544 983472704 /nfs/dbraw/zinc/47/27/04/983472704.db2.gz UVTDEBSEBFTNLB-UHFFFAOYSA-N 2 2 212.381 2.593 20 0 BFADLP CC[N@H+](CCCC(F)(F)F)CCn1cc[nH+]c1 ZINC001202442635 983664939 /nfs/dbraw/zinc/66/49/39/983664939.db2.gz LUKGCBUMWAIOGH-UHFFFAOYSA-N 2 2 249.280 2.548 20 0 BFADLP CC[N@@H+](CCCC(F)(F)F)CCn1cc[nH+]c1 ZINC001202442635 983664947 /nfs/dbraw/zinc/66/49/47/983664947.db2.gz LUKGCBUMWAIOGH-UHFFFAOYSA-N 2 2 249.280 2.548 20 0 BFADLP Cc1cn2c(cccc2-c2ccc3c(c2)C[NH2+]C3)[nH+]1 ZINC001242676549 984045121 /nfs/dbraw/zinc/04/51/21/984045121.db2.gz TWRVMVOTYOURCG-UHFFFAOYSA-N 2 2 249.317 2.913 20 0 BFADLP C/C=C(\C)c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001242760054 984124425 /nfs/dbraw/zinc/12/44/25/984124425.db2.gz JNTUVYQLBWLFGU-PTJFDQCRSA-N 2 2 230.355 2.643 20 0 BFADLP C/C=C(\C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC001242760054 984124431 /nfs/dbraw/zinc/12/44/31/984124431.db2.gz JNTUVYQLBWLFGU-PTJFDQCRSA-N 2 2 230.355 2.643 20 0 BFADLP Cn1c[nH+]cc1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC001243068538 984489244 /nfs/dbraw/zinc/48/92/44/984489244.db2.gz CPCYTVDIQPNUNB-UHFFFAOYSA-N 2 2 241.338 2.554 20 0 BFADLP C[N@@H+]1CCC[C@]2(CCC[NH+](Cc3ccoc3)C2)C1 ZINC001275943808 984744137 /nfs/dbraw/zinc/74/41/37/984744137.db2.gz SSUJLPABHBBYME-HNNXBMFYSA-N 2 2 248.370 2.587 20 0 BFADLP C[N@H+]1CCC[C@]2(CCC[NH+](Cc3ccoc3)C2)C1 ZINC001275943808 984744143 /nfs/dbraw/zinc/74/41/43/984744143.db2.gz SSUJLPABHBBYME-HNNXBMFYSA-N 2 2 248.370 2.587 20 0 BFADLP C[NH+]1CCC[C@]2(CCC[N@H+](Cc3ccoc3)C2)C1 ZINC001275943808 984744169 /nfs/dbraw/zinc/74/41/69/984744169.db2.gz SSUJLPABHBBYME-HNNXBMFYSA-N 2 2 248.370 2.587 20 0 BFADLP C[NH+]1CCC[C@]2(CCC[N@@H+](Cc3ccoc3)C2)C1 ZINC001275943808 984744204 /nfs/dbraw/zinc/74/42/04/984744204.db2.gz SSUJLPABHBBYME-HNNXBMFYSA-N 2 2 248.370 2.587 20 0 BFADLP CCC1CCC(n2cc[nH+]c2CC[NH3+])CC1 ZINC001256866455 984844742 /nfs/dbraw/zinc/84/47/42/984844742.db2.gz SMSXIKZNIOGREM-UHFFFAOYSA-N 2 2 221.348 2.526 20 0 BFADLP Nc1[nH+]cccc1-c1ccccc1C1([NH3+])CCC1 ZINC001243477533 985040839 /nfs/dbraw/zinc/04/08/39/985040839.db2.gz SFBZXJBIRSPEQE-UHFFFAOYSA-N 2 2 239.322 2.669 20 0 BFADLP C[N@H+](Cc1ccc2occc2c1)CC(C)(C)[NH3+] ZINC001578490680 985121404 /nfs/dbraw/zinc/12/14/04/985121404.db2.gz RXTXDFCXLNTFOW-UHFFFAOYSA-N 2 2 232.327 2.602 20 0 BFADLP C[N@@H+](Cc1ccc2occc2c1)CC(C)(C)[NH3+] ZINC001578490680 985121412 /nfs/dbraw/zinc/12/14/12/985121412.db2.gz RXTXDFCXLNTFOW-UHFFFAOYSA-N 2 2 232.327 2.602 20 0 BFADLP C[C@H](CC1CC1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258457714 985900865 /nfs/dbraw/zinc/90/08/65/985900865.db2.gz KSZJDOOPUNDRQD-LLVKDONJSA-N 2 2 229.327 2.613 20 0 BFADLP c1csc(C[NH2+]CCCNc2cccc[nH+]2)c1 ZINC001461264804 986030364 /nfs/dbraw/zinc/03/03/64/986030364.db2.gz QKIAPFZZZUHBBA-UHFFFAOYSA-N 2 2 247.367 2.735 20 0 BFADLP Cc1ccccc1C[NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1 ZINC001579802305 986224544 /nfs/dbraw/zinc/22/45/44/986224544.db2.gz XELNTHUZWIDQPX-HNNXBMFYSA-N 2 2 246.398 2.863 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H](C)C1 ZINC001258826506 986288236 /nfs/dbraw/zinc/28/82/36/986288236.db2.gz DHRIWRPJLXQTMS-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC[C@@H](C)C1 ZINC001258826506 986288248 /nfs/dbraw/zinc/28/82/48/986288248.db2.gz DHRIWRPJLXQTMS-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP FCc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC001580027169 986424349 /nfs/dbraw/zinc/42/43/49/986424349.db2.gz KSCLYHXIEQROEW-CABCVRRESA-N 2 2 248.345 2.530 20 0 BFADLP CNc1cc(-c2ccc([C@@H](C)[NH3+])cc2)cc[nH+]1 ZINC001244972228 986547554 /nfs/dbraw/zinc/54/75/54/986547554.db2.gz LBGSABJGDXMYFU-SNVBAGLBSA-N 2 2 227.311 2.810 20 0 BFADLP CNc1cc(-c2ccccc2[C@H](C)[NH3+])cc[nH+]1 ZINC001244975185 986560134 /nfs/dbraw/zinc/56/01/34/986560134.db2.gz CZPHDKPKBQERMK-JTQLQIEISA-N 2 2 227.311 2.810 20 0 BFADLP CNc1cc(-c2ccc(C(C)(C)[NH3+])cc2)cc[nH+]1 ZINC001244977110 986567574 /nfs/dbraw/zinc/56/75/74/986567574.db2.gz RPCYUNGOKMIBFW-UHFFFAOYSA-N 2 2 241.338 2.984 20 0 BFADLP Cc1cc(-c2cccc([C@H](C)[NH3+])c2)c[nH+]c1N ZINC001245540122 986924274 /nfs/dbraw/zinc/92/42/74/986924274.db2.gz RMUIGTCIHSRCNV-JTQLQIEISA-N 2 2 227.311 2.659 20 0 BFADLP Cc1cn2cc(-c3ccc4c[nH+]cn4c3)ccc2[nH+]1 ZINC001245895739 987108264 /nfs/dbraw/zinc/10/82/64/987108264.db2.gz BNBIVWPSRPUSRS-UHFFFAOYSA-N 2 2 248.289 2.957 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246090713 987398115 /nfs/dbraw/zinc/39/81/15/987398115.db2.gz GVAQXIIFFQTPMZ-RFGFWPKPSA-N 2 2 244.398 2.737 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246220464 987617047 /nfs/dbraw/zinc/61/70/47/987617047.db2.gz KBGQCGKWGZIHAF-SNPRPXQTSA-N 2 2 238.419 2.645 20 0 BFADLP Cc1ccc(C2([NH2+][C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246232571 987630263 /nfs/dbraw/zinc/63/02/63/987630263.db2.gz XNGHYJKFVDUKEH-HNNXBMFYSA-N 2 2 244.382 2.716 20 0 BFADLP Cc1ccc(C(C)(C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246237912 987635186 /nfs/dbraw/zinc/63/51/86/987635186.db2.gz JVGNMSGTRHKSFT-DZGCQCFKSA-N 2 2 246.398 2.960 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H](c2ccccc2)C2CCC2)C[NH2+]1 ZINC001246288598 987680685 /nfs/dbraw/zinc/68/06/85/987680685.db2.gz MAFIVLZNAHDTSF-UHOFOFEASA-N 2 2 244.382 2.868 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+][C@@H](C)C2)cc1C ZINC001246307803 987708947 /nfs/dbraw/zinc/70/89/47/987708947.db2.gz OPGZQQFUGHFLDB-YDHLFZDLSA-N 2 2 232.371 2.704 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1ccccc1C ZINC001246314750 987721011 /nfs/dbraw/zinc/72/10/11/987721011.db2.gz PUWKIIAOZJAPRB-KCQAQPDRSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246317404 987723187 /nfs/dbraw/zinc/72/31/87/987723187.db2.gz NNBKBZRMQFOBER-HZSPNIEDSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)ccc1F ZINC001246318250 987725633 /nfs/dbraw/zinc/72/56/33/987725633.db2.gz RNYLCBGUCOSQRT-YPMHNXCESA-N 2 2 236.334 2.537 20 0 BFADLP Cc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC001246353940 987761265 /nfs/dbraw/zinc/76/12/65/987761265.db2.gz XTKLIRUZAHTJGP-AAEUAGOBSA-N 2 2 236.334 2.537 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+][C@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246389619 987781173 /nfs/dbraw/zinc/78/11/73/987781173.db2.gz OGEGZRPDHZPFOY-GXTWGEPZSA-N 2 2 232.371 2.570 20 0 BFADLP Cc1cccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCC2)c1 ZINC001246413733 987792256 /nfs/dbraw/zinc/79/22/56/987792256.db2.gz PVFVHUBYSYMGRY-HNNXBMFYSA-N 2 2 244.382 2.716 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCCC1 ZINC001474745962 987816258 /nfs/dbraw/zinc/81/62/58/987816258.db2.gz YXDJPEJBBPNZEE-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCCC1 ZINC001474745962 987816263 /nfs/dbraw/zinc/81/62/63/987816263.db2.gz YXDJPEJBBPNZEE-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246461531 987820445 /nfs/dbraw/zinc/82/04/45/987820445.db2.gz LHFLYCGOGPHLIQ-AEGPPILISA-N 2 2 232.371 2.868 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+]2Cc3ccccc3[C@H](C)C2)C[NH2+]1 ZINC001246547673 987929360 /nfs/dbraw/zinc/92/93/60/987929360.db2.gz LZIVTDCYZCXGKN-UMVBOHGHSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccccc3[C@H](C)C2)C[NH2+]1 ZINC001246547673 987929369 /nfs/dbraw/zinc/92/93/69/987929369.db2.gz LZIVTDCYZCXGKN-UMVBOHGHSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@H]1C[N@@H+]([C@H]2CCCC[NH2+]C2)Cc2ccccc21 ZINC001246549031 987936679 /nfs/dbraw/zinc/93/66/79/987936679.db2.gz PIAIZUOXNVGJIU-ZFWWWQNUSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1C[N@H+]([C@H]2CCCC[NH2+]C2)Cc2ccccc21 ZINC001246549031 987936692 /nfs/dbraw/zinc/93/66/92/987936692.db2.gz PIAIZUOXNVGJIU-ZFWWWQNUSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001246568687 988045372 /nfs/dbraw/zinc/04/53/72/988045372.db2.gz AMDTWWADBJFCOH-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001246568687 988045385 /nfs/dbraw/zinc/04/53/85/988045385.db2.gz AMDTWWADBJFCOH-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](CCC)[N@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246583647 988119520 /nfs/dbraw/zinc/11/95/20/988119520.db2.gz KHAXCQPLCANLLX-AGIUHOORSA-N 2 2 230.371 2.716 20 0 BFADLP CCCC[C@H](CCC)[N@@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246583647 988119538 /nfs/dbraw/zinc/11/95/38/988119538.db2.gz KHAXCQPLCANLLX-AGIUHOORSA-N 2 2 230.371 2.716 20 0 BFADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246586568 988144496 /nfs/dbraw/zinc/14/44/96/988144496.db2.gz RINHMVOWCLTRRW-HZSPNIEDSA-N 2 2 244.398 2.962 20 0 BFADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246586568 988144499 /nfs/dbraw/zinc/14/44/99/988144499.db2.gz RINHMVOWCLTRRW-HZSPNIEDSA-N 2 2 244.398 2.962 20 0 BFADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246586569 988150498 /nfs/dbraw/zinc/15/04/98/988150498.db2.gz RINHMVOWCLTRRW-MELADBBJSA-N 2 2 244.398 2.962 20 0 BFADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246586569 988150514 /nfs/dbraw/zinc/15/05/14/988150514.db2.gz RINHMVOWCLTRRW-MELADBBJSA-N 2 2 244.398 2.962 20 0 BFADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246588431 988154053 /nfs/dbraw/zinc/15/40/53/988154053.db2.gz VYVJVGBFZKLQFZ-STQMWFEESA-N 2 2 244.398 2.818 20 0 BFADLP CC(C)CC(CC(C)C)[N@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246588431 988154069 /nfs/dbraw/zinc/15/40/69/988154069.db2.gz VYVJVGBFZKLQFZ-STQMWFEESA-N 2 2 244.398 2.818 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655390 988382243 /nfs/dbraw/zinc/38/22/43/988382243.db2.gz LEIQIQIPLAXHOL-LJISPDSOSA-N 2 2 238.419 2.870 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655390 988382260 /nfs/dbraw/zinc/38/22/60/988382260.db2.gz LEIQIQIPLAXHOL-LJISPDSOSA-N 2 2 238.419 2.870 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246662019 988396282 /nfs/dbraw/zinc/39/62/82/988396282.db2.gz VDFNNNVFGSFRNV-IGQOVBAYSA-N 2 2 224.392 2.624 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246662019 988396287 /nfs/dbraw/zinc/39/62/87/988396287.db2.gz VDFNNNVFGSFRNV-IGQOVBAYSA-N 2 2 224.392 2.624 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1C[NH2+][C@H](C)C1 ZINC001246866530 988621917 /nfs/dbraw/zinc/62/19/17/988621917.db2.gz KSMSMWTYCUBJEJ-XNRPHZJLSA-N 2 2 244.382 2.746 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@H]1C[NH2+][C@H](C)C1 ZINC001246866530 988621930 /nfs/dbraw/zinc/62/19/30/988621930.db2.gz KSMSMWTYCUBJEJ-XNRPHZJLSA-N 2 2 244.382 2.746 20 0 BFADLP C1[C@@H]2C[C@@H]([N@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C[C@H]12 ZINC001246978089 988809068 /nfs/dbraw/zinc/80/90/68/988809068.db2.gz JNAXDPRQJHDHEX-OCVGTWLNSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2C[C@@H]([N@@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C[C@H]12 ZINC001246978089 988809071 /nfs/dbraw/zinc/80/90/71/988809071.db2.gz JNAXDPRQJHDHEX-OCVGTWLNSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+](C)[C@H]2CCc3ccccc32)C[NH2+]1 ZINC001247002344 988835731 /nfs/dbraw/zinc/83/57/31/988835731.db2.gz SYQRKSOWAPAAIE-XPKDYRNWSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+](C)[C@H]2CCc3ccccc32)C[NH2+]1 ZINC001247002344 988835734 /nfs/dbraw/zinc/83/57/34/988835734.db2.gz SYQRKSOWAPAAIE-XPKDYRNWSA-N 2 2 244.382 2.746 20 0 BFADLP C[NH2+][C@H](C)CC[NH2+][C@H](C)c1cccc(F)c1F ZINC001326474451 989571983 /nfs/dbraw/zinc/57/19/83/989571983.db2.gz XQNSFVNNGNIXFW-NXEZZACHSA-N 2 2 242.313 2.613 20 0 BFADLP CCc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]c1 ZINC001120883320 989945697 /nfs/dbraw/zinc/94/56/97/989945697.db2.gz FPJSLUZWROQFLH-KGLIPLIRSA-N 2 2 245.370 2.683 20 0 BFADLP CCc1ccc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]c1 ZINC001120883320 989945705 /nfs/dbraw/zinc/94/57/05/989945705.db2.gz FPJSLUZWROQFLH-KGLIPLIRSA-N 2 2 245.370 2.683 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C/C=C/c1ccccc1 ZINC001308292285 990957332 /nfs/dbraw/zinc/95/73/32/990957332.db2.gz GKVDJWMFHMHJBA-HYJLXUOHSA-N 2 2 244.382 2.774 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C/C=C/c1ccccc1 ZINC001308292285 990957340 /nfs/dbraw/zinc/95/73/40/990957340.db2.gz GKVDJWMFHMHJBA-HYJLXUOHSA-N 2 2 244.382 2.774 20 0 BFADLP C[C@H]1C[C@H]([N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC001258161823 991055523 /nfs/dbraw/zinc/05/55/23/991055523.db2.gz FROAIYMXOXMNEM-NHAGDIPZSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H]1C[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC001258161823 991055529 /nfs/dbraw/zinc/05/55/29/991055529.db2.gz FROAIYMXOXMNEM-NHAGDIPZSA-N 2 2 238.419 2.837 20 0 BFADLP CC[N@H+]([C@H](C)CCSC)C1CC[NH+](C)CC1 ZINC001258220860 991143003 /nfs/dbraw/zinc/14/30/03/991143003.db2.gz ZREZIPDTSLRUDL-GFCCVEGCSA-N 2 2 244.448 2.544 20 0 BFADLP CC[N@@H+]([C@H](C)CCSC)C1CC[NH+](C)CC1 ZINC001258220860 991143011 /nfs/dbraw/zinc/14/30/11/991143011.db2.gz ZREZIPDTSLRUDL-GFCCVEGCSA-N 2 2 244.448 2.544 20 0 BFADLP CCCCC(CCCC)[NH2+]CC1C[NH+](C)C1 ZINC001258380897 991336553 /nfs/dbraw/zinc/33/65/53/991336553.db2.gz OWLPDXMGDOLZGW-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CCCCC[C@H](CC)[NH2+]CCc1[nH+]ccn1C ZINC001258437389 991374354 /nfs/dbraw/zinc/37/43/54/991374354.db2.gz ZGYGLTXLROAOGY-ZDUSSCGKSA-N 2 2 237.391 2.911 20 0 BFADLP Cc1[nH+]c2c(n1[C@@H]1CCC(C)(C)C1)CC[NH2+]CC2 ZINC001258599600 991503402 /nfs/dbraw/zinc/50/34/02/991503402.db2.gz AJCUGCBHPJXUOD-GFCCVEGCSA-N 2 2 247.386 2.631 20 0 BFADLP CCCCC[C@@H](CCC)[NH2+]CC1C[NH+](C)C1 ZINC001258664549 991605555 /nfs/dbraw/zinc/60/55/55/991605555.db2.gz LVZFYFITZZBZLO-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC001258815432 991827836 /nfs/dbraw/zinc/82/78/36/991827836.db2.gz WMTXWCBLCIFAET-IHRRRGAJSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC001258815432 991827841 /nfs/dbraw/zinc/82/78/41/991827841.db2.gz WMTXWCBLCIFAET-IHRRRGAJSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C1 ZINC001258826202 991852162 /nfs/dbraw/zinc/85/21/62/991852162.db2.gz BQEJNPMBKZHMRI-QPSCCSFWSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C1 ZINC001258826202 991852164 /nfs/dbraw/zinc/85/21/64/991852164.db2.gz BQEJNPMBKZHMRI-QPSCCSFWSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C1 ZINC001258826202 991852173 /nfs/dbraw/zinc/85/21/73/991852173.db2.gz BQEJNPMBKZHMRI-QPSCCSFWSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)C1 ZINC001258826202 991852177 /nfs/dbraw/zinc/85/21/77/991852177.db2.gz BQEJNPMBKZHMRI-QPSCCSFWSA-N 2 2 236.403 2.591 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001319623726 991912597 /nfs/dbraw/zinc/91/25/97/991912597.db2.gz XDDGYHJZCQDTPL-OLZOCXBDSA-N 2 2 233.359 2.675 20 0 BFADLP FC(F)CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001262206779 992801689 /nfs/dbraw/zinc/80/16/89/992801689.db2.gz LDTUEGSDMCLGKA-VXGBXAGGSA-N 2 2 246.345 2.638 20 0 BFADLP FC(F)CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001262206779 992801692 /nfs/dbraw/zinc/80/16/92/992801692.db2.gz LDTUEGSDMCLGKA-VXGBXAGGSA-N 2 2 246.345 2.638 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001262221482 992812181 /nfs/dbraw/zinc/81/21/81/992812181.db2.gz RYBMRKUFGAAIFZ-RRFJBIMHSA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001262221482 992812185 /nfs/dbraw/zinc/81/21/85/992812185.db2.gz RYBMRKUFGAAIFZ-RRFJBIMHSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001262221482 992812187 /nfs/dbraw/zinc/81/21/87/992812187.db2.gz RYBMRKUFGAAIFZ-RRFJBIMHSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001262221482 992812194 /nfs/dbraw/zinc/81/21/94/992812194.db2.gz RYBMRKUFGAAIFZ-RRFJBIMHSA-N 2 2 236.403 2.593 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000381373193 993388715 /nfs/dbraw/zinc/38/87/15/993388715.db2.gz NDPRCOSFHLIUPU-IUODEOHRSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000381373193 993388721 /nfs/dbraw/zinc/38/87/21/993388721.db2.gz NDPRCOSFHLIUPU-IUODEOHRSA-N 2 2 232.371 2.561 20 0 BFADLP CCC([NH3+])(CC)C[NH2+]Cc1cccc(C)c1F ZINC001577109606 993505017 /nfs/dbraw/zinc/50/50/17/993505017.db2.gz NGHZVOGTGMSQEX-UHFFFAOYSA-N 2 2 238.350 2.741 20 0 BFADLP Cn1c[nH+]cc1C1CC[NH+](CC2=CCCC2)CC1 ZINC001308166368 995584818 /nfs/dbraw/zinc/58/48/18/995584818.db2.gz KDXUHNKXZDTNAN-UHFFFAOYSA-N 2 2 245.370 2.710 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000310027450 168316351 /nfs/dbraw/zinc/31/63/51/168316351.db2.gz QALRSKAWBOORCD-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000310027450 168316353 /nfs/dbraw/zinc/31/63/53/168316353.db2.gz QALRSKAWBOORCD-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cc2ccccc2[nH+]c1NCCCC[NH3+] ZINC000063105505 349506035 /nfs/dbraw/zinc/50/60/35/349506035.db2.gz SEBVAJAISXBTIN-UHFFFAOYSA-N 2 2 229.327 2.694 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000422942611 398159746 /nfs/dbraw/zinc/15/97/46/398159746.db2.gz JJTZSTZPAZTEPI-DOMZBBRYSA-N 2 2 244.382 2.751 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000335550935 178040210 /nfs/dbraw/zinc/04/02/10/178040210.db2.gz QVYSJYSRTXKBKL-MFKMUULPSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000335550935 178040212 /nfs/dbraw/zinc/04/02/12/178040212.db2.gz QVYSJYSRTXKBKL-MFKMUULPSA-N 2 2 238.400 2.629 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000533361055 398187682 /nfs/dbraw/zinc/18/76/82/398187682.db2.gz WZSAQJYAJJFWTP-BFHYXJOUSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C2C[C@H](C)C[C@@H](C)C2)C1 ZINC000533361055 398187687 /nfs/dbraw/zinc/18/76/87/398187687.db2.gz WZSAQJYAJJFWTP-BFHYXJOUSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CCCC[C@H]1[N@H+](C)CCCn1cc[nH+]c1 ZINC000119969183 398197111 /nfs/dbraw/zinc/19/71/11/398197111.db2.gz CQZNKVGAQROQEE-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CCCC[C@H]1[N@@H+](C)CCCn1cc[nH+]c1 ZINC000119969183 398197115 /nfs/dbraw/zinc/19/71/15/398197115.db2.gz CQZNKVGAQROQEE-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H]1CCCC[C@@H]1[N@H+](C)CCCn1cc[nH+]c1 ZINC000119969043 398197214 /nfs/dbraw/zinc/19/72/14/398197214.db2.gz CQZNKVGAQROQEE-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H]1CCCC[C@@H]1[N@@H+](C)CCCn1cc[nH+]c1 ZINC000119969043 398197220 /nfs/dbraw/zinc/19/72/20/398197220.db2.gz CQZNKVGAQROQEE-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000386651448 398214736 /nfs/dbraw/zinc/21/47/36/398214736.db2.gz QKRLCQDGBXVJPD-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000386651448 398214739 /nfs/dbraw/zinc/21/47/39/398214739.db2.gz QKRLCQDGBXVJPD-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414127473 398217608 /nfs/dbraw/zinc/21/76/08/398217608.db2.gz PWQJDPRDUYIEAL-OCCSQVGLSA-N 2 2 237.391 2.767 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414127474 398217638 /nfs/dbraw/zinc/21/76/38/398217638.db2.gz PWQJDPRDUYIEAL-TZMCWYRMSA-N 2 2 237.391 2.767 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)c1ccccc1 ZINC000386512510 398210697 /nfs/dbraw/zinc/21/06/97/398210697.db2.gz CDWHPCQONRPVSK-OAHLLOKOSA-N 2 2 246.398 2.648 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC(C)(C)c1ccccc1 ZINC000386512510 398210702 /nfs/dbraw/zinc/21/07/02/398210702.db2.gz CDWHPCQONRPVSK-OAHLLOKOSA-N 2 2 246.398 2.648 20 0 BFADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)[C@H]2CCC[C@H]21 ZINC000339714029 187329652 /nfs/dbraw/zinc/32/96/52/187329652.db2.gz ADRVZMCICOYTOC-KGLIPLIRSA-N 2 2 247.386 2.784 20 0 BFADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)[C@H]2CCC[C@H]21 ZINC000339714029 187329653 /nfs/dbraw/zinc/32/96/53/187329653.db2.gz ADRVZMCICOYTOC-KGLIPLIRSA-N 2 2 247.386 2.784 20 0 BFADLP Cc1cc(NCC[NH2+]C2CCCCCC2)nc[nH+]1 ZINC000130131389 178161593 /nfs/dbraw/zinc/16/15/93/178161593.db2.gz YXESOQRUKRDDQV-UHFFFAOYSA-N 2 2 248.374 2.509 20 0 BFADLP CC[C@@H](C)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000421392621 192327834 /nfs/dbraw/zinc/32/78/34/192327834.db2.gz XULNIPXVCRLAEM-LLVKDONJSA-N 2 2 231.343 2.778 20 0 BFADLP CC[C@H](C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000421394059 192328930 /nfs/dbraw/zinc/32/89/30/192328930.db2.gz ZCLFRAWVGGXJCG-LBPRGKRZSA-N 2 2 220.360 2.958 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)o1 ZINC000037266993 178222061 /nfs/dbraw/zinc/22/20/61/178222061.db2.gz ASVDSFGBOYYAIU-LLVKDONJSA-N 2 2 236.359 2.641 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cs1 ZINC000294208935 178227154 /nfs/dbraw/zinc/22/71/54/178227154.db2.gz MKXBCCZXYZUPQD-YPMHNXCESA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cs1 ZINC000294208935 178227156 /nfs/dbraw/zinc/22/71/56/178227156.db2.gz MKXBCCZXYZUPQD-YPMHNXCESA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000037158388 178232244 /nfs/dbraw/zinc/23/22/44/178232244.db2.gz BDEPPFDOOZSTIG-ZYHUDNBSSA-N 2 2 247.342 2.832 20 0 BFADLP Cc1cc[nH+]c(NCCc2cccc(C)[nH+]2)c1 ZINC000280493152 538937147 /nfs/dbraw/zinc/93/71/47/538937147.db2.gz ORTVZWIOJIZBEY-UHFFFAOYSA-N 2 2 227.311 2.748 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)c(C)s1 ZINC000041119360 178247996 /nfs/dbraw/zinc/24/79/96/178247996.db2.gz NCWVQDSWPHFTRX-NSHDSACASA-N 2 2 249.383 2.912 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000235530473 178248062 /nfs/dbraw/zinc/24/80/62/178248062.db2.gz SCQYYGNVCCUTHJ-JQWIXIFHSA-N 2 2 238.400 2.768 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CCc2cc[nH+]cc2C)no1 ZINC000290802016 178249464 /nfs/dbraw/zinc/24/94/64/178249464.db2.gz VNZLMOFJDPFGIQ-LBPRGKRZSA-N 2 2 245.326 2.580 20 0 BFADLP Cc1cc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)c(C)s1 ZINC000054764851 178250889 /nfs/dbraw/zinc/25/08/89/178250889.db2.gz MQTYXLYTHZRUHC-VIFPVBQESA-N 2 2 235.356 2.939 20 0 BFADLP CCC(CC)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028347 168361315 /nfs/dbraw/zinc/36/13/15/168361315.db2.gz YDONKYZKSWOHFU-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c(C)n1C ZINC000576600239 365637738 /nfs/dbraw/zinc/63/77/38/365637738.db2.gz WOVJQSPJQDULLF-VIFPVBQESA-N 2 2 249.280 2.549 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cs1 ZINC000381427124 398257375 /nfs/dbraw/zinc/25/73/75/398257375.db2.gz BTBKVMWBDAONOZ-YPMHNXCESA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cs1 ZINC000381427124 398257377 /nfs/dbraw/zinc/25/73/77/398257377.db2.gz BTBKVMWBDAONOZ-YPMHNXCESA-N 2 2 238.400 2.801 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000344359640 136231678 /nfs/dbraw/zinc/23/16/78/136231678.db2.gz PVTRTPYNVWXJHE-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000344359640 136231679 /nfs/dbraw/zinc/23/16/79/136231679.db2.gz PVTRTPYNVWXJHE-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(CC)(CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000386286541 398264233 /nfs/dbraw/zinc/26/42/33/398264233.db2.gz GTUFJLSEWOXACC-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP CCC(CC)(CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000386286541 398264236 /nfs/dbraw/zinc/26/42/36/398264236.db2.gz GTUFJLSEWOXACC-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP CC(C)CC[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179681773 538956083 /nfs/dbraw/zinc/95/60/83/538956083.db2.gz PSCNPLMVWSWADG-UHFFFAOYSA-N 2 2 231.343 2.812 20 0 BFADLP CC(C)CC[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179681773 538956084 /nfs/dbraw/zinc/95/60/84/538956084.db2.gz PSCNPLMVWSWADG-UHFFFAOYSA-N 2 2 231.343 2.812 20 0 BFADLP CCCC[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166886228 361857516 /nfs/dbraw/zinc/85/75/16/361857516.db2.gz ZJKDBMOOLISFPO-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166886228 361857517 /nfs/dbraw/zinc/85/75/17/361857517.db2.gz ZJKDBMOOLISFPO-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188617 342751883 /nfs/dbraw/zinc/75/18/83/342751883.db2.gz ZRPRVDLHTYZOOR-UONOGXRCSA-N 2 2 224.392 2.783 20 0 BFADLP CCCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188617 342751886 /nfs/dbraw/zinc/75/18/86/342751886.db2.gz ZRPRVDLHTYZOOR-UONOGXRCSA-N 2 2 224.392 2.783 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040671844 538972374 /nfs/dbraw/zinc/97/23/74/538972374.db2.gz XPODCRROLRGTBJ-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671844 538972376 /nfs/dbraw/zinc/97/23/76/538972376.db2.gz XPODCRROLRGTBJ-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000040673006 538972620 /nfs/dbraw/zinc/97/26/20/538972620.db2.gz MXDQNWRGFRNHGV-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000040673006 538972622 /nfs/dbraw/zinc/97/26/22/538972622.db2.gz MXDQNWRGFRNHGV-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672358 538973138 /nfs/dbraw/zinc/97/31/38/538973138.db2.gz RMTQHJHFSQQGSI-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672358 538973140 /nfs/dbraw/zinc/97/31/40/538973140.db2.gz RMTQHJHFSQQGSI-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C[NH3+])Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000630052388 361920996 /nfs/dbraw/zinc/92/09/96/361920996.db2.gz IYHVZPXICXKDPL-GFCCVEGCSA-N 2 2 243.354 2.615 20 0 BFADLP C[C@@H]1C[C@H](c2ccc(-c3[nH+]ccn3C)cc2)C[NH2+]1 ZINC000630053277 361923831 /nfs/dbraw/zinc/92/38/31/361923831.db2.gz RGSKJTGRZLYSSX-RISCZKNCSA-N 2 2 241.338 2.553 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000381524662 539003110 /nfs/dbraw/zinc/00/31/10/539003110.db2.gz WDDWZKFYNPDICK-UONOGXRCSA-N 2 2 226.408 2.600 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000381524662 539003111 /nfs/dbraw/zinc/00/31/11/539003111.db2.gz WDDWZKFYNPDICK-UONOGXRCSA-N 2 2 226.408 2.600 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000381388928 538999969 /nfs/dbraw/zinc/99/99/69/538999969.db2.gz NNSRAJQBNXYZNE-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000381388928 538999970 /nfs/dbraw/zinc/99/99/70/538999970.db2.gz NNSRAJQBNXYZNE-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[NH2+]C1(C[NH+](C)C)CCC1)C(C)(C)C ZINC000381451286 539000501 /nfs/dbraw/zinc/00/05/01/539000501.db2.gz HIPNRMPLEHBBGD-GFCCVEGCSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[NH+](CC(C)C)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000062948765 539017161 /nfs/dbraw/zinc/01/71/61/539017161.db2.gz ZIHKSLLNWOUPHT-UONOGXRCSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000013717586 342870964 /nfs/dbraw/zinc/87/09/64/342870964.db2.gz HALQVQCSRLGHEY-AWEZNQCLSA-N 2 2 243.354 2.667 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000562426306 323019542 /nfs/dbraw/zinc/01/95/42/323019542.db2.gz LVEKFVPNQBRZOJ-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000562426306 323019543 /nfs/dbraw/zinc/01/95/43/323019543.db2.gz LVEKFVPNQBRZOJ-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@@H]2F)c[nH+]1 ZINC000354666432 398329693 /nfs/dbraw/zinc/32/96/93/398329693.db2.gz ZODRTJKNHPOJJY-KBPBESRZSA-N 2 2 236.334 2.803 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000116382438 398333552 /nfs/dbraw/zinc/33/35/52/398333552.db2.gz DRLGDENCJGYVBI-MRXNPFEDSA-N 2 2 246.398 2.693 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313261843 259332033 /nfs/dbraw/zinc/33/20/33/259332033.db2.gz JSSXGVGWBHVSTI-OCCSQVGLSA-N 2 2 247.386 2.545 20 0 BFADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000313262250 259332040 /nfs/dbraw/zinc/33/20/40/259332040.db2.gz BHOMVTRNBYGXQI-HNNXBMFYSA-N 2 2 243.354 2.704 20 0 BFADLP CCC1CCC([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313276186 259332765 /nfs/dbraw/zinc/33/27/65/259332765.db2.gz XMMPKOOBKONZKX-UHFFFAOYSA-N 2 2 235.375 2.521 20 0 BFADLP C[C@H](F)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000351760331 136252524 /nfs/dbraw/zinc/25/25/24/136252524.db2.gz UIGMZNPBPRLCDC-FRRDWIJNSA-N 2 2 239.338 2.514 20 0 BFADLP C[C@H](F)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000351760331 136252525 /nfs/dbraw/zinc/25/25/25/136252525.db2.gz UIGMZNPBPRLCDC-FRRDWIJNSA-N 2 2 239.338 2.514 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)c(C)s1 ZINC000562747852 323029500 /nfs/dbraw/zinc/02/95/00/323029500.db2.gz CFJAKSFAIXYYCA-CYBMUJFWSA-N 2 2 238.400 2.597 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c(C)s1 ZINC000562750825 323029672 /nfs/dbraw/zinc/02/96/72/323029672.db2.gz VUFZKQNXDOTIHO-GWCFXTLKSA-N 2 2 238.400 2.595 20 0 BFADLP Cc1ccc2c(c1)C[NH+](CC[C@H]1CCC[N@H+]1C)C2 ZINC000361593877 187218627 /nfs/dbraw/zinc/21/86/27/187218627.db2.gz KDVLIQCTXBOAEC-MRXNPFEDSA-N 2 2 244.382 2.795 20 0 BFADLP Cc1ccc2c(c1)C[NH+](CC[C@H]1CCC[N@@H+]1C)C2 ZINC000361593877 187218629 /nfs/dbraw/zinc/21/86/29/187218629.db2.gz KDVLIQCTXBOAEC-MRXNPFEDSA-N 2 2 244.382 2.795 20 0 BFADLP Cc1ccc2c(c1)C[N@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000361593877 187218630 /nfs/dbraw/zinc/21/86/30/187218630.db2.gz KDVLIQCTXBOAEC-MRXNPFEDSA-N 2 2 244.382 2.795 20 0 BFADLP Cc1ccc2c(c1)C[N@@H+](CC[C@H]1CCC[NH+]1C)C2 ZINC000361593877 187218632 /nfs/dbraw/zinc/21/86/32/187218632.db2.gz KDVLIQCTXBOAEC-MRXNPFEDSA-N 2 2 244.382 2.795 20 0 BFADLP CCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000400383980 529654419 /nfs/dbraw/zinc/65/44/19/529654419.db2.gz XRHVALRKMFTSFB-GWCFXTLKSA-N 2 2 238.400 2.541 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304393271 187225269 /nfs/dbraw/zinc/22/52/69/187225269.db2.gz ZAMLTTSVJKDKHR-CQSZACIVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](CCC(C)C)C1CC1 ZINC000304393271 187225271 /nfs/dbraw/zinc/22/52/71/187225271.db2.gz ZAMLTTSVJKDKHR-CQSZACIVSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000037228680 187230035 /nfs/dbraw/zinc/23/00/35/187230035.db2.gz AUCVDCVVSMNGJH-CQSZACIVSA-N 2 2 232.371 2.741 20 0 BFADLP CC1(C)CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000129510468 343177850 /nfs/dbraw/zinc/17/78/50/343177850.db2.gz KLOKZIVCXHBSQV-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP C[NH2+]C[C@H](C)CNc1[nH+]c2ccccc2cc1C ZINC000129561431 343178080 /nfs/dbraw/zinc/17/80/80/343178080.db2.gz ZRNGMCMNAVVDKL-NSHDSACASA-N 2 2 243.354 2.811 20 0 BFADLP C[C@@H]1C[C@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000625275767 343215275 /nfs/dbraw/zinc/21/52/75/343215275.db2.gz KHOXDNPSSSLIJE-OLZOCXBDSA-N 2 2 245.370 2.614 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccccc21 ZINC000037157963 343337344 /nfs/dbraw/zinc/33/73/44/343337344.db2.gz DBVKTDBVHBQLOC-SWLSCSKDSA-N 2 2 241.338 2.549 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000037158336 343337446 /nfs/dbraw/zinc/33/74/46/343337446.db2.gz XMHFUNZDCNVFBI-RYUDHWBXSA-N 2 2 247.317 2.762 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCc2ccccc21 ZINC000037157965 343337474 /nfs/dbraw/zinc/33/74/74/343337474.db2.gz DBVKTDBVHBQLOC-IUODEOHRSA-N 2 2 241.338 2.549 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@@H]2C(F)F)c[nH+]1 ZINC000348999930 136314926 /nfs/dbraw/zinc/31/49/26/136314926.db2.gz GGTIBPBNSQXYML-NWDGAFQWSA-N 2 2 240.297 2.566 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H]1C(F)F ZINC000348999997 136314957 /nfs/dbraw/zinc/31/49/57/136314957.db2.gz GPINFCFZULUBRB-VXGBXAGGSA-N 2 2 240.297 2.566 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2C[C@@H]2C(F)F)c[nH+]1 ZINC000348999931 136315009 /nfs/dbraw/zinc/31/50/09/136315009.db2.gz GGTIBPBNSQXYML-RYUDHWBXSA-N 2 2 240.297 2.566 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2C[C@H]2C(F)F)c[nH+]1 ZINC000348999929 136315037 /nfs/dbraw/zinc/31/50/37/136315037.db2.gz GGTIBPBNSQXYML-NEPJUHHUSA-N 2 2 240.297 2.566 20 0 BFADLP C[C@H](C[NH2+][C@H](c1ccccc1)C1CC1)[NH+](C)C ZINC000041075798 343414716 /nfs/dbraw/zinc/41/47/16/343414716.db2.gz VBRKTZNXCIOBID-IUODEOHRSA-N 2 2 232.371 2.677 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349295449 136338081 /nfs/dbraw/zinc/33/80/81/136338081.db2.gz JKSHKFVHJUUBLR-ZIAGYGMSSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000349295449 136338082 /nfs/dbraw/zinc/33/80/82/136338082.db2.gz JKSHKFVHJUUBLR-ZIAGYGMSSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@H]1CCC[C@@H](C[N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000349336955 136342205 /nfs/dbraw/zinc/34/22/05/136342205.db2.gz YNNWRNPJVHBSPM-UONOGXRCSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@H]1CCC[C@@H](C[N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000349336955 136342206 /nfs/dbraw/zinc/34/22/06/136342206.db2.gz YNNWRNPJVHBSPM-UONOGXRCSA-N 2 2 236.403 2.593 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000584095304 343538002 /nfs/dbraw/zinc/53/80/02/343538002.db2.gz QQVQFRXWWZPBQN-NEPJUHHUSA-N 2 2 226.408 2.883 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000584095304 343538005 /nfs/dbraw/zinc/53/80/05/343538005.db2.gz QQVQFRXWWZPBQN-NEPJUHHUSA-N 2 2 226.408 2.883 20 0 BFADLP c1cn(CCCC[NH2+]C2CCCCC2)c[nH+]1 ZINC000044353247 343498823 /nfs/dbraw/zinc/49/88/23/343498823.db2.gz FYCJWBVIYAKPAZ-UHFFFAOYSA-N 2 2 221.348 2.586 20 0 BFADLP Cc1cccc(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000070975752 343579732 /nfs/dbraw/zinc/57/97/32/343579732.db2.gz KIKBHTCQZFFZNN-INIZCTEOSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1cccc(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000070975752 343579733 /nfs/dbraw/zinc/57/97/33/343579733.db2.gz KIKBHTCQZFFZNN-INIZCTEOSA-N 2 2 246.398 2.957 20 0 BFADLP C[C@@H](CC[NH+](C)C)Nc1ccc2ccccc2[nH+]1 ZINC000049558679 343602499 /nfs/dbraw/zinc/60/24/99/343602499.db2.gz VIIVDJQUCOUJSK-LBPRGKRZSA-N 2 2 243.354 2.987 20 0 BFADLP C[C@H]1CCCC[C@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434229 343734762 /nfs/dbraw/zinc/73/47/62/343734762.db2.gz KHFPVLKXCRSABZ-RYUDHWBXSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@H]1CCCC[C@H]1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434229 343734764 /nfs/dbraw/zinc/73/47/64/343734764.db2.gz KHFPVLKXCRSABZ-RYUDHWBXSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@H]1CCC[C@H](CC[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625438853 343740645 /nfs/dbraw/zinc/74/06/45/343740645.db2.gz SPCKRUGWZYTQNN-QWHCGFSZSA-N 2 2 247.386 2.984 20 0 BFADLP C[C@H]1CCC[C@H](CC[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625438853 343740646 /nfs/dbraw/zinc/74/06/46/343740646.db2.gz SPCKRUGWZYTQNN-QWHCGFSZSA-N 2 2 247.386 2.984 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348090603 537830745 /nfs/dbraw/zinc/83/07/45/537830745.db2.gz WOZGPPUYUWRFID-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)[NH+](C)C ZINC000348109919 537840317 /nfs/dbraw/zinc/84/03/17/537840317.db2.gz UXMQAUDPUBQPBH-QLFBSQMISA-N 2 2 238.419 2.741 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(C)cc2)n1C ZINC000573459962 344274087 /nfs/dbraw/zinc/27/40/87/344274087.db2.gz RJVCKGFKJQITIP-LBPRGKRZSA-N 2 2 243.354 2.888 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCn1cc[nH+]c1 ZINC000131719127 344325684 /nfs/dbraw/zinc/32/56/84/344325684.db2.gz BVHCHKQULQMKEE-RDBSUJKOSA-N 2 2 233.359 2.536 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCn1cc[nH+]c1 ZINC000131719127 344325686 /nfs/dbraw/zinc/32/56/86/344325686.db2.gz BVHCHKQULQMKEE-RDBSUJKOSA-N 2 2 233.359 2.536 20 0 BFADLP CCCCc1cc(N[C@H]2CC[C@H]([NH3+])CC2)nc[nH+]1 ZINC000634813177 344397910 /nfs/dbraw/zinc/39/79/10/344397910.db2.gz BBVQSBHJCJQLAU-HAQNSBGRSA-N 2 2 248.374 2.501 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H](C)c1ccccc1 ZINC000624100898 344539138 /nfs/dbraw/zinc/53/91/38/344539138.db2.gz UUQGKUUQITUMAM-IIAWOOMASA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000624100898 344539142 /nfs/dbraw/zinc/53/91/42/344539142.db2.gz UUQGKUUQITUMAM-IIAWOOMASA-N 2 2 246.398 2.862 20 0 BFADLP CCC(CC)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000019231543 259378108 /nfs/dbraw/zinc/37/81/08/259378108.db2.gz HOVYYARRSGCINJ-AWEZNQCLSA-N 2 2 228.424 2.989 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000300409897 530057773 /nfs/dbraw/zinc/05/77/73/530057773.db2.gz CJBSIFZHYZASRH-SOUVJXGZSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000300409897 530057774 /nfs/dbraw/zinc/05/77/74/530057774.db2.gz CJBSIFZHYZASRH-SOUVJXGZSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153703104 344956361 /nfs/dbraw/zinc/95/63/61/344956361.db2.gz GUPDJSJRJQFJAB-QWHCGFSZSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153703104 344956363 /nfs/dbraw/zinc/95/63/63/344956363.db2.gz GUPDJSJRJQFJAB-QWHCGFSZSA-N 2 2 224.392 2.637 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000309994335 323082846 /nfs/dbraw/zinc/08/28/46/323082846.db2.gz BSDZBONMWCMWKE-CQSZACIVSA-N 2 2 224.392 2.807 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC=C(C)CC1 ZINC000309994335 323082847 /nfs/dbraw/zinc/08/28/47/323082847.db2.gz BSDZBONMWCMWKE-CQSZACIVSA-N 2 2 224.392 2.807 20 0 BFADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154556867 345042112 /nfs/dbraw/zinc/04/21/12/345042112.db2.gz MRPACSCVDUIIQG-NOLJZWGESA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154556867 345042113 /nfs/dbraw/zinc/04/21/13/345042113.db2.gz MRPACSCVDUIIQG-NOLJZWGESA-N 2 2 244.382 2.604 20 0 BFADLP CCCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156481774 345167154 /nfs/dbraw/zinc/16/71/54/345167154.db2.gz UBSROFVAKHINHS-CHWSQXEVSA-N 2 2 221.348 2.566 20 0 BFADLP CCCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156481774 345167157 /nfs/dbraw/zinc/16/71/57/345167157.db2.gz UBSROFVAKHINHS-CHWSQXEVSA-N 2 2 221.348 2.566 20 0 BFADLP C([N@@H+]1CCC[C@@H]1C1CCCCC1)C12CC(C1)C[NH2+]2 ZINC000634991957 345179113 /nfs/dbraw/zinc/17/91/13/345179113.db2.gz XROLOPBQTMNVSK-OGVSOVDVSA-N 2 2 248.414 2.783 20 0 BFADLP C([N@H+]1CCC[C@@H]1C1CCCCC1)C12CC(C1)C[NH2+]2 ZINC000634991957 345179115 /nfs/dbraw/zinc/17/91/15/345179115.db2.gz XROLOPBQTMNVSK-OGVSOVDVSA-N 2 2 248.414 2.783 20 0 BFADLP CC[C@H](C)[C@@H](C)[N@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992254 345180385 /nfs/dbraw/zinc/18/03/85/345180385.db2.gz JIMBCXUFGCLTEV-HJZMNPPUSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H](C)[C@@H](C)[N@@H+](CC12CC(C1)C[NH2+]2)C1CC1 ZINC000634992254 345180386 /nfs/dbraw/zinc/18/03/86/345180386.db2.gz JIMBCXUFGCLTEV-HJZMNPPUSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)C[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992373 345180472 /nfs/dbraw/zinc/18/04/72/345180472.db2.gz MQTSBEUFVMRTRS-OWYJLGKBSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)(C)C[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992373 345180474 /nfs/dbraw/zinc/18/04/74/345180474.db2.gz MQTSBEUFVMRTRS-OWYJLGKBSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C1CCCCC1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634994582 345181650 /nfs/dbraw/zinc/18/16/50/345181650.db2.gz HWPGRXKHBFDCPP-DNOWBOINSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C1CCCCC1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634994582 345181653 /nfs/dbraw/zinc/18/16/53/345181653.db2.gz HWPGRXKHBFDCPP-DNOWBOINSA-N 2 2 236.403 2.639 20 0 BFADLP CCCCC[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992784 345188192 /nfs/dbraw/zinc/18/81/92/345188192.db2.gz AQMHWLZJMDTTLW-SHARSMKWSA-N 2 2 236.403 2.783 20 0 BFADLP CCCCC[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992784 345188196 /nfs/dbraw/zinc/18/81/96/345188196.db2.gz AQMHWLZJMDTTLW-SHARSMKWSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156321639 345149256 /nfs/dbraw/zinc/14/92/56/345149256.db2.gz QYARKOCRDMHTEX-CQSZACIVSA-N 2 2 234.343 2.581 20 0 BFADLP CC(C)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156321639 345149261 /nfs/dbraw/zinc/14/92/61/345149261.db2.gz QYARKOCRDMHTEX-CQSZACIVSA-N 2 2 234.343 2.581 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000235396742 537892206 /nfs/dbraw/zinc/89/22/06/537892206.db2.gz BAFVLBIWZRQYKX-NWANDNLSSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000235396742 537892212 /nfs/dbraw/zinc/89/22/12/537892212.db2.gz BAFVLBIWZRQYKX-NWANDNLSSA-N 2 2 236.403 2.663 20 0 BFADLP C([N@@H+]1CCC[C@@H](C2CCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000635001778 345201446 /nfs/dbraw/zinc/20/14/46/345201446.db2.gz FWWRRTJYOSKRGT-OGVSOVDVSA-N 2 2 248.414 2.641 20 0 BFADLP C([N@H+]1CCC[C@@H](C2CCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000635001778 345201448 /nfs/dbraw/zinc/20/14/48/345201448.db2.gz FWWRRTJYOSKRGT-OGVSOVDVSA-N 2 2 248.414 2.641 20 0 BFADLP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000635011956 345213940 /nfs/dbraw/zinc/21/39/40/345213940.db2.gz ILOMSHWJFXHPHM-OPQQBVKSSA-N 2 2 242.313 2.552 20 0 BFADLP CCC[C@]1(C)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131548206 345301882 /nfs/dbraw/zinc/30/18/82/345301882.db2.gz KZOMQEANUVMJIJ-CQSZACIVSA-N 2 2 235.375 2.785 20 0 BFADLP CCC[C@]1(C)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131548206 345301884 /nfs/dbraw/zinc/30/18/84/345301884.db2.gz KZOMQEANUVMJIJ-CQSZACIVSA-N 2 2 235.375 2.785 20 0 BFADLP CC[NH+]1CCC([NH2+]Cc2ccsc2C)CC1 ZINC000294191197 345401258 /nfs/dbraw/zinc/40/12/58/345401258.db2.gz QZYNXWFXCGATKG-UHFFFAOYSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cccnc1 ZINC000090846952 345576484 /nfs/dbraw/zinc/57/64/84/345576484.db2.gz SKHYQDGOWNEVHH-ZDUSSCGKSA-N 2 2 241.338 2.678 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000093052534 345655805 /nfs/dbraw/zinc/65/58/05/345655805.db2.gz ZNECSMIRTRBRNK-GOEBONIOSA-N 2 2 248.414 2.795 20 0 BFADLP c1[nH]c(C[NH+]2CCC3(CCCC3)CC2)c[nH+]1 ZINC000093085351 345656945 /nfs/dbraw/zinc/65/69/45/345656945.db2.gz UNDRFESJPULRJV-UHFFFAOYSA-N 2 2 219.332 2.566 20 0 BFADLP CC(C)([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000202208629 345730642 /nfs/dbraw/zinc/73/06/42/345730642.db2.gz JUZDHIULZPRION-UHFFFAOYSA-N 2 2 243.354 2.798 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000251672508 535009989 /nfs/dbraw/zinc/00/99/89/535009989.db2.gz AEFGFYIUIAPLRH-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000251672508 535009992 /nfs/dbraw/zinc/00/99/92/535009992.db2.gz AEFGFYIUIAPLRH-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000249736895 535010574 /nfs/dbraw/zinc/01/05/74/535010574.db2.gz GFPVQQIJGGWEFR-WDNDVIMCSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000249736895 535010578 /nfs/dbraw/zinc/01/05/78/535010578.db2.gz GFPVQQIJGGWEFR-WDNDVIMCSA-N 2 2 226.408 2.741 20 0 BFADLP CC1(C)CC[C@H]([NH2+]C[C@H]([NH3+])c2ccccc2)C1 ZINC000133136220 187360199 /nfs/dbraw/zinc/36/01/99/187360199.db2.gz SHKYDUFXIURSFZ-KBPBESRZSA-N 2 2 232.371 2.855 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000449257809 201852504 /nfs/dbraw/zinc/85/25/04/201852504.db2.gz KHQOXPQENYDIPH-NEPJUHHUSA-N 2 2 235.375 2.612 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000336745193 187310340 /nfs/dbraw/zinc/31/03/40/187310340.db2.gz BBIVNUVGGCYBAI-STQMWFEESA-N 2 2 212.381 2.661 20 0 BFADLP CC(C)C[NH2+][C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000185687456 187310775 /nfs/dbraw/zinc/31/07/75/187310775.db2.gz KVVKGXAJIBNFGR-DZGCQCFKSA-N 2 2 234.387 2.923 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1(C)CC1 ZINC000381459555 345943568 /nfs/dbraw/zinc/94/35/68/345943568.db2.gz KOCXFCMLBXDJCP-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC1(C)CC1 ZINC000381459555 345943571 /nfs/dbraw/zinc/94/35/71/345943571.db2.gz KOCXFCMLBXDJCP-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000019992197 259386992 /nfs/dbraw/zinc/38/69/92/259386992.db2.gz UCBMZECCCFLLOG-UONOGXRCSA-N 2 2 228.424 2.989 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cs1 ZINC000381479448 346031553 /nfs/dbraw/zinc/03/15/53/346031553.db2.gz NKIFWMZNGREPPP-GFCCVEGCSA-N 2 2 238.400 2.803 20 0 BFADLP CC(C)C1CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000531737469 323112204 /nfs/dbraw/zinc/11/22/04/323112204.db2.gz TVTQMGCPKSOLIB-PPWQZUPISA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C1CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000531737469 323112205 /nfs/dbraw/zinc/11/22/05/323112205.db2.gz TVTQMGCPKSOLIB-PPWQZUPISA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000641746752 362672478 /nfs/dbraw/zinc/67/24/78/362672478.db2.gz APPDKEGIZVVVJG-RDBSUJKOSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000641746749 362672574 /nfs/dbraw/zinc/67/25/74/362672574.db2.gz APPDKEGIZVVVJG-HZSPNIEDSA-N 2 2 247.386 2.756 20 0 BFADLP CC[C@H]1CCCC[C@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000628285920 346297826 /nfs/dbraw/zinc/29/78/26/346297826.db2.gz MXXUKUNXFQWHSO-KBPBESRZSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@H]1CCCC[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000628285920 346297830 /nfs/dbraw/zinc/29/78/30/346297830.db2.gz MXXUKUNXFQWHSO-KBPBESRZSA-N 2 2 247.386 2.915 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000628276383 346286869 /nfs/dbraw/zinc/28/68/69/346286869.db2.gz BFUXICZFLFZQPA-KBPBESRZSA-N 2 2 234.387 2.638 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000336409644 187368910 /nfs/dbraw/zinc/36/89/10/187368910.db2.gz CRJWYTFLKAVNOO-CYBMUJFWSA-N 2 2 236.334 2.700 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000336409644 187368911 /nfs/dbraw/zinc/36/89/11/187368911.db2.gz CRJWYTFLKAVNOO-CYBMUJFWSA-N 2 2 236.334 2.700 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000309527648 347093396 /nfs/dbraw/zinc/09/33/96/347093396.db2.gz CSVWWQWLTIEDJD-BFHYXJOUSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309527648 347093398 /nfs/dbraw/zinc/09/33/98/347093398.db2.gz CSVWWQWLTIEDJD-BFHYXJOUSA-N 2 2 226.408 2.883 20 0 BFADLP Cc1cccc(N[C@H](C)C[NH+]2CCCCC2)[nH+]1 ZINC000049502152 179155873 /nfs/dbraw/zinc/15/58/73/179155873.db2.gz IBUKOPACXVCSIA-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP [NH3+][C@]12CCC[C@H]1C[N@H+](C/C=C/c1ccccc1)C2 ZINC000622005020 370655990 /nfs/dbraw/zinc/65/59/90/370655990.db2.gz XWQRBYYPYRCUMT-TWZSPHTKSA-N 2 2 242.366 2.513 20 0 BFADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](C/C=C/c1ccccc1)C2 ZINC000622005020 370655994 /nfs/dbraw/zinc/65/59/94/370655994.db2.gz XWQRBYYPYRCUMT-TWZSPHTKSA-N 2 2 242.366 2.513 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044686659 179182337 /nfs/dbraw/zinc/18/23/37/179182337.db2.gz LZJRBQVWAVGWFP-HIFRSBDPSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044686659 179182338 /nfs/dbraw/zinc/18/23/38/179182338.db2.gz LZJRBQVWAVGWFP-HIFRSBDPSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000037228681 179195321 /nfs/dbraw/zinc/19/53/21/179195321.db2.gz AUCVDCVVSMNGJH-AWEZNQCLSA-N 2 2 232.371 2.741 20 0 BFADLP C[C@H]([NH2+][C@@H](CC[NH3+])C(F)F)C1CCCCC1 ZINC000414983089 323152371 /nfs/dbraw/zinc/15/23/71/323152371.db2.gz BLJINVVOTKIPLW-ONGXEEELSA-N 2 2 234.334 2.527 20 0 BFADLP C[C@@H]([NH2+][C@@H](CC[NH3+])C(F)F)C1CCCCC1 ZINC000414983084 323152374 /nfs/dbraw/zinc/15/23/74/323152374.db2.gz BLJINVVOTKIPLW-KOLCDFICSA-N 2 2 234.334 2.527 20 0 BFADLP c1cn([C@H]2CCC[N@@H+](CC3CCCC3)C2)c[nH+]1 ZINC000591868683 347708407 /nfs/dbraw/zinc/70/84/07/347708407.db2.gz AZWSIASGJPZFMO-AWEZNQCLSA-N 2 2 233.359 2.710 20 0 BFADLP c1cn([C@H]2CCC[N@H+](CC3CCCC3)C2)c[nH+]1 ZINC000591868683 347708409 /nfs/dbraw/zinc/70/84/09/347708409.db2.gz AZWSIASGJPZFMO-AWEZNQCLSA-N 2 2 233.359 2.710 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1ccsc1 ZINC000049182369 323158629 /nfs/dbraw/zinc/15/86/29/323158629.db2.gz HUJWRVMZFPVLLI-GFCCVEGCSA-N 2 2 240.416 2.611 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000531967968 323160065 /nfs/dbraw/zinc/16/00/65/323160065.db2.gz PWUGXQJDVSJLAV-LXTVHRRPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000531967968 323160066 /nfs/dbraw/zinc/16/00/66/323160066.db2.gz PWUGXQJDVSJLAV-LXTVHRRPSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154601503 179320594 /nfs/dbraw/zinc/32/05/94/179320594.db2.gz SGWCFTBQLUFOKR-ZIAGYGMSSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154601503 179320597 /nfs/dbraw/zinc/32/05/97/179320597.db2.gz SGWCFTBQLUFOKR-ZIAGYGMSSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3CC[C@@H](F)C3)c[nH+]c12 ZINC000336493190 179354777 /nfs/dbraw/zinc/35/47/77/179354777.db2.gz IQNATFLDFBFSQN-VXGBXAGGSA-N 2 2 247.317 2.623 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3CC[C@@H]3C)c[nH+]c12 ZINC000336549009 179354974 /nfs/dbraw/zinc/35/49/74/179354974.db2.gz SATNZQOKWLCHGF-GXFFZTMASA-N 2 2 229.327 2.531 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000397812974 362917549 /nfs/dbraw/zinc/91/75/49/362917549.db2.gz ZEDDWJWPZUJBDU-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+](CC1CCC1)C(C)(C)C[NH+]1CCCC1 ZINC000419370953 192129597 /nfs/dbraw/zinc/12/95/97/192129597.db2.gz CLMDSISATRAION-UHFFFAOYSA-N 2 2 224.392 2.593 20 0 BFADLP C[N@@H+](CC1CCC1)C(C)(C)C[NH+]1CCCC1 ZINC000419370953 192129598 /nfs/dbraw/zinc/12/95/98/192129598.db2.gz CLMDSISATRAION-UHFFFAOYSA-N 2 2 224.392 2.593 20 0 BFADLP Cc1ccoc1C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000353144510 179517277 /nfs/dbraw/zinc/51/72/77/179517277.db2.gz VEFZLZOCLFXXAV-UHFFFAOYSA-N 2 2 236.359 2.550 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000082830489 348822515 /nfs/dbraw/zinc/82/25/15/348822515.db2.gz PDICLNYMUBWPEV-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000082830489 348822519 /nfs/dbraw/zinc/82/25/19/348822519.db2.gz PDICLNYMUBWPEV-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000082837371 348831204 /nfs/dbraw/zinc/83/12/04/348831204.db2.gz XUFWAHPYLHPPAH-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000082837371 348831206 /nfs/dbraw/zinc/83/12/06/348831206.db2.gz XUFWAHPYLHPPAH-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000082859336 348855042 /nfs/dbraw/zinc/85/50/42/348855042.db2.gz AEFGFYIUIAPLRH-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000082859336 348855043 /nfs/dbraw/zinc/85/50/43/348855043.db2.gz AEFGFYIUIAPLRH-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP Clc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)s1 ZINC000070600437 490224613 /nfs/dbraw/zinc/22/46/13/490224613.db2.gz CXBOXEFJGQIYLQ-VIFPVBQESA-N 2 2 244.791 2.633 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000070683194 490232247 /nfs/dbraw/zinc/23/22/47/490232247.db2.gz WEKLAXFFFBILCY-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000070683194 490232250 /nfs/dbraw/zinc/23/22/50/490232250.db2.gz WEKLAXFFFBILCY-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000082927453 349265394 /nfs/dbraw/zinc/26/53/94/349265394.db2.gz ZEFVRLZWRPMFFJ-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H](C)C[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000082927453 349265398 /nfs/dbraw/zinc/26/53/98/349265398.db2.gz ZEFVRLZWRPMFFJ-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CCC(CC)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000133374864 191039931 /nfs/dbraw/zinc/03/99/31/191039931.db2.gz MINVBARZARHUBH-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP CCC(CC)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000133374864 191039934 /nfs/dbraw/zinc/03/99/34/191039934.db2.gz MINVBARZARHUBH-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000336322552 180250094 /nfs/dbraw/zinc/25/00/94/180250094.db2.gz DBKICVXGPBEDGF-KGLIPLIRSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000336322552 180250099 /nfs/dbraw/zinc/25/00/99/180250099.db2.gz DBKICVXGPBEDGF-KGLIPLIRSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000336718397 180255097 /nfs/dbraw/zinc/25/50/97/180255097.db2.gz CZNXFOXSWXPUAA-CYBMUJFWSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000336718397 180255099 /nfs/dbraw/zinc/25/50/99/180255099.db2.gz CZNXFOXSWXPUAA-CYBMUJFWSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000336727003 180256332 /nfs/dbraw/zinc/25/63/32/180256332.db2.gz XWOLHWRRZUNVKT-JHJVBQTASA-N 2 2 235.375 2.558 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000336727003 180256335 /nfs/dbraw/zinc/25/63/35/180256335.db2.gz XWOLHWRRZUNVKT-JHJVBQTASA-N 2 2 235.375 2.558 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427885879 191100401 /nfs/dbraw/zinc/10/04/01/191100401.db2.gz NPPQKISADONYMA-STQMWFEESA-N 2 2 235.375 2.612 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427887659 191099658 /nfs/dbraw/zinc/09/96/58/191099658.db2.gz UHUFKHZOGWOZKU-KBPBESRZSA-N 2 2 247.386 2.922 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000070558524 350538182 /nfs/dbraw/zinc/53/81/82/350538182.db2.gz BZBYKPUMCXVPGX-KGLIPLIRSA-N 2 2 224.392 2.641 20 0 BFADLP CCC(CC)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063191665 350575582 /nfs/dbraw/zinc/57/55/82/350575582.db2.gz PZLFEEICRMRDSB-YPMHNXCESA-N 2 2 212.381 2.624 20 0 BFADLP CCC(CC)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063191665 350575584 /nfs/dbraw/zinc/57/55/84/350575584.db2.gz PZLFEEICRMRDSB-YPMHNXCESA-N 2 2 212.381 2.624 20 0 BFADLP C[C@@H](CC1CCC1)[NH2+]CCCCn1cc[nH+]c1 ZINC000129262942 490618115 /nfs/dbraw/zinc/61/81/15/490618115.db2.gz KDRWADGEYCFSNT-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337986892 350660446 /nfs/dbraw/zinc/66/04/46/350660446.db2.gz CNUXQHGQGOJUJL-QLFBSQMISA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337986892 350660450 /nfs/dbraw/zinc/66/04/50/350660450.db2.gz CNUXQHGQGOJUJL-QLFBSQMISA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)=CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052004650 350899134 /nfs/dbraw/zinc/89/91/34/350899134.db2.gz ILLALKNWZYORIV-UHFFFAOYSA-N 2 2 236.403 2.903 20 0 BFADLP C/C=C\C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000623739207 350884150 /nfs/dbraw/zinc/88/41/50/350884150.db2.gz MNFJYNXXZPKPGC-WCQMXNECSA-N 2 2 244.382 2.988 20 0 BFADLP C/C=C\C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000623739207 350884153 /nfs/dbraw/zinc/88/41/53/350884153.db2.gz MNFJYNXXZPKPGC-WCQMXNECSA-N 2 2 244.382 2.988 20 0 BFADLP C/C=C/C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000623739208 350884406 /nfs/dbraw/zinc/88/44/06/350884406.db2.gz MNFJYNXXZPKPGC-YMBFEGSUSA-N 2 2 244.382 2.988 20 0 BFADLP C/C=C/C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000623739208 350884408 /nfs/dbraw/zinc/88/44/08/350884408.db2.gz MNFJYNXXZPKPGC-YMBFEGSUSA-N 2 2 244.382 2.988 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000309629128 191127539 /nfs/dbraw/zinc/12/75/39/191127539.db2.gz QUISSGNUVRLOHQ-MJBXVCDLSA-N 2 2 228.424 2.987 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000222701841 351009489 /nfs/dbraw/zinc/00/94/89/351009489.db2.gz CJBSIFZHYZASRH-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000222701841 351009492 /nfs/dbraw/zinc/00/94/92/351009492.db2.gz CJBSIFZHYZASRH-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP c1[nH+]c2n(c1C[NH2+][C@H]1CC13CCCCC3)CCC2 ZINC000623568944 362996505 /nfs/dbraw/zinc/99/65/05/362996505.db2.gz PCHKGBWETRXONU-ZDUSSCGKSA-N 2 2 245.370 2.642 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC1CCC1 ZINC000252713035 538100120 /nfs/dbraw/zinc/10/01/20/538100120.db2.gz OCKFOWURKPXOAV-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CC1CCC1 ZINC000252713035 538100123 /nfs/dbraw/zinc/10/01/23/538100123.db2.gz OCKFOWURKPXOAV-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCC(C)(C)CC1)[NH+](C)C ZINC000083435612 351326550 /nfs/dbraw/zinc/32/65/50/351326550.db2.gz MGOYPVFFTFPVGL-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000252713833 538100270 /nfs/dbraw/zinc/10/02/70/538100270.db2.gz QHIAHHXEFOQQEQ-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnccc1C ZINC000271368351 351414154 /nfs/dbraw/zinc/41/41/54/351414154.db2.gz GISLUZAWOPKNMN-UONOGXRCSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cnccc1C ZINC000271368351 351414158 /nfs/dbraw/zinc/41/41/58/351414158.db2.gz GISLUZAWOPKNMN-UONOGXRCSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000252713833 538100274 /nfs/dbraw/zinc/10/02/74/538100274.db2.gz QHIAHHXEFOQQEQ-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]([C@@H](C)C(C)C)C1CC1 ZINC000414671314 351578690 /nfs/dbraw/zinc/57/86/90/351578690.db2.gz NSEDCECLHOUZHL-QWHCGFSZSA-N 2 2 226.408 2.869 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]([C@@H](C)C(C)C)C1CC1 ZINC000414671314 351578692 /nfs/dbraw/zinc/57/86/92/351578692.db2.gz NSEDCECLHOUZHL-QWHCGFSZSA-N 2 2 226.408 2.869 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000340110333 351905222 /nfs/dbraw/zinc/90/52/22/351905222.db2.gz XLWNSXZXDQLKIW-OCCSQVGLSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000340110333 351905224 /nfs/dbraw/zinc/90/52/24/351905224.db2.gz XLWNSXZXDQLKIW-OCCSQVGLSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCCC12CCC2)C1CC1 ZINC000394879307 352509246 /nfs/dbraw/zinc/50/92/46/352509246.db2.gz YWZNHBQZSYUEBY-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCCC12CCC2)C1CC1 ZINC000394879307 352509249 /nfs/dbraw/zinc/50/92/49/352509249.db2.gz YWZNHBQZSYUEBY-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000044540612 352654689 /nfs/dbraw/zinc/65/46/89/352654689.db2.gz SGLIZCJUJTZUOL-ZDUSSCGKSA-N 2 2 238.400 2.678 20 0 BFADLP Cc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000044540612 352654691 /nfs/dbraw/zinc/65/46/91/352654691.db2.gz SGLIZCJUJTZUOL-ZDUSSCGKSA-N 2 2 238.400 2.678 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000043324596 352636637 /nfs/dbraw/zinc/63/66/37/352636637.db2.gz OPIXWDLHEZGHHE-GWCFXTLKSA-N 2 2 238.762 2.743 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000043326700 352637228 /nfs/dbraw/zinc/63/72/28/352637228.db2.gz TWSVTXACALQMDG-UONOGXRCSA-N 2 2 232.371 2.706 20 0 BFADLP C[NH2+]C[C@@H](C)CNc1[nH+]ccc2ccc(F)cc21 ZINC000420210075 192176307 /nfs/dbraw/zinc/17/63/07/192176307.db2.gz SFRYLXABYJNHCL-SNVBAGLBSA-N 2 2 247.317 2.641 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000164514390 353066190 /nfs/dbraw/zinc/06/61/90/353066190.db2.gz LVEGSBFYOPVBHG-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000164514390 353066192 /nfs/dbraw/zinc/06/61/92/353066192.db2.gz LVEGSBFYOPVBHG-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+]C1CCC(=C2CCC2)CC1)[NH+](C)C ZINC000638864718 353038442 /nfs/dbraw/zinc/03/84/42/353038442.db2.gz CCIAOEWWYFFTLK-LBPRGKRZSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)([NH3+])C[NH+]1CCC(c2ccsc2)CC1 ZINC000261780254 535198262 /nfs/dbraw/zinc/19/82/62/535198262.db2.gz FHWICJMORXMJKW-UHFFFAOYSA-N 2 2 238.400 2.665 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000261921642 535198883 /nfs/dbraw/zinc/19/88/83/535198883.db2.gz KNGSIOQZOYPXOG-OAHLLOKOSA-N 2 2 246.398 2.678 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC000261921642 535198888 /nfs/dbraw/zinc/19/88/88/535198888.db2.gz KNGSIOQZOYPXOG-OAHLLOKOSA-N 2 2 246.398 2.678 20 0 BFADLP CC(C)[N@H+](Cc1ccco1)Cc1cc[nH+]c(N)c1 ZINC000298055125 188040466 /nfs/dbraw/zinc/04/04/66/188040466.db2.gz IDNMLOWSSHXTIM-UHFFFAOYSA-N 2 2 245.326 2.667 20 0 BFADLP CC(C)[N@@H+](Cc1ccco1)Cc1cc[nH+]c(N)c1 ZINC000298055125 188040468 /nfs/dbraw/zinc/04/04/68/188040468.db2.gz IDNMLOWSSHXTIM-UHFFFAOYSA-N 2 2 245.326 2.667 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043326134 188042823 /nfs/dbraw/zinc/04/28/23/188042823.db2.gz AUROCZGUZLNTHN-CABCVRRESA-N 2 2 232.371 2.725 20 0 BFADLP CC(C)[N@@H+](C)C[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000311040707 188003582 /nfs/dbraw/zinc/00/35/82/188003582.db2.gz GMXYKQKVDBMPOM-NSHDSACASA-N 2 2 246.358 2.704 20 0 BFADLP CC(C)[N@H+](C)C[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000311040707 188003584 /nfs/dbraw/zinc/00/35/84/188003584.db2.gz GMXYKQKVDBMPOM-NSHDSACASA-N 2 2 246.358 2.704 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCCCC[C@@H]1C ZINC000083949154 538112407 /nfs/dbraw/zinc/11/24/07/538112407.db2.gz LYAOFXDZNCAEDA-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000304369134 188250973 /nfs/dbraw/zinc/25/09/73/188250973.db2.gz FRHRXIREBVWQQY-JSGCOSHPSA-N 2 2 220.360 2.711 20 0 BFADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000232741708 353320080 /nfs/dbraw/zinc/32/00/80/353320080.db2.gz PWLMRPRIEVVEGX-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000232741708 353320083 /nfs/dbraw/zinc/32/00/83/353320083.db2.gz PWLMRPRIEVVEGX-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C1CCC2(CC2)CC1 ZINC000336661422 188339650 /nfs/dbraw/zinc/33/96/50/188339650.db2.gz JZDSXDHKQLBPCU-UHFFFAOYSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C1CCC2(CC2)CC1 ZINC000336661422 188339652 /nfs/dbraw/zinc/33/96/52/188339652.db2.gz JZDSXDHKQLBPCU-UHFFFAOYSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)c1cccc(C)c1 ZINC000336683813 188341928 /nfs/dbraw/zinc/34/19/28/188341928.db2.gz CLIKUDXAYQBURJ-HIFRSBDPSA-N 2 2 234.387 2.986 20 0 BFADLP Cc1ccc(F)c(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000227283663 188358942 /nfs/dbraw/zinc/35/89/42/188358942.db2.gz NAGUJHRHACELTJ-LBPRGKRZSA-N 2 2 247.317 2.509 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CCC12CCC2)[NH+](C)C ZINC000337385839 188363298 /nfs/dbraw/zinc/36/32/98/188363298.db2.gz HQFQMPVFOXWBGM-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP FCCC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000337985690 188364822 /nfs/dbraw/zinc/36/48/22/188364822.db2.gz BAFQFZFHJNOCMX-KBPBESRZSA-N 2 2 242.382 2.590 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000336779266 353544831 /nfs/dbraw/zinc/54/48/31/353544831.db2.gz NSULQMFPCBJPPW-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000336779266 353544832 /nfs/dbraw/zinc/54/48/32/353544832.db2.gz NSULQMFPCBJPPW-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1c2ccccc2C[N@H+]1CCCn1cc[nH+]c1 ZINC000343313840 353624199 /nfs/dbraw/zinc/62/41/99/353624199.db2.gz KOBLKIZBGJJGIR-CYBMUJFWSA-N 2 2 241.338 2.850 20 0 BFADLP C[C@@H]1c2ccccc2C[N@@H+]1CCCn1cc[nH+]c1 ZINC000343313840 353624201 /nfs/dbraw/zinc/62/42/01/353624201.db2.gz KOBLKIZBGJJGIR-CYBMUJFWSA-N 2 2 241.338 2.850 20 0 BFADLP c1cn(CCC[N@@H+]2CC[C@@H]2c2ccccc2)c[nH+]1 ZINC000343313467 353629274 /nfs/dbraw/zinc/62/92/74/353629274.db2.gz IKNDKWUUJKIBQH-OAHLLOKOSA-N 2 2 241.338 2.720 20 0 BFADLP c1cn(CCC[N@H+]2CC[C@@H]2c2ccccc2)c[nH+]1 ZINC000343313467 353629277 /nfs/dbraw/zinc/62/92/77/353629277.db2.gz IKNDKWUUJKIBQH-OAHLLOKOSA-N 2 2 241.338 2.720 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC000037978652 358480418 /nfs/dbraw/zinc/48/04/18/358480418.db2.gz HZYRUXUISLFPFX-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)cc(C)c1 ZINC000037978652 358480423 /nfs/dbraw/zinc/48/04/23/358480423.db2.gz HZYRUXUISLFPFX-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP C/C(Cl)=C/C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000528392324 324218767 /nfs/dbraw/zinc/21/87/67/324218767.db2.gz BZGVWYAKJQXBKV-FUQNDXKWSA-N 2 2 239.750 2.663 20 0 BFADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccoc1 ZINC000178343989 366116160 /nfs/dbraw/zinc/11/61/60/366116160.db2.gz IUXBFNQYCVHVKV-GFCCVEGCSA-N 2 2 245.326 2.827 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000334538999 353926894 /nfs/dbraw/zinc/92/68/94/353926894.db2.gz CJBLDCCQVNCSKU-QWHCGFSZSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)CCC[C@H]1C ZINC000334538999 353926895 /nfs/dbraw/zinc/92/68/95/353926895.db2.gz CJBLDCCQVNCSKU-QWHCGFSZSA-N 2 2 235.375 2.702 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C[C@H]1C ZINC000343741437 353970356 /nfs/dbraw/zinc/97/03/56/353970356.db2.gz ZMLQPRNKQPRKKY-NIFZNCRKSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@H]1C ZINC000343741437 353970359 /nfs/dbraw/zinc/97/03/59/353970359.db2.gz ZMLQPRNKQPRKKY-NIFZNCRKSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCCc2ccccc21)[NH+](C)C ZINC000038088751 358482719 /nfs/dbraw/zinc/48/27/19/358482719.db2.gz BINYRFXRKXWVNA-CJNGLKHVSA-N 2 2 246.398 2.994 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCCc2ccccc21)[NH+](C)C ZINC000038088749 358483440 /nfs/dbraw/zinc/48/34/40/358483440.db2.gz BINYRFXRKXWVNA-CZUORRHYSA-N 2 2 246.398 2.994 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344324385 354247440 /nfs/dbraw/zinc/24/74/40/354247440.db2.gz KWCLXQHKVDQKGI-HIFRSBDPSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344324385 354247442 /nfs/dbraw/zinc/24/74/42/354247442.db2.gz KWCLXQHKVDQKGI-HIFRSBDPSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1C ZINC000344311181 354219686 /nfs/dbraw/zinc/21/96/86/354219686.db2.gz WQJQXWUFWXLPEK-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1C ZINC000344311181 354219688 /nfs/dbraw/zinc/21/96/88/354219688.db2.gz WQJQXWUFWXLPEK-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccccc2)CCC[N@@H+]1C ZINC000344330763 354227266 /nfs/dbraw/zinc/22/72/66/354227266.db2.gz VSUIBEOVJCWNQD-DGNXDGCUSA-N 2 2 244.382 2.772 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccccc2)CCC[N@H+]1C ZINC000344330763 354227267 /nfs/dbraw/zinc/22/72/67/354227267.db2.gz VSUIBEOVJCWNQD-DGNXDGCUSA-N 2 2 244.382 2.772 20 0 BFADLP CC1CCC(C[N@@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000334599979 354236427 /nfs/dbraw/zinc/23/64/27/354236427.db2.gz YZXUDMZDBGZOEJ-UHFFFAOYSA-N 2 2 233.359 2.525 20 0 BFADLP CC1CCC(C[N@H+]2CCn3c[nH+]cc3C2)CC1 ZINC000334599979 354236429 /nfs/dbraw/zinc/23/64/29/354236429.db2.gz YZXUDMZDBGZOEJ-UHFFFAOYSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000344632920 354331648 /nfs/dbraw/zinc/33/16/48/354331648.db2.gz VGNHREOYDWUUKK-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000344632920 354331654 /nfs/dbraw/zinc/33/16/54/354331654.db2.gz VGNHREOYDWUUKK-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634667 366199993 /nfs/dbraw/zinc/19/99/93/366199993.db2.gz PWLMRPRIEVVEGX-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634667 366199999 /nfs/dbraw/zinc/19/99/99/366199999.db2.gz PWLMRPRIEVVEGX-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CCC([N@H+](C)CCn2cc[nH+]c2)CC1 ZINC000346315544 354894313 /nfs/dbraw/zinc/89/43/13/354894313.db2.gz TUPQZHSUKLDFSM-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CCC1CCC([N@@H+](C)CCn2cc[nH+]c2)CC1 ZINC000346315544 354894314 /nfs/dbraw/zinc/89/43/14/354894314.db2.gz TUPQZHSUKLDFSM-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346550156 354983578 /nfs/dbraw/zinc/98/35/78/354983578.db2.gz CYHJTEOYEUPJQP-YRGRVCCFSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346550156 354983581 /nfs/dbraw/zinc/98/35/81/354983581.db2.gz CYHJTEOYEUPJQP-YRGRVCCFSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346550149 354983867 /nfs/dbraw/zinc/98/38/67/354983867.db2.gz CYHJTEOYEUPJQP-BZPMIXESSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000346550149 354983871 /nfs/dbraw/zinc/98/38/71/354983871.db2.gz CYHJTEOYEUPJQP-BZPMIXESSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1csc(Cl)c1 ZINC000335182218 355080575 /nfs/dbraw/zinc/08/05/75/355080575.db2.gz SNGIUIXXAFARHY-PSASIEDQSA-N 2 2 244.791 2.804 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000335210094 355047554 /nfs/dbraw/zinc/04/75/54/355047554.db2.gz UPOWLQZQRDQOEH-PWSUYJOCSA-N 2 2 247.367 2.610 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccccc32)CCC[N@@H+]1C ZINC000346784427 355115911 /nfs/dbraw/zinc/11/59/11/355115911.db2.gz BHWDKFRAYMGVLB-DAXOMENPSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3ccccc32)CCC[N@H+]1C ZINC000346784427 355115913 /nfs/dbraw/zinc/11/59/13/355115913.db2.gz BHWDKFRAYMGVLB-DAXOMENPSA-N 2 2 244.382 2.746 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000335779989 355406660 /nfs/dbraw/zinc/40/66/60/355406660.db2.gz WLRLTMRECRPNFD-ZDUSSCGKSA-N 2 2 236.334 2.700 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000335779989 355406662 /nfs/dbraw/zinc/40/66/62/355406662.db2.gz WLRLTMRECRPNFD-ZDUSSCGKSA-N 2 2 236.334 2.700 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccccc1Cl ZINC000414818079 191581348 /nfs/dbraw/zinc/58/13/48/191581348.db2.gz UQUJJBWMXIDDAJ-LBPRGKRZSA-N 2 2 240.778 2.947 20 0 BFADLP C[N@H+](CCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000084567087 355460546 /nfs/dbraw/zinc/46/05/46/355460546.db2.gz MYUWBAIZXKTDCV-UHFFFAOYSA-N 2 2 247.169 2.774 20 0 BFADLP C[N@@H+](CCC[NH3+])Cc1ccc(Cl)cc1Cl ZINC000084567087 355460548 /nfs/dbraw/zinc/46/05/48/355460548.db2.gz MYUWBAIZXKTDCV-UHFFFAOYSA-N 2 2 247.169 2.774 20 0 BFADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cc2ccccc2o1 ZINC000414833424 191592373 /nfs/dbraw/zinc/59/23/73/191592373.db2.gz FPXDZTXPYZRACM-ZDUSSCGKSA-N 2 2 246.354 2.896 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000335808948 355482347 /nfs/dbraw/zinc/48/23/47/355482347.db2.gz MOCNWYRHJNBEMA-LLVKDONJSA-N 2 2 247.367 2.776 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000335808948 355482350 /nfs/dbraw/zinc/48/23/50/355482350.db2.gz MOCNWYRHJNBEMA-LLVKDONJSA-N 2 2 247.367 2.776 20 0 BFADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cc2ccccc2o1 ZINC000415059617 191664573 /nfs/dbraw/zinc/66/45/73/191664573.db2.gz VCFKLWZHCUGCPR-CQSZACIVSA-N 2 2 246.354 2.896 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)c[nH+]c12 ZINC000583576620 355658639 /nfs/dbraw/zinc/65/86/39/355658639.db2.gz XIIJFBHNRDUQBF-BTTYYORXSA-N 2 2 241.338 2.531 20 0 BFADLP C[C@H]1CCCC[C@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000336009756 134050108 /nfs/dbraw/zinc/05/01/08/134050108.db2.gz BNYAYXUIXRSGIE-STQMWFEESA-N 2 2 233.359 2.525 20 0 BFADLP C[C@H]1CCCC[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000336009756 134050109 /nfs/dbraw/zinc/05/01/09/134050109.db2.gz BNYAYXUIXRSGIE-STQMWFEESA-N 2 2 233.359 2.525 20 0 BFADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@@H](C)[NH+](C)C ZINC000166665497 355742698 /nfs/dbraw/zinc/74/26/98/355742698.db2.gz ZOBPQVULAJXOPJ-NXEZZACHSA-N 2 2 240.313 2.647 20 0 BFADLP C[C@@H](CCCC(F)(F)F)[NH2+]C[C@H](C)[NH+](C)C ZINC000166665608 355743045 /nfs/dbraw/zinc/74/30/45/355743045.db2.gz ZOBPQVULAJXOPJ-UWVGGRQHSA-N 2 2 240.313 2.647 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353247789 355756998 /nfs/dbraw/zinc/75/69/98/355756998.db2.gz KOABMYWTGOPZMJ-AGIUHOORSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000353247789 355757000 /nfs/dbraw/zinc/75/70/00/355757000.db2.gz KOABMYWTGOPZMJ-AGIUHOORSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCC1(C)C)[N@H+](C)C1CC1 ZINC000167363311 355985926 /nfs/dbraw/zinc/98/59/26/355985926.db2.gz ULPYCIXYJFBMTN-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCC1(C)C)[N@@H+](C)C1CC1 ZINC000167363311 355985927 /nfs/dbraw/zinc/98/59/27/355985927.db2.gz ULPYCIXYJFBMTN-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCCC1(C)C)C1CC1 ZINC000167198717 355968259 /nfs/dbraw/zinc/96/82/59/355968259.db2.gz BZOJDTSODDMWIF-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCCC1(C)C)C1CC1 ZINC000167198717 355968263 /nfs/dbraw/zinc/96/82/63/355968263.db2.gz BZOJDTSODDMWIF-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000351541591 356013016 /nfs/dbraw/zinc/01/30/16/356013016.db2.gz BHAKMWQJSZPAQU-UHFFFAOYSA-N 2 2 244.342 2.784 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]C[C@@H]1CC=CCC1)CCCC2 ZINC000376725992 192018470 /nfs/dbraw/zinc/01/84/70/192018470.db2.gz MFTNQJYDZNJUFN-CYBMUJFWSA-N 2 2 245.370 2.665 20 0 BFADLP CC[N@@H+](Cc1cccc(Cl)c1)C[C@H](C)[NH3+] ZINC000420319442 192195884 /nfs/dbraw/zinc/19/58/84/192195884.db2.gz PNNSSCHAFMPPNA-JTQLQIEISA-N 2 2 226.751 2.509 20 0 BFADLP CC[N@H+](Cc1cccc(Cl)c1)C[C@H](C)[NH3+] ZINC000420319442 192195886 /nfs/dbraw/zinc/19/58/86/192195886.db2.gz PNNSSCHAFMPPNA-JTQLQIEISA-N 2 2 226.751 2.509 20 0 BFADLP CCCC[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000352416408 356342936 /nfs/dbraw/zinc/34/29/36/356342936.db2.gz UAWCOBCNWUYHNR-CYBMUJFWSA-N 2 2 223.364 2.784 20 0 BFADLP CCCC[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000352416408 356342938 /nfs/dbraw/zinc/34/29/38/356342938.db2.gz UAWCOBCNWUYHNR-CYBMUJFWSA-N 2 2 223.364 2.784 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000037320277 356355386 /nfs/dbraw/zinc/35/53/86/356355386.db2.gz VUINRHYKGYIISM-KBPBESRZSA-N 2 2 243.354 2.931 20 0 BFADLP CCCC[N@@H+](Cc1ccccc1F)C[C@@H](C)[NH3+] ZINC000420313171 192211445 /nfs/dbraw/zinc/21/14/45/192211445.db2.gz XQPFZDDKQDDZSC-GFCCVEGCSA-N 2 2 238.350 2.775 20 0 BFADLP CCCC[N@H+](Cc1ccccc1F)C[C@@H](C)[NH3+] ZINC000420313171 192211448 /nfs/dbraw/zinc/21/14/48/192211448.db2.gz XQPFZDDKQDDZSC-GFCCVEGCSA-N 2 2 238.350 2.775 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000420361918 192222837 /nfs/dbraw/zinc/22/28/37/192222837.db2.gz YRZXCPLRCKWELV-NZVBXONLSA-N 2 2 248.345 2.625 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1[C@@H]1CCCc2ccc(F)cc21 ZINC000420361918 192222840 /nfs/dbraw/zinc/22/28/40/192222840.db2.gz YRZXCPLRCKWELV-NZVBXONLSA-N 2 2 248.345 2.625 20 0 BFADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C)c1ccccc1 ZINC000420365742 192223627 /nfs/dbraw/zinc/22/36/27/192223627.db2.gz LLEKSGABRNGBMC-QVHKTLOISA-N 2 2 232.371 2.724 20 0 BFADLP Cc1ccc([C@@H]([NH2+]CC[NH3+])c2ccccc2)cc1 ZINC000420365718 192224652 /nfs/dbraw/zinc/22/46/52/192224652.db2.gz FHIQKVHXEHUVFV-INIZCTEOSA-N 2 2 240.350 2.633 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1F ZINC000420412706 192240990 /nfs/dbraw/zinc/24/09/90/192240990.db2.gz SOMPIQRAHOOLKE-GFCCVEGCSA-N 2 2 244.741 2.725 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000420375014 192231391 /nfs/dbraw/zinc/23/13/91/192231391.db2.gz OQKJBICSPRSDQX-GFCCVEGCSA-N 2 2 246.398 2.689 20 0 BFADLP C[C@@H]([NH3+])C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1 ZINC000420375014 192231393 /nfs/dbraw/zinc/23/13/93/192231393.db2.gz OQKJBICSPRSDQX-GFCCVEGCSA-N 2 2 246.398 2.689 20 0 BFADLP CCC(F)(F)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000639544174 356407443 /nfs/dbraw/zinc/40/74/43/356407443.db2.gz VTBHPNFWCHWJEH-UHFFFAOYSA-N 2 2 245.317 2.559 20 0 BFADLP CCC(F)(F)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000639544174 356407446 /nfs/dbraw/zinc/40/74/46/356407446.db2.gz VTBHPNFWCHWJEH-UHFFFAOYSA-N 2 2 245.317 2.559 20 0 BFADLP Cc1cc(C)c(C[NH+]2[C@H](C)C[C@H]2C)c(C)[nH+]1 ZINC000639618236 356535268 /nfs/dbraw/zinc/53/52/68/356535268.db2.gz GNZQREPLXLHCNY-VXGBXAGGSA-N 2 2 218.344 2.990 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC2(C1)CCCCC2 ZINC000421329159 192317884 /nfs/dbraw/zinc/31/78/84/192317884.db2.gz UWRAKAXTYYMJAS-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC2(C1)CCCCC2 ZINC000421329159 192317886 /nfs/dbraw/zinc/31/78/86/192317886.db2.gz UWRAKAXTYYMJAS-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422942581 192511141 /nfs/dbraw/zinc/51/11/41/192511141.db2.gz JGIMFOCLEIAZDG-RISCZKNCSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422941899 192512043 /nfs/dbraw/zinc/51/20/43/192512043.db2.gz VYMSABXLXXOGJM-UHOFOFEASA-N 2 2 244.382 2.712 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000245873511 535326466 /nfs/dbraw/zinc/32/64/66/535326466.db2.gz SHAGSDMWBNGULP-CABCVRRESA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000245873511 535326469 /nfs/dbraw/zinc/32/64/69/535326469.db2.gz SHAGSDMWBNGULP-CABCVRRESA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000582252837 356686624 /nfs/dbraw/zinc/68/66/24/356686624.db2.gz TVZSEEHVQTWBTJ-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)CC1CCC1 ZINC000355614101 356766850 /nfs/dbraw/zinc/76/68/50/356766850.db2.gz ZOKKHBBKFUIIEZ-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP CC[N@H+](Cc1cccc2[nH+]ccn21)CC1CCC1 ZINC000355614101 356766853 /nfs/dbraw/zinc/76/68/53/356766853.db2.gz ZOKKHBBKFUIIEZ-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP CCc1cccnc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000356910905 356809335 /nfs/dbraw/zinc/80/93/35/356809335.db2.gz ZHQCWZNDZBLIKR-OLZOCXBDSA-N 2 2 249.402 2.635 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000386613556 538695022 /nfs/dbraw/zinc/69/50/22/538695022.db2.gz MXUAKMWYJIRMOA-WWGRRREGSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000386613556 538695027 /nfs/dbraw/zinc/69/50/27/538695027.db2.gz MXUAKMWYJIRMOA-WWGRRREGSA-N 2 2 244.382 2.919 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000155857500 538735620 /nfs/dbraw/zinc/73/56/20/538735620.db2.gz SJNYXHYZVJGHRG-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000155857500 538735623 /nfs/dbraw/zinc/73/56/23/538735623.db2.gz SJNYXHYZVJGHRG-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000155855651 538736489 /nfs/dbraw/zinc/73/64/89/538736489.db2.gz NJAQPPHQILKAOS-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000155855651 538736497 /nfs/dbraw/zinc/73/64/97/538736497.db2.gz NJAQPPHQILKAOS-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2sccc21 ZINC000423212235 192628479 /nfs/dbraw/zinc/62/84/79/192628479.db2.gz JOMLRIJCXSOZPY-JFGNBEQYSA-N 2 2 236.384 2.638 20 0 BFADLP CCCC[C@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375268895 357175061 /nfs/dbraw/zinc/17/50/61/357175061.db2.gz OIQNKWBFUHJEMG-LBPRGKRZSA-N 2 2 235.375 2.888 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000583198342 357517703 /nfs/dbraw/zinc/51/77/03/357517703.db2.gz YKYUNFGFNZOLPW-NZVBXONLSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@H+](C)C1CC1 ZINC000230394568 357533278 /nfs/dbraw/zinc/53/32/78/357533278.db2.gz GWCMVMFJEHVJQA-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000230394568 357533281 /nfs/dbraw/zinc/53/32/81/357533281.db2.gz GWCMVMFJEHVJQA-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)C[C@H]1CCC[C@H]([NH2+]CC[NH+](C)C)C1 ZINC000230764448 357564344 /nfs/dbraw/zinc/56/43/44/357564344.db2.gz RJWSXZHPXRUOQH-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H](C)C2CCCCC2)n1C ZINC000583214977 357564811 /nfs/dbraw/zinc/56/48/11/357564811.db2.gz KVWUVDZRTALMJY-NSHDSACASA-N 2 2 235.375 2.787 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000230993117 357586896 /nfs/dbraw/zinc/58/68/96/357586896.db2.gz YMODSANKGRGYDQ-KGLIPLIRSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397709773 357660873 /nfs/dbraw/zinc/66/08/73/357660873.db2.gz SLSLCJBXHNRDML-QWHCGFSZSA-N 2 2 235.375 2.688 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCCCC2(C)C)CC1 ZINC000397751399 357675904 /nfs/dbraw/zinc/67/59/04/357675904.db2.gz DSDGGTQVQQEALM-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCCc1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1C ZINC000233391134 357719482 /nfs/dbraw/zinc/71/94/82/357719482.db2.gz ZJXDGKSZRBSPQF-CYBMUJFWSA-N 2 2 235.375 2.710 20 0 BFADLP CCCc1[nH+]ccn1CC[C@H]1CCCC[N@H+]1C ZINC000233391134 357719484 /nfs/dbraw/zinc/71/94/84/357719484.db2.gz ZJXDGKSZRBSPQF-CYBMUJFWSA-N 2 2 235.375 2.710 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000583806562 357955010 /nfs/dbraw/zinc/95/50/10/357955010.db2.gz YKYUNFGFNZOLPW-VCTAVGKDSA-N 2 2 248.345 2.543 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+]C(C1CC1)C1CC1 ZINC000040767389 358245602 /nfs/dbraw/zinc/24/56/02/358245602.db2.gz PWLIFDNGDCSWRC-UHFFFAOYSA-N 2 2 236.403 2.641 20 0 BFADLP CCC[C@@H](C)C[NH2+]CCCCn1cc[nH+]c1 ZINC000045105620 358400524 /nfs/dbraw/zinc/40/05/24/358400524.db2.gz SHXQKQGHOIFCKB-CYBMUJFWSA-N 2 2 223.364 2.689 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389557444 358427313 /nfs/dbraw/zinc/42/73/13/358427313.db2.gz SFEJYOLZANXSHJ-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389557444 358427316 /nfs/dbraw/zinc/42/73/16/358427316.db2.gz SFEJYOLZANXSHJ-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000044684319 358552031 /nfs/dbraw/zinc/55/20/31/358552031.db2.gz QQLCVIRHBOCEML-BXUZGUMPSA-N 2 2 248.345 2.713 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000044684319 358552033 /nfs/dbraw/zinc/55/20/33/358552033.db2.gz QQLCVIRHBOCEML-BXUZGUMPSA-N 2 2 248.345 2.713 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000130167603 358611812 /nfs/dbraw/zinc/61/18/12/358611812.db2.gz UKGCIJPAOZGRHU-FRRDWIJNSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000049328120 358682697 /nfs/dbraw/zinc/68/26/97/358682697.db2.gz AKMPGZLKQOQMJB-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP CCCC[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000050889910 358738443 /nfs/dbraw/zinc/73/84/43/358738443.db2.gz PRHMRNKLMROSKI-JSGCOSHPSA-N 2 2 220.360 2.855 20 0 BFADLP COc1cc(C)[nH+]c(Cn2cc[nH+]c2C(C)C)c1 ZINC000214370093 358777977 /nfs/dbraw/zinc/77/79/77/358777977.db2.gz NXDOGPBBTDCYGB-UHFFFAOYSA-N 2 2 245.326 2.767 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000053488017 358829477 /nfs/dbraw/zinc/82/94/77/358829477.db2.gz TXRFYGSFDQMSLI-ZIAGYGMSSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000053488017 358829479 /nfs/dbraw/zinc/82/94/79/358829479.db2.gz TXRFYGSFDQMSLI-ZIAGYGMSSA-N 2 2 234.387 2.895 20 0 BFADLP C[C@]1(C2CCCCC2)CC[N@@H+]1CCn1cc[nH+]c1 ZINC000640220334 358893590 /nfs/dbraw/zinc/89/35/90/358893590.db2.gz SWSMTOYGMVNFCR-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP C[C@]1(C2CCCCC2)CC[N@H+]1CCn1cc[nH+]c1 ZINC000640220334 358893594 /nfs/dbraw/zinc/89/35/94/358893594.db2.gz SWSMTOYGMVNFCR-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC000177313864 134299600 /nfs/dbraw/zinc/29/96/00/134299600.db2.gz TVYMUCFYOQXZFT-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)C ZINC000177313864 134299601 /nfs/dbraw/zinc/29/96/01/134299601.db2.gz TVYMUCFYOQXZFT-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C ZINC000177313864 134299602 /nfs/dbraw/zinc/29/96/02/134299602.db2.gz TVYMUCFYOQXZFT-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C ZINC000177313864 134299603 /nfs/dbraw/zinc/29/96/03/134299603.db2.gz TVYMUCFYOQXZFT-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000069794257 359033544 /nfs/dbraw/zinc/03/35/44/359033544.db2.gz LMRWOVZHWNWEFE-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000069794257 359033549 /nfs/dbraw/zinc/03/35/49/359033549.db2.gz LMRWOVZHWNWEFE-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000069794215 359033708 /nfs/dbraw/zinc/03/37/08/359033708.db2.gz MVLLHELXFSWBEY-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000069794215 359033711 /nfs/dbraw/zinc/03/37/11/359033711.db2.gz MVLLHELXFSWBEY-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423332879 192713420 /nfs/dbraw/zinc/71/34/20/192713420.db2.gz RJPDZVWDSDCSSY-GFCCVEGCSA-N 2 2 248.370 2.536 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070682689 359061533 /nfs/dbraw/zinc/06/15/33/359061533.db2.gz PAGCPNHBGZNELQ-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683409 359061863 /nfs/dbraw/zinc/06/18/63/359061863.db2.gz NBULYTVYEHGGMA-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070683409 359061868 /nfs/dbraw/zinc/06/18/68/359061868.db2.gz NBULYTVYEHGGMA-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247697222 359241562 /nfs/dbraw/zinc/24/15/62/359241562.db2.gz UBSROFVAKHINHS-OLZOCXBDSA-N 2 2 221.348 2.566 20 0 BFADLP CCCC[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247697222 359241567 /nfs/dbraw/zinc/24/15/67/359241567.db2.gz UBSROFVAKHINHS-OLZOCXBDSA-N 2 2 221.348 2.566 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C[N@@H+]1C1CC1 ZINC000379590618 359556767 /nfs/dbraw/zinc/55/67/67/359556767.db2.gz VDRMRVNLIUCKPJ-TZMCWYRMSA-N 2 2 234.387 2.702 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)C[N@H+]1C1CC1 ZINC000379590618 359556770 /nfs/dbraw/zinc/55/67/70/359556770.db2.gz VDRMRVNLIUCKPJ-TZMCWYRMSA-N 2 2 234.387 2.702 20 0 BFADLP C/C=C\C[C@@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628495145 359696674 /nfs/dbraw/zinc/69/66/74/359696674.db2.gz JLXXYPFNNSPMMC-ZRUQZJFASA-N 2 2 247.386 2.907 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004104 360052309 /nfs/dbraw/zinc/05/23/09/360052309.db2.gz BNHHTUWRFQCYJL-ZIAGYGMSSA-N 2 2 249.402 2.721 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004104 360052314 /nfs/dbraw/zinc/05/23/14/360052314.db2.gz BNHHTUWRFQCYJL-ZIAGYGMSSA-N 2 2 249.402 2.721 20 0 BFADLP CCCCC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004123 360052786 /nfs/dbraw/zinc/05/27/86/360052786.db2.gz ZXIZADHIADCWSD-AWEZNQCLSA-N 2 2 249.402 2.865 20 0 BFADLP CCCCC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090004123 360052788 /nfs/dbraw/zinc/05/27/88/360052788.db2.gz ZXIZADHIADCWSD-AWEZNQCLSA-N 2 2 249.402 2.865 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000629388875 361035383 /nfs/dbraw/zinc/03/53/83/361035383.db2.gz SVOMVEZKKWSNCH-UONOGXRCSA-N 2 2 244.338 2.663 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000629387474 361039141 /nfs/dbraw/zinc/03/91/41/361039141.db2.gz BRAXIXCMWMTHKN-JKSUJKDBSA-N 2 2 244.382 2.794 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000629391221 361045588 /nfs/dbraw/zinc/04/55/88/361045588.db2.gz ZPEJQGVNNBAYLJ-QWHCGFSZSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2coc3ccccc23)C[NH2+]1 ZINC000629415483 361061472 /nfs/dbraw/zinc/06/14/72/361061472.db2.gz QZIZPLJPQGDFNP-YPMHNXCESA-N 2 2 244.338 2.663 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccn1 ZINC000629527382 361129296 /nfs/dbraw/zinc/12/92/96/361129296.db2.gz TZXVBGAPXXLOBS-AEGPPILISA-N 2 2 247.386 2.653 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1csc(C)c1 ZINC000629527985 361134875 /nfs/dbraw/zinc/13/48/75/361134875.db2.gz LJCDXYCTTXXLCL-WCFLWFBJSA-N 2 2 238.400 2.848 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cccs1 ZINC000629524645 361125619 /nfs/dbraw/zinc/12/56/19/361125619.db2.gz RWPDYMYOBWBANM-SDDRHHMPSA-N 2 2 238.400 2.929 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cccs1 ZINC000629524644 361125839 /nfs/dbraw/zinc/12/58/39/361125839.db2.gz RWPDYMYOBWBANM-QJPTWQEYSA-N 2 2 238.400 2.929 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000629526134 361127211 /nfs/dbraw/zinc/12/72/11/361127211.db2.gz LJQASFPIQYWERE-HRCADAONSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(F)cc32)C[NH2+]1 ZINC000629538346 361402465 /nfs/dbraw/zinc/40/24/65/361402465.db2.gz LCTFNDAVZOUGMG-YVLXSGLVSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(F)ccc32)C[NH2+]1 ZINC000629538620 361403221 /nfs/dbraw/zinc/40/32/21/361403221.db2.gz OTOKSIMOYIZZNV-RIEGTJTDSA-N 2 2 248.345 2.543 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CC2)cc1 ZINC000629543837 361411547 /nfs/dbraw/zinc/41/15/47/361411547.db2.gz DPFUUZZMBMALLK-MAZHCROVSA-N 2 2 244.382 2.786 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629540160 361413865 /nfs/dbraw/zinc/41/38/65/361413865.db2.gz UOZGGJBXKXTIDL-SDDRHHMPSA-N 2 2 238.400 2.848 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629540161 361414158 /nfs/dbraw/zinc/41/41/58/361414158.db2.gz UOZGGJBXKXTIDL-SRVKXCTJSA-N 2 2 238.400 2.848 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000629540281 361414281 /nfs/dbraw/zinc/41/42/81/361414281.db2.gz VIZZFNVBYHNYNA-JGGQBBKZSA-N 2 2 244.382 2.712 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccccn1 ZINC000629540037 361414453 /nfs/dbraw/zinc/41/44/53/361414453.db2.gz PREAPGSIDOGLOC-YDHLFZDLSA-N 2 2 247.386 2.653 20 0 BFADLP CSCC[N@H+](C)CCCc1c[nH+]ccc1C ZINC000429854202 201132834 /nfs/dbraw/zinc/13/28/34/201132834.db2.gz WOKTVDLBQYGMBM-UHFFFAOYSA-N 2 2 238.400 2.617 20 0 BFADLP CSCC[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000429854202 201132838 /nfs/dbraw/zinc/13/28/38/201132838.db2.gz WOKTVDLBQYGMBM-UHFFFAOYSA-N 2 2 238.400 2.617 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cs1 ZINC000629534808 361408229 /nfs/dbraw/zinc/40/82/29/361408229.db2.gz AZEMQTNNNKEZPF-GAFUQQFSSA-N 2 2 238.400 2.848 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccsc1 ZINC000629545345 361425558 /nfs/dbraw/zinc/42/55/58/361425558.db2.gz KFTZSSLESMLOPO-MVWJERBFSA-N 2 2 224.373 2.539 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)s1 ZINC000629546545 361428756 /nfs/dbraw/zinc/42/87/56/361428756.db2.gz YYJZWPMTTYXEDD-GBIKHYSHSA-N 2 2 238.400 2.766 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccsc1 ZINC000629546701 361429649 /nfs/dbraw/zinc/42/96/49/361429649.db2.gz WYKNJKWVOWCLLV-UHTWSYAYSA-N 2 2 238.400 2.929 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc2c(c1)CCC2 ZINC000629549430 361432838 /nfs/dbraw/zinc/43/28/38/361432838.db2.gz VNAPMNLDJJOVLI-BFQNTYOBSA-N 2 2 244.382 2.576 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000629548951 361434189 /nfs/dbraw/zinc/43/41/89/361434189.db2.gz SOXKMWRJRGJNGO-GLQYFDAESA-N 2 2 244.382 2.749 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C[NH2+]1 ZINC000629542210 361417733 /nfs/dbraw/zinc/41/77/33/361417733.db2.gz ZYONYYZCVDCNNY-HFAKWTLXSA-N 2 2 248.345 2.543 20 0 BFADLP CC[C@H]1CC[N@@H+]1CCCc1c[nH+]ccc1C ZINC000430192824 201151661 /nfs/dbraw/zinc/15/16/61/201151661.db2.gz DGGMXPPEWUTBOZ-AWEZNQCLSA-N 2 2 218.344 2.807 20 0 BFADLP CC[C@H]1CC[N@H+]1CCCc1c[nH+]ccc1C ZINC000430192824 201151665 /nfs/dbraw/zinc/15/16/65/201151665.db2.gz DGGMXPPEWUTBOZ-AWEZNQCLSA-N 2 2 218.344 2.807 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccs1 ZINC000154563089 201284785 /nfs/dbraw/zinc/28/47/85/201284785.db2.gz BOBMFRWRBUGQHI-NWDGAFQWSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccs1 ZINC000154563089 201284789 /nfs/dbraw/zinc/28/47/89/201284789.db2.gz BOBMFRWRBUGQHI-NWDGAFQWSA-N 2 2 238.400 2.883 20 0 BFADLP CC[N@H+](CCC[NH2+]C)Cc1ccccc1Cl ZINC000435878242 201291487 /nfs/dbraw/zinc/29/14/87/201291487.db2.gz ATAVHZAXTKCAJZ-UHFFFAOYSA-N 2 2 240.778 2.771 20 0 BFADLP CC[N@@H+](CCC[NH2+]C)Cc1ccccc1Cl ZINC000435878242 201291489 /nfs/dbraw/zinc/29/14/89/201291489.db2.gz ATAVHZAXTKCAJZ-UHFFFAOYSA-N 2 2 240.778 2.771 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C[NH2+]1 ZINC000399041071 364749616 /nfs/dbraw/zinc/74/96/16/364749616.db2.gz QDJXVNSSMJWUPB-GXFFZTMASA-N 2 2 238.762 2.570 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000399001965 364692855 /nfs/dbraw/zinc/69/28/55/364692855.db2.gz SXICGEBQVUCODR-ZMLRMANQSA-N 2 2 238.400 2.848 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C[NH2+]1 ZINC000399048779 364750601 /nfs/dbraw/zinc/75/06/01/364750601.db2.gz UJLAUUAWVCILCF-MFKMUULPSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@H](C)C1 ZINC000573339387 364805005 /nfs/dbraw/zinc/80/50/05/364805005.db2.gz LRXUAIGJSZLGMO-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000573339385 364805111 /nfs/dbraw/zinc/80/51/11/364805111.db2.gz LRXUAIGJSZLGMO-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP C[NH+]1CCC(Nc2[nH+]ccc3ccccc32)CC1 ZINC000168648708 364977448 /nfs/dbraw/zinc/97/74/48/364977448.db2.gz MGQAPRGTRVEXRC-UHFFFAOYSA-N 2 2 241.338 2.741 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C2CCC1CC2 ZINC000574245495 365018776 /nfs/dbraw/zinc/01/87/76/365018776.db2.gz BGKNQPZCTDAGRZ-YMAMQOFZSA-N 2 2 236.403 2.876 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C2CCC1CC2 ZINC000574245495 365018780 /nfs/dbraw/zinc/01/87/80/365018780.db2.gz BGKNQPZCTDAGRZ-YMAMQOFZSA-N 2 2 236.403 2.876 20 0 BFADLP [NH3+]CC[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000335567443 181396237 /nfs/dbraw/zinc/39/62/37/181396237.db2.gz XDUSOJGBHXDVHP-SNVBAGLBSA-N 2 2 245.153 2.529 20 0 BFADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]CC1CC1)[NH+](C)C ZINC000443003152 193009855 /nfs/dbraw/zinc/00/98/55/193009855.db2.gz BCQBVMCQDINCOC-CZUORRHYSA-N 2 2 246.398 2.986 20 0 BFADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]CC1CC1)[NH+](C)C ZINC000443002800 193010445 /nfs/dbraw/zinc/01/04/45/193010445.db2.gz BCQBVMCQDINCOC-CJNGLKHVSA-N 2 2 246.398 2.986 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000444012753 193032957 /nfs/dbraw/zinc/03/29/57/193032957.db2.gz WXUMSSKLPXHFLI-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000444012753 193032959 /nfs/dbraw/zinc/03/29/59/193032959.db2.gz WXUMSSKLPXHFLI-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334476425 365234142 /nfs/dbraw/zinc/23/41/42/365234142.db2.gz NOVBREXWGCTGSX-QWHCGFSZSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334476425 365234147 /nfs/dbraw/zinc/23/41/47/365234147.db2.gz NOVBREXWGCTGSX-QWHCGFSZSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000334476425 365234150 /nfs/dbraw/zinc/23/41/50/365234150.db2.gz NOVBREXWGCTGSX-QWHCGFSZSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000334476425 365234155 /nfs/dbraw/zinc/23/41/55/365234155.db2.gz NOVBREXWGCTGSX-QWHCGFSZSA-N 2 2 236.359 2.503 20 0 BFADLP C[C@@H]1C[C@H](C)CC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000575999848 365443368 /nfs/dbraw/zinc/44/33/68/365443368.db2.gz MXVFMUAHAIRTIY-ZIAGYGMSSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@@H]1C[C@H](C)CC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000575999848 365443372 /nfs/dbraw/zinc/44/33/72/365443372.db2.gz MXVFMUAHAIRTIY-ZIAGYGMSSA-N 2 2 249.402 2.721 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182621432 366923373 /nfs/dbraw/zinc/92/33/73/366923373.db2.gz PMWVFKCFYWQRSR-CYBMUJFWSA-N 2 2 221.348 2.538 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182621432 366923374 /nfs/dbraw/zinc/92/33/74/366923374.db2.gz PMWVFKCFYWQRSR-CYBMUJFWSA-N 2 2 221.348 2.538 20 0 BFADLP CC(C)[N@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000182889322 366954143 /nfs/dbraw/zinc/95/41/43/366954143.db2.gz XRJYDHFUPIPYDR-UHFFFAOYSA-N 2 2 235.375 2.926 20 0 BFADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000182889322 366954152 /nfs/dbraw/zinc/95/41/52/366954152.db2.gz XRJYDHFUPIPYDR-UHFFFAOYSA-N 2 2 235.375 2.926 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2ccc3occc3c2)C1 ZINC000579972468 367109835 /nfs/dbraw/zinc/10/98/35/367109835.db2.gz XWSDTOXOMUKKDT-UHFFFAOYSA-N 2 2 244.338 2.615 20 0 BFADLP CC[NH2+]CCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000580827599 367177859 /nfs/dbraw/zinc/17/78/59/367177859.db2.gz IWHOLVOYYQNPQN-JTQLQIEISA-N 2 2 242.313 2.615 20 0 BFADLP CCCC(CCC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000381426672 367400516 /nfs/dbraw/zinc/40/05/16/367400516.db2.gz YYGFWYCJXUEFQB-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC(CCC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000381426672 367400521 /nfs/dbraw/zinc/40/05/21/367400521.db2.gz YYGFWYCJXUEFQB-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399125386 367591503 /nfs/dbraw/zinc/59/15/03/367591503.db2.gz JXKPALZZADGREQ-IPYPFGDCSA-N 2 2 232.371 2.786 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000383066059 367593326 /nfs/dbraw/zinc/59/33/26/367593326.db2.gz OTTVQXXTJOLVLQ-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000383066059 367593330 /nfs/dbraw/zinc/59/33/30/367593330.db2.gz OTTVQXXTJOLVLQ-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399122259 367596303 /nfs/dbraw/zinc/59/63/03/367596303.db2.gz IFDFMFBFMPCBBK-MELADBBJSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)cs1 ZINC000383452975 367623407 /nfs/dbraw/zinc/62/34/07/367623407.db2.gz KFVWCOODGVLMIJ-UHFFFAOYSA-N 2 2 249.383 2.823 20 0 BFADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000565849426 325965380 /nfs/dbraw/zinc/96/53/80/325965380.db2.gz MIPUPMPEQFLPCN-HUUCEWRRSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000399150879 367657799 /nfs/dbraw/zinc/65/77/99/367657799.db2.gz ZDBIYRRQIITRDG-VNHYZAJKSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC000399152773 367691734 /nfs/dbraw/zinc/69/17/34/367691734.db2.gz BYQPPEGBYOBGSF-UHIISALHSA-N 2 2 236.334 2.617 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(C)o1 ZINC000399171882 367849427 /nfs/dbraw/zinc/84/94/27/367849427.db2.gz IRLZQNZPFKCAMR-GAFUQQFSSA-N 2 2 236.359 2.688 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000399211397 367908775 /nfs/dbraw/zinc/90/87/75/367908775.db2.gz XVVRVFQZZQPFFN-UHIISALHSA-N 2 2 236.334 2.617 20 0 BFADLP Cc1cscc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386531579 367987671 /nfs/dbraw/zinc/98/76/71/367987671.db2.gz ARVJWUSLFMYLNW-DGCLKSJQSA-N 2 2 238.400 2.677 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000386578953 367997513 /nfs/dbraw/zinc/99/75/13/367997513.db2.gz NZWHILJHAJKWBN-HIFRSBDPSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccccc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386607185 368000340 /nfs/dbraw/zinc/00/03/40/368000340.db2.gz VXUWDYYSGMDYHK-UKRRQHHQSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386607187 368000431 /nfs/dbraw/zinc/00/04/31/368000431.db2.gz VXUWDYYSGMDYHK-ZFWWWQNUSA-N 2 2 232.371 2.615 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccsc1 ZINC000399280620 368062930 /nfs/dbraw/zinc/06/29/30/368062930.db2.gz XHIKPDNKBPSXKP-JFGNBEQYSA-N 2 2 224.373 2.539 20 0 BFADLP CC(C)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000073713463 368813211 /nfs/dbraw/zinc/81/32/11/368813211.db2.gz PUKGFKKHSIBYOW-UHFFFAOYSA-N 2 2 233.359 2.614 20 0 BFADLP CC[C@@H](CC(F)F)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834832 369041111 /nfs/dbraw/zinc/04/11/11/369041111.db2.gz GRUNDTWCSFJFLQ-NWDGAFQWSA-N 2 2 248.361 2.871 20 0 BFADLP CC[C@@H](CC(F)F)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834832 369041114 /nfs/dbraw/zinc/04/11/14/369041114.db2.gz GRUNDTWCSFJFLQ-NWDGAFQWSA-N 2 2 248.361 2.871 20 0 BFADLP CC(C)[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CC1 ZINC000156016573 326217282 /nfs/dbraw/zinc/21/72/82/326217282.db2.gz UECSHENURVGDSV-HNNXBMFYSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459361167 203267363 /nfs/dbraw/zinc/26/73/63/203267363.db2.gz FXRDFOILHTVUFQ-JXQTWKCFSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(C(C)(C)C)C1 ZINC000459361167 203267365 /nfs/dbraw/zinc/26/73/65/203267365.db2.gz FXRDFOILHTVUFQ-JXQTWKCFSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@@]1(C)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459501835 203293617 /nfs/dbraw/zinc/29/36/17/203293617.db2.gz FCVBVVJJLXMYRK-OAHLLOKOSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)C[C@@]1(C)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459501835 203293620 /nfs/dbraw/zinc/29/36/20/203293620.db2.gz FCVBVVJJLXMYRK-OAHLLOKOSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H](C[NH2+]C1CC(C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC000459429303 203281223 /nfs/dbraw/zinc/28/12/23/203281223.db2.gz PFTDWXSRYAASLC-HIFPTAJRSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+]C1CC(C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC000459429303 203281225 /nfs/dbraw/zinc/28/12/25/203281225.db2.gz PFTDWXSRYAASLC-HIFPTAJRSA-N 2 2 238.419 2.883 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459660332 203331289 /nfs/dbraw/zinc/33/12/89/203331289.db2.gz KYVBFWXFRVHMKN-HIFRSBDPSA-N 2 2 247.386 2.545 20 0 BFADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCCCC1 ZINC000459668092 203333579 /nfs/dbraw/zinc/33/35/79/203333579.db2.gz TUYXUBCVAKHYDI-CYBMUJFWSA-N 2 2 249.402 2.911 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459668853 203333728 /nfs/dbraw/zinc/33/37/28/203333728.db2.gz UNFJDSIUFZRTDS-ZDUSSCGKSA-N 2 2 237.391 2.767 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631862123 369475672 /nfs/dbraw/zinc/47/56/72/369475672.db2.gz LLCYUPGMMZJEJQ-SWLSCSKDSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@H]([NH3+])C[C@@H]2C)c1 ZINC000631862123 369475675 /nfs/dbraw/zinc/47/56/75/369475675.db2.gz LLCYUPGMMZJEJQ-SWLSCSKDSA-N 2 2 232.371 2.732 20 0 BFADLP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCC1 ZINC000165328599 203383676 /nfs/dbraw/zinc/38/36/76/203383676.db2.gz ZBMOWALDFIHQAU-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCC1 ZINC000165328599 203383680 /nfs/dbraw/zinc/38/36/80/203383680.db2.gz ZBMOWALDFIHQAU-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783056 370532563 /nfs/dbraw/zinc/53/25/63/370532563.db2.gz WOQZGGNJQHYHMA-OSAQELSMSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1cccc(F)c1)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621783056 370532568 /nfs/dbraw/zinc/53/25/68/370532568.db2.gz WOQZGGNJQHYHMA-OSAQELSMSA-N 2 2 248.345 2.700 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(F)c1 ZINC000631041952 371003241 /nfs/dbraw/zinc/00/32/41/371003241.db2.gz VCCUMPFVGNATRE-LBPRGKRZSA-N 2 2 247.317 2.509 20 0 BFADLP Cc1scc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1C ZINC000631042489 371003441 /nfs/dbraw/zinc/00/34/41/371003441.db2.gz ZBDAXKZENJEOTG-JTQLQIEISA-N 2 2 249.383 2.740 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154592575 371130551 /nfs/dbraw/zinc/13/05/51/371130551.db2.gz YJRBMEVUHUGYDJ-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154592575 371130555 /nfs/dbraw/zinc/13/05/55/371130555.db2.gz YJRBMEVUHUGYDJ-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP C/C=C\C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389881022 371179496 /nfs/dbraw/zinc/17/94/96/371179496.db2.gz ZFMBIPQVUHCMJE-RAQZUPNJSA-N 2 2 244.382 2.673 20 0 BFADLP C/C=C\C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389881022 371179500 /nfs/dbraw/zinc/17/95/00/371179500.db2.gz ZFMBIPQVUHCMJE-RAQZUPNJSA-N 2 2 244.382 2.673 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101390 371307552 /nfs/dbraw/zinc/30/75/52/371307552.db2.gz CPDVZRRJUXVXPP-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101390 371307558 /nfs/dbraw/zinc/30/75/58/371307558.db2.gz CPDVZRRJUXVXPP-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1C ZINC000624101410 371307918 /nfs/dbraw/zinc/30/79/18/371307918.db2.gz DLTQOGTWLSFMEE-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1C ZINC000624101410 371307926 /nfs/dbraw/zinc/30/79/26/371307926.db2.gz DLTQOGTWLSFMEE-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]CC(C)(C)C ZINC000163938993 372078942 /nfs/dbraw/zinc/07/89/42/372078942.db2.gz CPELVKTTXZWMGT-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000164454441 372151786 /nfs/dbraw/zinc/15/17/86/372151786.db2.gz CUGBGPPSJBUVMD-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000164454441 372151795 /nfs/dbraw/zinc/15/17/95/372151795.db2.gz CUGBGPPSJBUVMD-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP c1c[nH+]c(C2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000141552382 372975535 /nfs/dbraw/zinc/97/55/35/372975535.db2.gz APLZSGSNKGDUCH-UHFFFAOYSA-N 2 2 241.338 2.789 20 0 BFADLP CCC1CCC([NH2+][C@@H]2CCC[N@H+](C)C2)CC1 ZINC000040671736 373588631 /nfs/dbraw/zinc/58/86/31/373588631.db2.gz ZPOBFOKXNQSWNT-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CCC([NH2+][C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671736 373588635 /nfs/dbraw/zinc/58/86/35/373588635.db2.gz ZPOBFOKXNQSWNT-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CCC1 ZINC000178065528 206006493 /nfs/dbraw/zinc/00/64/93/206006493.db2.gz JJCXQUUIMMJVOA-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CCC1 ZINC000178065528 206006499 /nfs/dbraw/zinc/00/64/99/206006499.db2.gz JJCXQUUIMMJVOA-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CCC1)[NH+]1CCC(C)CC1 ZINC000178138159 134306650 /nfs/dbraw/zinc/30/66/50/134306650.db2.gz CFZFSOPZSVHPAT-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000167338986 206143641 /nfs/dbraw/zinc/14/36/41/206143641.db2.gz VGTITSBUSXHIQH-STQMWFEESA-N 2 2 214.397 2.741 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](C)[NH+](C)C ZINC000167335729 206143839 /nfs/dbraw/zinc/14/38/39/206143839.db2.gz SNXQOWNGGXZWJN-YNEHKIRRSA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCCCC1 ZINC000167340947 206145315 /nfs/dbraw/zinc/14/53/15/206145315.db2.gz ANDDJKRTCRBZRE-JSGCOSHPSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+](CC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000070901929 169137727 /nfs/dbraw/zinc/13/77/27/169137727.db2.gz KENHDURDJORTRQ-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[N@@H+](CC1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000070901929 169137728 /nfs/dbraw/zinc/13/77/28/169137728.db2.gz KENHDURDJORTRQ-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[NH+](CCC)CCC[NH2+]Cc1ccco1 ZINC000102781386 169147618 /nfs/dbraw/zinc/14/76/18/169147618.db2.gz PWGLERWDIANHJD-UHFFFAOYSA-N 2 2 238.375 2.881 20 0 BFADLP CCC[N@H+](Cc1ccc(C)s1)[C@@H]1CC[NH2+]C1 ZINC000070901686 169174793 /nfs/dbraw/zinc/17/47/93/169174793.db2.gz PZESKAZYCATFNW-GFCCVEGCSA-N 2 2 238.400 2.630 20 0 BFADLP CCC[N@@H+](Cc1ccc(C)s1)[C@@H]1CC[NH2+]C1 ZINC000070901686 169174796 /nfs/dbraw/zinc/17/47/96/169174796.db2.gz PZESKAZYCATFNW-GFCCVEGCSA-N 2 2 238.400 2.630 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CCC3(CCC3)C2)[nH+]1 ZINC000180282290 183340116 /nfs/dbraw/zinc/34/01/16/183340116.db2.gz YPBHBOOFHODBDQ-UHFFFAOYSA-N 2 2 241.338 2.710 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CCC3(CCC3)C2)[nH+]1 ZINC000180282290 183340119 /nfs/dbraw/zinc/34/01/19/183340119.db2.gz YPBHBOOFHODBDQ-UHFFFAOYSA-N 2 2 241.338 2.710 20 0 BFADLP CCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000092024018 169276520 /nfs/dbraw/zinc/27/65/20/169276520.db2.gz LPFIPRPMIHYFKT-LBPRGKRZSA-N 2 2 229.327 2.933 20 0 BFADLP CCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153832 169370212 /nfs/dbraw/zinc/37/02/12/169370212.db2.gz GPECCZFAHFPRCW-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000125096871 169379046 /nfs/dbraw/zinc/37/90/46/169379046.db2.gz UUEQYUJXOVIOFL-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000125096871 169379047 /nfs/dbraw/zinc/37/90/47/169379047.db2.gz UUEQYUJXOVIOFL-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000035274953 383847865 /nfs/dbraw/zinc/84/78/65/383847865.db2.gz VHKDTIRSOVVJBU-CYBMUJFWSA-N 2 2 243.354 2.624 20 0 BFADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000127634025 383829106 /nfs/dbraw/zinc/82/91/06/383829106.db2.gz PWOJTCQIBBESPZ-TZMCWYRMSA-N 2 2 233.359 2.575 20 0 BFADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@H]2CCCC[C@H]21 ZINC000127634025 383829111 /nfs/dbraw/zinc/82/91/11/383829111.db2.gz PWOJTCQIBBESPZ-TZMCWYRMSA-N 2 2 233.359 2.575 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000449339716 383904488 /nfs/dbraw/zinc/90/44/88/383904488.db2.gz UWRHINWTITZQMM-GHMZBOCLSA-N 2 2 235.375 2.681 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000449339716 383904496 /nfs/dbraw/zinc/90/44/96/383904496.db2.gz UWRHINWTITZQMM-GHMZBOCLSA-N 2 2 235.375 2.681 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000089553062 383976001 /nfs/dbraw/zinc/97/60/01/383976001.db2.gz JNOMWVFFYLZPTP-KCQAQPDRSA-N 2 2 244.382 2.962 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000089553062 383976003 /nfs/dbraw/zinc/97/60/03/383976003.db2.gz JNOMWVFFYLZPTP-KCQAQPDRSA-N 2 2 244.382 2.962 20 0 BFADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1sccc1Cl ZINC000278491441 384011788 /nfs/dbraw/zinc/01/17/88/384011788.db2.gz MBYUXBOKALQNBG-VIFPVBQESA-N 2 2 246.807 2.831 20 0 BFADLP CCCC[C@H](CC)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309493726 384097101 /nfs/dbraw/zinc/09/71/01/384097101.db2.gz XVBGUTDEFMVYFE-IHRRRGAJSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[C@H](CC)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309493726 384097107 /nfs/dbraw/zinc/09/71/07/384097107.db2.gz XVBGUTDEFMVYFE-IHRRRGAJSA-N 2 2 226.408 2.743 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC23CCCC3)c1 ZINC000313250859 384154025 /nfs/dbraw/zinc/15/40/25/384154025.db2.gz DHQVTXHZQAFCBI-CQSZACIVSA-N 2 2 247.386 2.665 20 0 BFADLP CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCC1 ZINC000313252862 384162006 /nfs/dbraw/zinc/16/20/06/384162006.db2.gz PBNRJNFXZWBYEY-CQSZACIVSA-N 2 2 235.375 2.521 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041064032 384176096 /nfs/dbraw/zinc/17/60/96/384176096.db2.gz QHMOGEZZXJAQPK-ZDUSSCGKSA-N 2 2 243.354 2.796 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC(C)C)n1-c1ccccc1 ZINC000092128645 384165713 /nfs/dbraw/zinc/16/57/13/384165713.db2.gz VKOCGFFUGFODLL-UHFFFAOYSA-N 2 2 243.354 2.926 20 0 BFADLP CC(C)C1CCC([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313263340 384177553 /nfs/dbraw/zinc/17/75/53/384177553.db2.gz LYAWZRACRBXYPJ-UHFFFAOYSA-N 2 2 249.402 2.767 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c[nH+]2)CC(C)(C)C1 ZINC000313263278 384178357 /nfs/dbraw/zinc/17/83/57/384178357.db2.gz LRNRROOOGODSHZ-JSGCOSHPSA-N 2 2 249.402 2.767 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119104 384178707 /nfs/dbraw/zinc/17/87/07/384178707.db2.gz LBFNZBXAKDYMSX-CYBMUJFWSA-N 2 2 229.327 2.542 20 0 BFADLP CC[C@H]1CCC[C@@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313287908 384235987 /nfs/dbraw/zinc/23/59/87/384235987.db2.gz YMLLHHOJEXXZHY-UONOGXRCSA-N 2 2 249.402 2.769 20 0 BFADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000093644042 384255786 /nfs/dbraw/zinc/25/57/86/384255786.db2.gz DDWCNHCKQDLHJF-YPMHNXCESA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000093644042 384255794 /nfs/dbraw/zinc/25/57/94/384255794.db2.gz DDWCNHCKQDLHJF-YPMHNXCESA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644042 384255803 /nfs/dbraw/zinc/25/58/03/384255803.db2.gz DDWCNHCKQDLHJF-YPMHNXCESA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644042 384255806 /nfs/dbraw/zinc/25/58/06/384255806.db2.gz DDWCNHCKQDLHJF-YPMHNXCESA-N 2 2 236.359 2.503 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000124235420 384317252 /nfs/dbraw/zinc/31/72/52/384317252.db2.gz LTBBZQAVTDUUOT-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000124235420 384317257 /nfs/dbraw/zinc/31/72/57/384317257.db2.gz LTBBZQAVTDUUOT-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H]1C1CC1 ZINC000449427081 384375599 /nfs/dbraw/zinc/37/55/99/384375599.db2.gz NADSJQSYTBEISN-HNNXBMFYSA-N 2 2 230.355 2.807 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H]1C1CC1 ZINC000449427081 384375606 /nfs/dbraw/zinc/37/56/06/384375606.db2.gz NADSJQSYTBEISN-HNNXBMFYSA-N 2 2 230.355 2.807 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)o1 ZINC000161527357 384499289 /nfs/dbraw/zinc/49/92/89/384499289.db2.gz RJZLKLNLRYPAJF-NSHDSACASA-N 2 2 236.359 2.587 20 0 BFADLP CC1=CC[C@@H]([NH2+][C@H](C)C[NH+]2CCCCC2)CC1 ZINC000556816396 384502419 /nfs/dbraw/zinc/50/24/19/384502419.db2.gz WDBAUXXZSVUPNB-HUUCEWRRSA-N 2 2 236.403 2.949 20 0 BFADLP C[C@H]([NH2+]CC[NH3+])c1cc(Cl)ccc1Cl ZINC000037712415 384508968 /nfs/dbraw/zinc/50/89/68/384508968.db2.gz MVQJWKLTUAAYAN-ZETCQYMHSA-N 2 2 233.142 2.603 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1(C)CC1 ZINC000448026951 384510075 /nfs/dbraw/zinc/51/00/75/384510075.db2.gz KRBYHJDFVSXHFF-QWHCGFSZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1(C)CC1 ZINC000448026951 384510080 /nfs/dbraw/zinc/51/00/80/384510080.db2.gz KRBYHJDFVSXHFF-QWHCGFSZSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000049553165 384548581 /nfs/dbraw/zinc/54/85/81/384548581.db2.gz DQKQTRPLTCQORQ-CMPLNLGQSA-N 2 2 224.348 2.579 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000309713556 384554236 /nfs/dbraw/zinc/55/42/36/384554236.db2.gz RTGPQGKXUWBZNN-ZIAGYGMSSA-N 2 2 224.392 2.663 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000309713556 384554245 /nfs/dbraw/zinc/55/42/45/384554245.db2.gz RTGPQGKXUWBZNN-ZIAGYGMSSA-N 2 2 224.392 2.663 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000556868291 384559829 /nfs/dbraw/zinc/55/98/29/384559829.db2.gz QSPRLZFFEAULAR-DHMWGJHJSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000556868291 384559832 /nfs/dbraw/zinc/55/98/32/384559832.db2.gz QSPRLZFFEAULAR-DHMWGJHJSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC(C)(C)C2)CCC[N@@H+]1C ZINC000309743783 384576479 /nfs/dbraw/zinc/57/64/79/384576479.db2.gz FAGDNQBTBBBHTG-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC(C)(C)C2)CCC[N@H+]1C ZINC000309743783 384576484 /nfs/dbraw/zinc/57/64/84/384576484.db2.gz FAGDNQBTBBBHTG-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1cccc(CC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C)c1 ZINC000040500888 384577877 /nfs/dbraw/zinc/57/78/77/384577877.db2.gz YWRYUAHYVAIGJF-CABCVRRESA-N 2 2 248.414 2.856 20 0 BFADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643066358 384579043 /nfs/dbraw/zinc/57/90/43/384579043.db2.gz NFVFUPCKTDEYAO-LZWOXQAQSA-N 2 2 244.382 2.740 20 0 BFADLP Cc1cccc([C@H](C)[N@H+]2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000643066358 384579054 /nfs/dbraw/zinc/57/90/54/384579054.db2.gz NFVFUPCKTDEYAO-LZWOXQAQSA-N 2 2 244.382 2.740 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000310037535 384590917 /nfs/dbraw/zinc/59/09/17/384590917.db2.gz VFPQSVAKYMDOBW-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000449257394 384586324 /nfs/dbraw/zinc/58/63/24/384586324.db2.gz IRFFZJZMVBMAQK-RQJABVFESA-N 2 2 247.386 2.612 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC000448029780 384567150 /nfs/dbraw/zinc/56/71/50/384567150.db2.gz QXHZKHBGHAUXGH-CYBMUJFWSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC000448029780 384567160 /nfs/dbraw/zinc/56/71/60/384567160.db2.gz QXHZKHBGHAUXGH-CYBMUJFWSA-N 2 2 238.419 2.885 20 0 BFADLP c1cn(CCC[NH2+][C@@H]2CCc3ccccc32)c[nH+]1 ZINC000020506258 384620633 /nfs/dbraw/zinc/62/06/33/384620633.db2.gz LMYLJGABFWGVSW-OAHLLOKOSA-N 2 2 241.338 2.550 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403330142 384633591 /nfs/dbraw/zinc/63/35/91/384633591.db2.gz QEQJXKIODJMVEE-BMFZPTHFSA-N 2 2 244.382 2.958 20 0 BFADLP c1cn(-c2ccc(C[NH2+]C3CCC3)cc2)c[nH+]1 ZINC000052208218 384725329 /nfs/dbraw/zinc/72/53/29/384725329.db2.gz YZHBZAMXFIJOMD-UHFFFAOYSA-N 2 2 227.311 2.514 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000185141547 384685042 /nfs/dbraw/zinc/68/50/42/384685042.db2.gz STHYWODEDDDUAY-LSDHHAIUSA-N 2 2 247.386 2.607 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccnc1 ZINC000185141547 384685047 /nfs/dbraw/zinc/68/50/47/384685047.db2.gz STHYWODEDDDUAY-LSDHHAIUSA-N 2 2 247.386 2.607 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053343413 384746359 /nfs/dbraw/zinc/74/63/59/384746359.db2.gz TZFNSKXPKGVANY-GFCCVEGCSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053343413 384746365 /nfs/dbraw/zinc/74/63/65/384746365.db2.gz TZFNSKXPKGVANY-GFCCVEGCSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]CC1CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000185683522 384758338 /nfs/dbraw/zinc/75/83/38/384758338.db2.gz UPMJLNJJFUJYRK-WFASDCNBSA-N 2 2 232.371 2.677 20 0 BFADLP CC[N@H+](CC[NH2+]C1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000300408848 384769041 /nfs/dbraw/zinc/76/90/41/384769041.db2.gz CGJVYLKDMFSRCU-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+]C1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000300408848 384769044 /nfs/dbraw/zinc/76/90/44/384769044.db2.gz CGJVYLKDMFSRCU-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CC([NH2+]CCc2cc[nH+]cc2C)C1 ZINC000309999578 384771051 /nfs/dbraw/zinc/77/10/51/384771051.db2.gz DJTFZMBCCLGHAY-UHFFFAOYSA-N 2 2 218.344 2.711 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+]CC[NH+](C)C)c1 ZINC000148332979 384883970 /nfs/dbraw/zinc/88/39/70/384883970.db2.gz SMAWXPSOGHFAAL-ZDUSSCGKSA-N 2 2 220.360 2.516 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccc(Cl)c1 ZINC000054763524 384852074 /nfs/dbraw/zinc/85/20/74/384852074.db2.gz ACGOZXMHWMNHBG-VIFPVBQESA-N 2 2 235.718 2.914 20 0 BFADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccco1 ZINC000163837661 384867036 /nfs/dbraw/zinc/86/70/36/384867036.db2.gz YOFPFLAUUFFWAK-LBPRGKRZSA-N 2 2 245.326 2.827 20 0 BFADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)C(C)C ZINC000163837440 384867466 /nfs/dbraw/zinc/86/74/66/384867466.db2.gz PNWCSZOTGFBLRD-ZDUSSCGKSA-N 2 2 235.375 2.908 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000161201631 384920327 /nfs/dbraw/zinc/92/03/27/384920327.db2.gz FUYVUNKUIRVBKK-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000161201631 384920332 /nfs/dbraw/zinc/92/03/32/384920332.db2.gz FUYVUNKUIRVBKK-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[C@H]1C[NH2+][C@@H](C)C[NH+](C)C ZINC000401584757 384933040 /nfs/dbraw/zinc/93/30/40/384933040.db2.gz MHOVHCGGYVHCJF-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CC2(CCC2)C1 ZINC000448070310 384987076 /nfs/dbraw/zinc/98/70/76/384987076.db2.gz QTKGTGSYRYUFPN-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000226708934 385044966 /nfs/dbraw/zinc/04/49/66/385044966.db2.gz NXUXVQLEKQGYEM-HUUCEWRRSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000226708934 385044971 /nfs/dbraw/zinc/04/49/71/385044971.db2.gz NXUXVQLEKQGYEM-HUUCEWRRSA-N 2 2 232.371 2.822 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H](C)C1CCC1)[NH+](C)C ZINC000177844111 385125146 /nfs/dbraw/zinc/12/51/46/385125146.db2.gz AZNCHPDOGATBRA-OCCSQVGLSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)C1CCC1)[NH+](C)C ZINC000177844118 385126669 /nfs/dbraw/zinc/12/66/69/385126669.db2.gz AZNCHPDOGATBRA-TZMCWYRMSA-N 2 2 226.408 2.741 20 0 BFADLP CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000165489024 385133761 /nfs/dbraw/zinc/13/37/61/385133761.db2.gz MIXKDAAGOVWLFK-VXGBXAGGSA-N 2 2 239.388 2.564 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000177156732 385190615 /nfs/dbraw/zinc/19/06/15/385190615.db2.gz HAOKDCLWXNJJMZ-CQSZACIVSA-N 2 2 249.402 2.806 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000177156732 385190619 /nfs/dbraw/zinc/19/06/19/385190619.db2.gz HAOKDCLWXNJJMZ-CQSZACIVSA-N 2 2 249.402 2.806 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)C1CCC1 ZINC000177923127 385145944 /nfs/dbraw/zinc/14/59/44/385145944.db2.gz JWYBEGIIFPNYOL-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)C1CCC1 ZINC000177923153 385146713 /nfs/dbraw/zinc/14/67/13/385146713.db2.gz JWYBEGIIFPNYOL-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCC[C@H](C)C1 ZINC000449765841 385174298 /nfs/dbraw/zinc/17/42/98/385174298.db2.gz KYLKNQYBAWQORC-SRVKXCTJSA-N 2 2 221.348 2.714 20 0 BFADLP Cc1ccc([C@@H](C[NH2+][C@H](C)C2CC2)[NH+](C)C)cc1 ZINC000177267650 385212032 /nfs/dbraw/zinc/21/20/32/385212032.db2.gz XIOYUKXVXVZWJE-CZUORRHYSA-N 2 2 246.398 2.986 20 0 BFADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000177232454 385205160 /nfs/dbraw/zinc/20/51/60/385205160.db2.gz KRCIBLQTZUQWCB-LBPRGKRZSA-N 2 2 247.367 2.819 20 0 BFADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@H]1c1cccs1 ZINC000177232454 385205166 /nfs/dbraw/zinc/20/51/66/385205166.db2.gz KRCIBLQTZUQWCB-LBPRGKRZSA-N 2 2 247.367 2.819 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1F ZINC000110976185 385273028 /nfs/dbraw/zinc/27/30/28/385273028.db2.gz OKGSVSPXKCRAJF-LBPRGKRZSA-N 2 2 247.317 2.509 20 0 BFADLP CCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000308926914 385287982 /nfs/dbraw/zinc/28/79/82/385287982.db2.gz IJXVCOACPAJQRF-UHFFFAOYSA-N 2 2 206.333 2.712 20 0 BFADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CCC1 ZINC000177828763 385289268 /nfs/dbraw/zinc/28/92/68/385289268.db2.gz VTFONOVHVNNFGO-GFCCVEGCSA-N 2 2 243.354 2.655 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1F ZINC000154504867 385333695 /nfs/dbraw/zinc/33/36/95/385333695.db2.gz DZOOASYKRQOUHF-RYUDHWBXSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1F ZINC000154504867 385333698 /nfs/dbraw/zinc/33/36/98/385333698.db2.gz DZOOASYKRQOUHF-RYUDHWBXSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1ccccc1 ZINC000154533134 385334411 /nfs/dbraw/zinc/33/44/11/385334411.db2.gz UUQGKUUQITUMAM-FMKPAKJESA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000154533134 385334417 /nfs/dbraw/zinc/33/44/17/385334417.db2.gz UUQGKUUQITUMAM-FMKPAKJESA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000168726389 385382720 /nfs/dbraw/zinc/38/27/20/385382720.db2.gz UAFKXSQBFXQREU-SWLSCSKDSA-N 2 2 232.371 2.604 20 0 BFADLP CC[C@@H](C)[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000156202792 385441629 /nfs/dbraw/zinc/44/16/29/385441629.db2.gz NDWUAWADXOSCED-LLVKDONJSA-N 2 2 231.343 2.884 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)c(C)c1 ZINC000367682115 385427030 /nfs/dbraw/zinc/42/70/30/385427030.db2.gz GAAUVVJASIKTJT-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP Cc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)c(C)c1 ZINC000367682115 385427035 /nfs/dbraw/zinc/42/70/35/385427035.db2.gz GAAUVVJASIKTJT-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP c1csc([C@@H]2CCC[N@H+]2Cc2c[nH+]c[nH]2)c1 ZINC000179691962 385483906 /nfs/dbraw/zinc/48/39/06/385483906.db2.gz MOZIFNSHYORQNS-NSHDSACASA-N 2 2 233.340 2.808 20 0 BFADLP c1csc([C@@H]2CCC[N@@H+]2Cc2c[nH+]c[nH]2)c1 ZINC000179691962 385483909 /nfs/dbraw/zinc/48/39/09/385483909.db2.gz MOZIFNSHYORQNS-NSHDSACASA-N 2 2 233.340 2.808 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000156602083 385460701 /nfs/dbraw/zinc/46/07/01/385460701.db2.gz FTIKCGILSQMKCJ-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000156602083 385460702 /nfs/dbraw/zinc/46/07/02/385460702.db2.gz FTIKCGILSQMKCJ-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([N@H+](C)Cc1cccc2[nH+]ccn21)C1(C)CC1 ZINC000180702209 385540548 /nfs/dbraw/zinc/54/05/48/385540548.db2.gz HWWUJGSULZNINT-LBPRGKRZSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]([N@@H+](C)Cc1cccc2[nH+]ccn21)C1(C)CC1 ZINC000180702209 385540549 /nfs/dbraw/zinc/54/05/49/385540549.db2.gz HWWUJGSULZNINT-LBPRGKRZSA-N 2 2 243.354 2.955 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000364842308 385525409 /nfs/dbraw/zinc/52/54/09/385525409.db2.gz AXLJSCSRPCJJLM-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000364842308 385525410 /nfs/dbraw/zinc/52/54/10/385525410.db2.gz AXLJSCSRPCJJLM-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000364842308 385525413 /nfs/dbraw/zinc/52/54/13/385525413.db2.gz AXLJSCSRPCJJLM-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000364842308 385525414 /nfs/dbraw/zinc/52/54/14/385525414.db2.gz AXLJSCSRPCJJLM-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2CCC[C@@H]([NH3+])C2)c1Cl ZINC000643030518 385526383 /nfs/dbraw/zinc/52/63/83/385526383.db2.gz WRKTYSYOKYCVHL-ZJUUUORDSA-N 2 2 239.750 2.725 20 0 BFADLP C[C@H]1[C@H]([NH2+]CC2CCCCC2)CCC[N@@H+]1C ZINC000309367906 385555159 /nfs/dbraw/zinc/55/51/59/385555159.db2.gz BMPJGQMEGIDDGI-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1[C@H]([NH2+]CC2CCCCC2)CCC[N@H+]1C ZINC000309367906 385555161 /nfs/dbraw/zinc/55/51/61/385555161.db2.gz BMPJGQMEGIDDGI-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP c1cn(-c2csc(C[NH2+]C3CCC3)c2)c[nH+]1 ZINC000309398222 385563009 /nfs/dbraw/zinc/56/30/09/385563009.db2.gz VUSWYMSXTUKHKC-UHFFFAOYSA-N 2 2 233.340 2.576 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC12CCC2 ZINC000336675922 385600276 /nfs/dbraw/zinc/60/02/76/385600276.db2.gz BRIYFCBYVUWCPH-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC12CCC2 ZINC000336675922 385600281 /nfs/dbraw/zinc/60/02/81/385600281.db2.gz BRIYFCBYVUWCPH-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)C1CC1 ZINC000309447932 385586956 /nfs/dbraw/zinc/58/69/56/385586956.db2.gz LUEZSRNSJZIEJC-LBPRGKRZSA-N 2 2 218.344 2.711 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[N@H+](C)C1CC1 ZINC000337375125 385630123 /nfs/dbraw/zinc/63/01/23/385630123.db2.gz GHVWJKZELXKJIV-AYRXBEOTSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@]21C)[N@@H+](C)C1CC1 ZINC000337375125 385630127 /nfs/dbraw/zinc/63/01/27/385630127.db2.gz GHVWJKZELXKJIV-AYRXBEOTSA-N 2 2 236.403 2.637 20 0 BFADLP C([NH2+][C@H]1CCC12CCC2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000337397357 385635037 /nfs/dbraw/zinc/63/50/37/385635037.db2.gz CAAAXMWNJAVBDW-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@H]1CCC12CCC2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000337397357 385635040 /nfs/dbraw/zinc/63/50/40/385635040.db2.gz CAAAXMWNJAVBDW-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC000063192113 385609518 /nfs/dbraw/zinc/60/95/18/385609518.db2.gz RSSKHDXYRINQQD-VXGBXAGGSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(C)(C)C ZINC000063192113 385609522 /nfs/dbraw/zinc/60/95/22/385609522.db2.gz RSSKHDXYRINQQD-VXGBXAGGSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@H]1[C@H](Nc2cc[nH+]cc2Cl)CCC[N@@H+]1C ZINC000309506637 385641671 /nfs/dbraw/zinc/64/16/71/385641671.db2.gz WBOBZNYJZZIKTL-GXSJLCMTSA-N 2 2 239.750 2.630 20 0 BFADLP C[C@H]1[C@H](Nc2cc[nH+]cc2Cl)CCC[N@H+]1C ZINC000309506637 385641675 /nfs/dbraw/zinc/64/16/75/385641675.db2.gz WBOBZNYJZZIKTL-GXSJLCMTSA-N 2 2 239.750 2.630 20 0 BFADLP Cn1c[nH+]c(CNc2ccc(C3CCC3)c[nH+]2)c1 ZINC000645214852 385675154 /nfs/dbraw/zinc/67/51/54/385675154.db2.gz LQIZIFBKCMXTJO-UHFFFAOYSA-N 2 2 242.326 2.695 20 0 BFADLP CC(C)C[C@@H]([NH3+])CNc1ccc2c(c1)CCC[NH2+]2 ZINC000414854150 385691871 /nfs/dbraw/zinc/69/18/71/385691871.db2.gz UAGBPMCPPBCDGI-CYBMUJFWSA-N 2 2 247.386 2.830 20 0 BFADLP Cc1ccc(CCC[NH2+]C2(C(F)F)CC2)c[nH+]1 ZINC000337555242 385702582 /nfs/dbraw/zinc/70/25/82/385702582.db2.gz VSGUXKOYWBHOFH-UHFFFAOYSA-N 2 2 240.297 2.710 20 0 BFADLP CC(C)c1ccc([C@@H]([NH3+])C[NH2+]CC2CC2)cc1 ZINC000414852002 385668473 /nfs/dbraw/zinc/66/84/73/385668473.db2.gz VGBWOTYFZDZRRB-HNNXBMFYSA-N 2 2 232.371 2.809 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000336696563 385747781 /nfs/dbraw/zinc/74/77/81/385747781.db2.gz NZRDPGSRDQZBNX-VXGBXAGGSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000186322744 385757155 /nfs/dbraw/zinc/75/71/55/385757155.db2.gz JBSYCEMVADRGNT-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000186322744 385757156 /nfs/dbraw/zinc/75/71/56/385757156.db2.gz JBSYCEMVADRGNT-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000186322727 385757170 /nfs/dbraw/zinc/75/71/70/385757170.db2.gz JBSYCEMVADRGNT-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000186322727 385757171 /nfs/dbraw/zinc/75/71/71/385757171.db2.gz JBSYCEMVADRGNT-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccn1 ZINC000020128767 385775179 /nfs/dbraw/zinc/77/51/79/385775179.db2.gz UMDFCJVLZHPGQA-AWEZNQCLSA-N 2 2 247.386 2.608 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC000414951199 385827601 /nfs/dbraw/zinc/82/76/01/385827601.db2.gz HEWYNCDXYHJULA-CYBMUJFWSA-N 2 2 242.366 2.927 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1cccc(CCC)c1 ZINC000414870478 385847459 /nfs/dbraw/zinc/84/74/59/385847459.db2.gz MNAXCIXHRKBZRS-UHFFFAOYSA-N 2 2 234.387 2.728 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000390797117 385904588 /nfs/dbraw/zinc/90/45/88/385904588.db2.gz SXFBFAGOLJVASC-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000390797117 385904592 /nfs/dbraw/zinc/90/45/92/385904592.db2.gz SXFBFAGOLJVASC-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc(CCC[NH2+]C2CC(F)(F)C2)c[nH+]1 ZINC000355125498 385920966 /nfs/dbraw/zinc/92/09/66/385920966.db2.gz QGYKWPCHEOOWHA-UHFFFAOYSA-N 2 2 240.297 2.710 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337984449 385867654 /nfs/dbraw/zinc/86/76/54/385867654.db2.gz BYVSGYRKDDVOLG-GJZGRUSLSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337984449 385867657 /nfs/dbraw/zinc/86/76/57/385867657.db2.gz BYVSGYRKDDVOLG-GJZGRUSLSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337984451 385868694 /nfs/dbraw/zinc/86/86/94/385868694.db2.gz BYVSGYRKDDVOLG-HUUCEWRRSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337984451 385868700 /nfs/dbraw/zinc/86/87/00/385868700.db2.gz BYVSGYRKDDVOLG-HUUCEWRRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[N@H+](C)C1CC1 ZINC000337989865 385869632 /nfs/dbraw/zinc/86/96/32/385869632.db2.gz RMZKRYVPPOFZRF-DFBGVHRSSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)[N@@H+](C)C1CC1 ZINC000337989865 385869633 /nfs/dbraw/zinc/86/96/33/385869633.db2.gz RMZKRYVPPOFZRF-DFBGVHRSSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](CCNc1cccc[nH+]1)[NH+]1CCCCC1 ZINC000273221110 385979980 /nfs/dbraw/zinc/97/99/80/385979980.db2.gz UZIYIRNZXPEPAT-ZDUSSCGKSA-N 2 2 233.359 2.758 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000414132750 385981250 /nfs/dbraw/zinc/98/12/50/385981250.db2.gz ZWWZAMCMSFCSSL-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000414132750 385981256 /nfs/dbraw/zinc/98/12/56/385981256.db2.gz ZWWZAMCMSFCSSL-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000414132794 385981272 /nfs/dbraw/zinc/98/12/72/385981272.db2.gz ZWWZAMCMSFCSSL-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000414132794 385981277 /nfs/dbraw/zinc/98/12/77/385981277.db2.gz ZWWZAMCMSFCSSL-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@@H]1CC1(C)C ZINC000414144996 385992774 /nfs/dbraw/zinc/99/27/74/385992774.db2.gz ULLXJPDEDGTMDK-AGIUHOORSA-N 2 2 247.386 2.612 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)CCC(F)(F)F ZINC000338272526 385936445 /nfs/dbraw/zinc/93/64/45/385936445.db2.gz ZXNFRDCBCLCDDI-UHFFFAOYSA-N 2 2 240.313 2.603 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)CCC(F)(F)F ZINC000338272526 385936453 /nfs/dbraw/zinc/93/64/53/385936453.db2.gz ZXNFRDCBCLCDDI-UHFFFAOYSA-N 2 2 240.313 2.603 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000285547523 385939956 /nfs/dbraw/zinc/93/99/56/385939956.db2.gz GILFTRBQMFOVAD-CQSZACIVSA-N 2 2 249.402 2.773 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000414065596 385942127 /nfs/dbraw/zinc/94/21/27/385942127.db2.gz GBPRDTCAXUBZLX-KBUPBQIOSA-N 2 2 238.419 2.741 20 0 BFADLP CC[C@@H](C)[N@H+](C)CCNc1cccc(C)[nH+]1 ZINC000220336241 385962123 /nfs/dbraw/zinc/96/21/23/385962123.db2.gz CLSKSIXTGSIEMW-GFCCVEGCSA-N 2 2 221.348 2.532 20 0 BFADLP CC[C@@H](C)[N@@H+](C)CCNc1cccc(C)[nH+]1 ZINC000220336241 385962128 /nfs/dbraw/zinc/96/21/28/385962128.db2.gz CLSKSIXTGSIEMW-GFCCVEGCSA-N 2 2 221.348 2.532 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@H]1C[C@@H]1C ZINC000414147960 385997640 /nfs/dbraw/zinc/99/76/40/385997640.db2.gz MWTHHLPEFNXRJS-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@H]1C[C@@H]1C ZINC000414147960 385997642 /nfs/dbraw/zinc/99/76/42/385997642.db2.gz MWTHHLPEFNXRJS-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1C[C@H]1C ZINC000414115644 386008829 /nfs/dbraw/zinc/00/88/29/386008829.db2.gz PRKABRMVNLCETG-MCIONIFRSA-N 2 2 247.386 2.908 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)C1 ZINC000414984636 386095607 /nfs/dbraw/zinc/09/56/07/386095607.db2.gz DSGFNDZLYQJCDE-WOPDTQHZSA-N 2 2 248.361 2.775 20 0 BFADLP CC[C@H](F)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000440783070 386152353 /nfs/dbraw/zinc/15/23/53/386152353.db2.gz KNMVPBVLEGDWOB-AVGNSLFASA-N 2 2 239.338 2.514 20 0 BFADLP CC[C@H](F)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000440783070 386152357 /nfs/dbraw/zinc/15/23/57/386152357.db2.gz KNMVPBVLEGDWOB-AVGNSLFASA-N 2 2 239.338 2.514 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000414351387 386155113 /nfs/dbraw/zinc/15/51/13/386155113.db2.gz VSBRRYADTMGLBG-UONOGXRCSA-N 2 2 224.392 2.805 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000414351387 386155116 /nfs/dbraw/zinc/15/51/16/386155116.db2.gz VSBRRYADTMGLBG-UONOGXRCSA-N 2 2 224.392 2.805 20 0 BFADLP Cn1cccc1[C@@H]1CCC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414684086 386168655 /nfs/dbraw/zinc/16/86/55/386168655.db2.gz UUDJHAIMJYXEIS-AWEZNQCLSA-N 2 2 249.402 2.550 20 0 BFADLP Cn1cccc1[C@@H]1CCC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414684086 386168660 /nfs/dbraw/zinc/16/86/60/386168660.db2.gz UUDJHAIMJYXEIS-AWEZNQCLSA-N 2 2 249.402 2.550 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccccc2)C1 ZINC000414333397 386127994 /nfs/dbraw/zinc/12/79/94/386127994.db2.gz FISAWHRNAQJVBR-FMKPAKJESA-N 2 2 246.398 2.862 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)c2ccccc2)C1 ZINC000414333397 386127996 /nfs/dbraw/zinc/12/79/96/386127996.db2.gz FISAWHRNAQJVBR-FMKPAKJESA-N 2 2 246.398 2.862 20 0 BFADLP CC[C@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1Cl ZINC000414988392 386129840 /nfs/dbraw/zinc/12/98/40/386129840.db2.gz ZUOYCXITENGDDB-VIFPVBQESA-N 2 2 247.169 2.820 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000347063631 386213215 /nfs/dbraw/zinc/21/32/15/386213215.db2.gz CHAIZKWNRPBTOE-OMDKTOEGSA-N 2 2 248.345 2.523 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000347063631 386213219 /nfs/dbraw/zinc/21/32/19/386213219.db2.gz CHAIZKWNRPBTOE-OMDKTOEGSA-N 2 2 248.345 2.523 20 0 BFADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccsc2)c2ccccc21 ZINC000132101327 386219005 /nfs/dbraw/zinc/21/90/05/386219005.db2.gz FNBUJTUNJDAPTL-KBPBESRZSA-N 2 2 244.363 2.983 20 0 BFADLP Cc1ccc(C[N@@H+](C)C[C@H]([NH3+])CC(C)C)s1 ZINC000414707882 386220525 /nfs/dbraw/zinc/22/05/25/386220525.db2.gz ZKAMRGFCGRMHRB-GFCCVEGCSA-N 2 2 240.416 2.862 20 0 BFADLP Cc1ccc(C[N@H+](C)C[C@H]([NH3+])CC(C)C)s1 ZINC000414707882 386220532 /nfs/dbraw/zinc/22/05/32/386220532.db2.gz ZKAMRGFCGRMHRB-GFCCVEGCSA-N 2 2 240.416 2.862 20 0 BFADLP Cc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC(C)C)s1 ZINC000414707884 386220609 /nfs/dbraw/zinc/22/06/09/386220609.db2.gz ZKAMRGFCGRMHRB-LBPRGKRZSA-N 2 2 240.416 2.862 20 0 BFADLP Cc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC(C)C)s1 ZINC000414707884 386220612 /nfs/dbraw/zinc/22/06/12/386220612.db2.gz ZKAMRGFCGRMHRB-LBPRGKRZSA-N 2 2 240.416 2.862 20 0 BFADLP Cc1ccc(C)c(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000347032554 386223414 /nfs/dbraw/zinc/22/34/14/386223414.db2.gz BNEIBCHXJOKQAP-INIZCTEOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C)c(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000347032554 386223418 /nfs/dbraw/zinc/22/34/18/386223418.db2.gz BNEIBCHXJOKQAP-INIZCTEOSA-N 2 2 244.382 2.630 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000275598203 386225723 /nfs/dbraw/zinc/22/57/23/386225723.db2.gz PLLSKTBWJAOUKP-HZPDHXFCSA-N 2 2 246.398 2.549 20 0 BFADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000347114531 386231344 /nfs/dbraw/zinc/23/13/44/386231344.db2.gz UALYNFCYIVRWOD-NSHDSACASA-N 2 2 240.778 2.736 20 0 BFADLP Cc1cc(Cl)cc(C)c1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000347114531 386231346 /nfs/dbraw/zinc/23/13/46/386231346.db2.gz UALYNFCYIVRWOD-NSHDSACASA-N 2 2 240.778 2.736 20 0 BFADLP Cc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1C ZINC000347086417 386245610 /nfs/dbraw/zinc/24/56/10/386245610.db2.gz DVUHCPIVYMTBGY-INIZCTEOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1C ZINC000347086417 386245614 /nfs/dbraw/zinc/24/56/14/386245614.db2.gz DVUHCPIVYMTBGY-INIZCTEOSA-N 2 2 244.382 2.630 20 0 BFADLP CCc1cccc(Cl)c1C[NH2+]C[C@@H]([NH3+])CC ZINC000414997763 386194356 /nfs/dbraw/zinc/19/43/56/386194356.db2.gz ZPMPSQXVEUSSIL-NSHDSACASA-N 2 2 240.778 2.729 20 0 BFADLP CC[C@@H](C)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336682331 386341521 /nfs/dbraw/zinc/34/15/21/386341521.db2.gz RLJIKBMWPPWGMX-LLVKDONJSA-N 2 2 221.348 2.635 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000094079862 386444143 /nfs/dbraw/zinc/44/41/43/386444143.db2.gz NVSRFDRWGJQRKU-BLLLJJGKSA-N 2 2 244.382 2.578 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000414758035 386404232 /nfs/dbraw/zinc/40/42/32/386404232.db2.gz BNPAVASVFSRELQ-CHWSQXEVSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000414758035 386404236 /nfs/dbraw/zinc/40/42/36/386404236.db2.gz BNPAVASVFSRELQ-CHWSQXEVSA-N 2 2 226.408 2.870 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000519381485 386420218 /nfs/dbraw/zinc/42/02/18/386420218.db2.gz NOCBPTRLIAITCP-CYBMUJFWSA-N 2 2 238.762 2.526 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000417353532 386490190 /nfs/dbraw/zinc/49/01/90/386490190.db2.gz JFWWRJMJOUTYAH-KGLIPLIRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000415014747 386501109 /nfs/dbraw/zinc/50/11/09/386501109.db2.gz XHTLIOCLSARHSS-YUMQZZPRSA-N 2 2 247.169 2.819 20 0 BFADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000417359317 386507003 /nfs/dbraw/zinc/50/70/03/386507003.db2.gz VLULZFRWVIVJHL-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc[nH+]c(N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000335447385 386515455 /nfs/dbraw/zinc/51/54/55/386515455.db2.gz IOHCFNOVSKGLBB-UHFFFAOYSA-N 2 2 247.386 2.701 20 0 BFADLP Cc1cc[nH+]c(N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000335447385 386515461 /nfs/dbraw/zinc/51/54/61/386515461.db2.gz IOHCFNOVSKGLBB-UHFFFAOYSA-N 2 2 247.386 2.701 20 0 BFADLP Cc1cccc(CCCNc2cc[nH+]cc2C)[nH+]1 ZINC000343235283 386519349 /nfs/dbraw/zinc/51/93/49/386519349.db2.gz PAOASKGXMAIFLM-UHFFFAOYSA-N 2 2 241.338 2.560 20 0 BFADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)[C@@H]2CCC[C@H]21 ZINC000339714033 386522086 /nfs/dbraw/zinc/52/20/86/386522086.db2.gz ADRVZMCICOYTOC-ZIAGYGMSSA-N 2 2 247.386 2.784 20 0 BFADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)[C@@H]2CCC[C@H]21 ZINC000339714033 386522097 /nfs/dbraw/zinc/52/20/97/386522097.db2.gz ADRVZMCICOYTOC-ZIAGYGMSSA-N 2 2 247.386 2.784 20 0 BFADLP C[N@H+](Cc1cccc2[nH+]ccn21)C(C)(C)C ZINC000335450443 386522656 /nfs/dbraw/zinc/52/26/56/386522656.db2.gz YNGSLILTRVMTOY-UHFFFAOYSA-N 2 2 217.316 2.565 20 0 BFADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C(C)(C)C ZINC000335450443 386522660 /nfs/dbraw/zinc/52/26/60/386522660.db2.gz YNGSLILTRVMTOY-UHFFFAOYSA-N 2 2 217.316 2.565 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394863070 386463492 /nfs/dbraw/zinc/46/34/92/386463492.db2.gz NJCWMAIVDRLWOH-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394863070 386463494 /nfs/dbraw/zinc/46/34/94/386463494.db2.gz NJCWMAIVDRLWOH-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CCn1c[nH+]cc1C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000417702230 386582154 /nfs/dbraw/zinc/58/21/54/386582154.db2.gz OUKBVJJVYRFGMG-OAHLLOKOSA-N 2 2 241.338 2.850 20 0 BFADLP CCn1c[nH+]cc1C[N@H+]1CC[C@@H]1c1ccccc1 ZINC000417702230 386582171 /nfs/dbraw/zinc/58/21/71/386582171.db2.gz OUKBVJJVYRFGMG-OAHLLOKOSA-N 2 2 241.338 2.850 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)s1 ZINC000520197530 386598602 /nfs/dbraw/zinc/59/86/02/386598602.db2.gz ZNEVRXGDRLWZQA-LLVKDONJSA-N 2 2 238.400 2.542 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)cc1F ZINC000414800285 386586357 /nfs/dbraw/zinc/58/63/57/386586357.db2.gz SCTLIMDOHKSPKM-LBPRGKRZSA-N 2 2 244.741 2.552 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397884257 386531688 /nfs/dbraw/zinc/53/16/88/386531688.db2.gz MNDULECLUJTBSL-OLZOCXBDSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)=CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267411933 386539495 /nfs/dbraw/zinc/53/94/95/386539495.db2.gz IMFZUUXQEOJDJF-GFCCVEGCSA-N 2 2 219.332 2.555 20 0 BFADLP CC(C)=CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267411933 386539499 /nfs/dbraw/zinc/53/94/99/386539499.db2.gz IMFZUUXQEOJDJF-GFCCVEGCSA-N 2 2 219.332 2.555 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000123236829 386547808 /nfs/dbraw/zinc/54/78/08/386547808.db2.gz PQOWPECUYOTHNB-INIZCTEOSA-N 2 2 240.350 2.634 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000123236829 386547817 /nfs/dbraw/zinc/54/78/17/386547817.db2.gz PQOWPECUYOTHNB-INIZCTEOSA-N 2 2 240.350 2.634 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000063191667 386553759 /nfs/dbraw/zinc/55/37/59/386553759.db2.gz OGRDASQRJXCHPM-OCCSQVGLSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC000063191667 386553767 /nfs/dbraw/zinc/55/37/67/386553767.db2.gz OGRDASQRJXCHPM-OCCSQVGLSA-N 2 2 224.392 2.768 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000414802394 386597543 /nfs/dbraw/zinc/59/75/43/386597543.db2.gz VRGZCWZWCPPBAI-GFCCVEGCSA-N 2 2 244.741 2.552 20 0 BFADLP CC(C)C[C@H]([NH3+])C[NH2+]Cc1ccccc1Cl ZINC000415072956 386559446 /nfs/dbraw/zinc/55/94/46/386559446.db2.gz AMVGBQZVARFMNI-LBPRGKRZSA-N 2 2 240.778 2.803 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335498314 386623837 /nfs/dbraw/zinc/62/38/37/386623837.db2.gz JKDFVRNTKZWETH-RYUDHWBXSA-N 2 2 238.400 2.849 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335498315 386623911 /nfs/dbraw/zinc/62/39/11/386623911.db2.gz JKDFVRNTKZWETH-VXGBXAGGSA-N 2 2 238.400 2.849 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CC[NH3+] ZINC000300850476 386624704 /nfs/dbraw/zinc/62/47/04/386624704.db2.gz SOOCONUJWKBGFP-ZDUSSCGKSA-N 2 2 224.323 2.557 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](CC)CC[NH3+] ZINC000300850476 386624711 /nfs/dbraw/zinc/62/47/11/386624711.db2.gz SOOCONUJWKBGFP-ZDUSSCGKSA-N 2 2 224.323 2.557 20 0 BFADLP C[NH2+]CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000414819230 386671504 /nfs/dbraw/zinc/67/15/04/386671504.db2.gz HBPKSAPNQCAQCT-UHFFFAOYSA-N 2 2 246.379 2.724 20 0 BFADLP Cc1oc2ccccc2c1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414822336 386674582 /nfs/dbraw/zinc/67/45/82/386674582.db2.gz DWPJRRXFKPXKRM-GFCCVEGCSA-N 2 2 244.338 2.583 20 0 BFADLP Cc1cc(C)cc([N@H+](C)CC2CC[NH2+]CC2)c1 ZINC000049974078 386683988 /nfs/dbraw/zinc/68/39/88/386683988.db2.gz BVZWCEDBCKFXOR-UHFFFAOYSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1cc(C)cc([N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000049974078 386683991 /nfs/dbraw/zinc/68/39/91/386683991.db2.gz BVZWCEDBCKFXOR-UHFFFAOYSA-N 2 2 232.371 2.739 20 0 BFADLP C[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)[NH+](C)C ZINC000268834110 386702334 /nfs/dbraw/zinc/70/23/34/386702334.db2.gz DAGVQSDQGGLSLD-XJKSGUPXSA-N 2 2 246.398 2.547 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000043327166 386707566 /nfs/dbraw/zinc/70/75/66/386707566.db2.gz FPTSBPOAIDGOQA-UONOGXRCSA-N 2 2 232.371 2.706 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000043327165 386708140 /nfs/dbraw/zinc/70/81/40/386708140.db2.gz FPTSBPOAIDGOQA-ZIAGYGMSSA-N 2 2 232.371 2.706 20 0 BFADLP Cc1cccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)c1 ZINC000414837187 386735644 /nfs/dbraw/zinc/73/56/44/386735644.db2.gz UJJGGZXVVXONOE-MRXNPFEDSA-N 2 2 240.350 2.785 20 0 BFADLP C[C@H](c1cccc(F)c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335486072 386718052 /nfs/dbraw/zinc/71/80/52/386718052.db2.gz GTMWUXXRQNHDRB-GFCCVEGCSA-N 2 2 248.345 2.715 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000414929068 386721827 /nfs/dbraw/zinc/72/18/27/386721827.db2.gz NKLMBJCVOGIBJF-CJNGLKHVSA-N 2 2 246.398 2.898 20 0 BFADLP c1ccc2[nH+]c(NC[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000044502879 386722721 /nfs/dbraw/zinc/72/27/21/386722721.db2.gz WBCLNRLFGDHUCI-LBPRGKRZSA-N 2 2 241.338 2.646 20 0 BFADLP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414934504 386803800 /nfs/dbraw/zinc/80/38/00/386803800.db2.gz UWJNUZZQNFUWCM-SNVBAGLBSA-N 2 2 248.301 2.523 20 0 BFADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414937950 386848712 /nfs/dbraw/zinc/84/87/12/386848712.db2.gz DTFCEHDIMHEOMY-WBMJQRKESA-N 2 2 244.382 2.794 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000414939300 386858538 /nfs/dbraw/zinc/85/85/38/386858538.db2.gz FQXDGKDZXCACDG-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165161228 386872469 /nfs/dbraw/zinc/87/24/69/386872469.db2.gz NMONSFSXZBUINS-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000165166054 386874518 /nfs/dbraw/zinc/87/45/18/386874518.db2.gz OIUSRASBVVPFCR-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000165165679 386875254 /nfs/dbraw/zinc/87/52/54/386875254.db2.gz OIUSRASBVVPFCR-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CCC([NH2+][C@H]2C[N@H+](CC)C[C@H]2C)CC1 ZINC000340440267 386876685 /nfs/dbraw/zinc/87/66/85/386876685.db2.gz WOXBJEBGYVOSME-URGYJCLVSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CCC([NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)CC1 ZINC000340440267 386876689 /nfs/dbraw/zinc/87/66/89/386876689.db2.gz WOXBJEBGYVOSME-URGYJCLVSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000334849408 386897959 /nfs/dbraw/zinc/89/79/59/386897959.db2.gz QJPQUGYZXTZEJY-LBPRGKRZSA-N 2 2 244.338 2.583 20 0 BFADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000334849400 386898999 /nfs/dbraw/zinc/89/89/99/386898999.db2.gz QJPQUGYZXTZEJY-GFCCVEGCSA-N 2 2 244.338 2.583 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000358390511 386947007 /nfs/dbraw/zinc/94/70/07/386947007.db2.gz DQTVQKGHCMVCQT-KCQAQPDRSA-N 2 2 232.371 2.596 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000358390511 386947014 /nfs/dbraw/zinc/94/70/14/386947014.db2.gz DQTVQKGHCMVCQT-KCQAQPDRSA-N 2 2 232.371 2.596 20 0 BFADLP c1cc2c(cc1N[C@H]1CCC[NH2+]CC1)CCC[NH2+]2 ZINC000334865606 386922260 /nfs/dbraw/zinc/92/22/60/386922260.db2.gz VOIJBXXMRAIQCU-ZDUSSCGKSA-N 2 2 245.370 2.599 20 0 BFADLP CCCCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367994574 386925974 /nfs/dbraw/zinc/92/59/74/386925974.db2.gz LNDXOKNPNDIZGS-NEPJUHHUSA-N 2 2 235.375 2.825 20 0 BFADLP CCCCC[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367994574 386925978 /nfs/dbraw/zinc/92/59/78/386925978.db2.gz LNDXOKNPNDIZGS-NEPJUHHUSA-N 2 2 235.375 2.825 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)c2ccccc2)n1C ZINC000519000507 386981986 /nfs/dbraw/zinc/98/19/86/386981986.db2.gz DRGOVAPESVVQBU-LBPRGKRZSA-N 2 2 243.354 2.622 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336745735 387008421 /nfs/dbraw/zinc/00/84/21/387008421.db2.gz QWLHWNRPRVNSKU-MBNYWOFBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336745735 387008423 /nfs/dbraw/zinc/00/84/23/387008423.db2.gz QWLHWNRPRVNSKU-MBNYWOFBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358385023 386948365 /nfs/dbraw/zinc/94/83/65/386948365.db2.gz QKTWSVQIDBZULC-IIAWOOMASA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358385023 386948370 /nfs/dbraw/zinc/94/83/70/386948370.db2.gz QKTWSVQIDBZULC-IIAWOOMASA-N 2 2 246.398 2.547 20 0 BFADLP C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccco1 ZINC000019905791 387062445 /nfs/dbraw/zinc/06/24/45/387062445.db2.gz ZQYPSAJJYJISEP-LLVKDONJSA-N 2 2 224.348 2.518 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](Cc2cc(C)sc2C)C1 ZINC000053201903 387020469 /nfs/dbraw/zinc/02/04/69/387020469.db2.gz AJHKJQOMVGXIBY-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000053201903 387020472 /nfs/dbraw/zinc/02/04/72/387020472.db2.gz AJHKJQOMVGXIBY-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CCCn1cc[nH+]c1 ZINC000068986072 387109633 /nfs/dbraw/zinc/10/96/33/387109633.db2.gz AYNVPMDYCTZBOH-CYBMUJFWSA-N 2 2 223.364 2.832 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000068987312 387110290 /nfs/dbraw/zinc/11/02/90/387110290.db2.gz MJIGUZJZHPHTDW-OLZOCXBDSA-N 2 2 224.392 2.782 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000068987312 387110292 /nfs/dbraw/zinc/11/02/92/387110292.db2.gz MJIGUZJZHPHTDW-OLZOCXBDSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc2ccccc2s1 ZINC000335028390 387123023 /nfs/dbraw/zinc/12/30/23/387123023.db2.gz JFPYNMCOEDHPQT-ZYHUDNBSSA-N 2 2 246.379 2.914 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1cccc(C)c1 ZINC000423307938 387142726 /nfs/dbraw/zinc/14/27/26/387142726.db2.gz IFAHPQWCCMVUHN-CYBMUJFWSA-N 2 2 220.360 2.645 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000423308735 387143704 /nfs/dbraw/zinc/14/37/04/387143704.db2.gz JWLPECZILQKZPK-AWEZNQCLSA-N 2 2 234.387 2.954 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000423310326 387146996 /nfs/dbraw/zinc/14/69/96/387146996.db2.gz NIALSAJOWNEMHS-ZDUSSCGKSA-N 2 2 234.387 2.899 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccsc1 ZINC000423311046 387148111 /nfs/dbraw/zinc/14/81/11/387148111.db2.gz OYXOIKCVVAPGLS-GFCCVEGCSA-N 2 2 226.389 2.788 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000423313491 387151201 /nfs/dbraw/zinc/15/12/01/387151201.db2.gz ULGNPELNPGNPIZ-OAHLLOKOSA-N 2 2 246.398 2.998 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423315342 387154069 /nfs/dbraw/zinc/15/40/69/387154069.db2.gz XHIABNJCZIHBLG-JTQLQIEISA-N 2 2 242.313 2.615 20 0 BFADLP C[C@H]1[C@@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000418135018 387155413 /nfs/dbraw/zinc/15/54/13/387155413.db2.gz QNVOPWITDCEAER-JHJVBQTASA-N 2 2 243.354 2.811 20 0 BFADLP C[C@H]1[C@@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000418135018 387155417 /nfs/dbraw/zinc/15/54/17/387155417.db2.gz QNVOPWITDCEAER-JHJVBQTASA-N 2 2 243.354 2.811 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000423319468 387162026 /nfs/dbraw/zinc/16/20/26/387162026.db2.gz ZYRAMUFJIUJZFO-AWEZNQCLSA-N 2 2 234.387 2.954 20 0 BFADLP CC[C@H](C)C[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418147290 387170552 /nfs/dbraw/zinc/17/05/52/387170552.db2.gz QWFDTRGGYBAMCV-ZDUSSCGKSA-N 2 2 226.408 2.839 20 0 BFADLP CC[C@H](C)C[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418147290 387170556 /nfs/dbraw/zinc/17/05/56/387170556.db2.gz QWFDTRGGYBAMCV-ZDUSSCGKSA-N 2 2 226.408 2.839 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)Cn1cc[nH+]c1 ZINC000193127828 387170628 /nfs/dbraw/zinc/17/06/28/387170628.db2.gz YFCZWKUSEANXRF-MCIONIFRSA-N 2 2 249.402 2.934 20 0 BFADLP CC(C)C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccccn1 ZINC000423334353 387180288 /nfs/dbraw/zinc/18/02/88/387180288.db2.gz SUDHXZLOKLSGBL-AWEZNQCLSA-N 2 2 247.386 2.640 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1F ZINC000423336680 387182824 /nfs/dbraw/zinc/18/28/24/387182824.db2.gz XYJJGCMXPBBOTI-UONOGXRCSA-N 2 2 236.334 2.604 20 0 BFADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000062103684 387183813 /nfs/dbraw/zinc/18/38/13/387183813.db2.gz PGOZNFQYJQVBSS-UHFFFAOYSA-N 2 2 236.359 2.632 20 0 BFADLP CC[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1F ZINC000423336675 387184053 /nfs/dbraw/zinc/18/40/53/387184053.db2.gz XYJJGCMXPBBOTI-KBPBESRZSA-N 2 2 236.334 2.604 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370680920 387134165 /nfs/dbraw/zinc/13/41/65/387134165.db2.gz BOYAWACMWZGYTM-WCQYABFASA-N 2 2 235.375 2.847 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C)o1 ZINC000423302611 387135024 /nfs/dbraw/zinc/13/50/24/387135024.db2.gz VVAQUMRSWMHVGP-VXGBXAGGSA-N 2 2 224.348 2.756 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cnccc1C ZINC000423304741 387138826 /nfs/dbraw/zinc/13/88/26/387138826.db2.gz ZIBZVKYQYHBEQK-QWHCGFSZSA-N 2 2 235.375 2.558 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)oc1C ZINC000423354408 387206288 /nfs/dbraw/zinc/20/62/88/387206288.db2.gz CWIBAJUKNUZBLX-SUZMYJTESA-N 2 2 236.359 2.545 20 0 BFADLP CC[N@H+](CC[NH2+]C[C@H]1CCC[C@H](C)C1)C1CC1 ZINC000300412485 387206662 /nfs/dbraw/zinc/20/66/62/387206662.db2.gz VBSZJGPTBRQBNN-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+](CC[NH2+]C[C@H]1CCC[C@H](C)C1)C1CC1 ZINC000300412485 387206667 /nfs/dbraw/zinc/20/66/67/387206667.db2.gz VBSZJGPTBRQBNN-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000423358667 387210776 /nfs/dbraw/zinc/21/07/76/387210776.db2.gz JQLQYEDWPXGSRE-INWMFGNUSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)o1 ZINC000423360411 387212926 /nfs/dbraw/zinc/21/29/26/387212926.db2.gz LJNWGZHUIPBSHW-CHIMOYNISA-N 2 2 236.359 2.545 20 0 BFADLP CCc1c2ccccc2oc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423363498 387214737 /nfs/dbraw/zinc/21/47/37/387214737.db2.gz JEWAFEZWSHBLDX-QWRGUYRKSA-N 2 2 246.354 2.993 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)s1 ZINC000423369287 387220489 /nfs/dbraw/zinc/22/04/89/387220489.db2.gz OCIFFDQNAIVMOQ-YUMQZZPRSA-N 2 2 232.780 2.789 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423367856 387221865 /nfs/dbraw/zinc/22/18/65/387221865.db2.gz RNFLQQRGRYSQTC-KCQAQPDRSA-N 2 2 232.371 2.644 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000423370940 387223343 /nfs/dbraw/zinc/22/33/43/387223343.db2.gz FBKRNVMNMYKHGO-JMSVASOKSA-N 2 2 232.371 2.508 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423373086 387227114 /nfs/dbraw/zinc/22/71/14/387227114.db2.gz WESJUKNWPSEIOI-DLOVCJGASA-N 2 2 238.400 2.705 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000423371781 387227303 /nfs/dbraw/zinc/22/73/03/387227303.db2.gz FSTYBGWADSLRBU-GHMZBOCLSA-N 2 2 240.778 2.989 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000423403744 387239977 /nfs/dbraw/zinc/23/99/77/387239977.db2.gz ZLQHQNPRGHYBKM-DOMZBBRYSA-N 2 2 247.386 2.510 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000423374582 387255019 /nfs/dbraw/zinc/25/50/19/387255019.db2.gz CKVHUSBAGCVNKB-YWPYICTPSA-N 2 2 232.371 2.823 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(C)c1 ZINC000423385135 387267681 /nfs/dbraw/zinc/26/76/81/387267681.db2.gz QNRKKKJFKXAABC-CHWSQXEVSA-N 2 2 220.360 2.644 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423384525 387269413 /nfs/dbraw/zinc/26/94/13/387269413.db2.gz GBBAUUJBGLEUGJ-ZANVPECISA-N 2 2 242.313 2.599 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1C)[NH+](C)C ZINC000321600243 387281637 /nfs/dbraw/zinc/28/16/37/387281637.db2.gz PZYGZBGRNXWMLG-AAVRWANBSA-N 2 2 226.408 2.597 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423434359 387283506 /nfs/dbraw/zinc/28/35/06/387283506.db2.gz RUVNEIRJQCXEAM-HOTGVXAUSA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423434363 387286138 /nfs/dbraw/zinc/28/61/38/387286138.db2.gz RUVNEIRJQCXEAM-JKSUJKDBSA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CC1 ZINC000423434361 387286513 /nfs/dbraw/zinc/28/65/13/387286513.db2.gz RUVNEIRJQCXEAM-HZPDHXFCSA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@H]([NH2+][C@H](C)[C@@H](C)[NH3+])c1cc(F)ccc1F ZINC000423437119 387287927 /nfs/dbraw/zinc/28/79/27/387287927.db2.gz GBFRDDAMXCHSKY-KKFJDGPESA-N 2 2 242.313 2.741 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C(C)C ZINC000423439742 387289519 /nfs/dbraw/zinc/28/95/19/387289519.db2.gz VKWJNVDUWKEYDO-JKSUJKDBSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C1C(C)(C)C1(C)C ZINC000353940942 387301813 /nfs/dbraw/zinc/30/18/13/387301813.db2.gz DOZSYPRFSCEYJB-NSHDSACASA-N 2 2 235.375 2.543 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+]CC1CCCCCC1)CC2 ZINC000336478668 387305383 /nfs/dbraw/zinc/30/53/83/387305383.db2.gz ZIQGZCPHIGDFNM-CQSZACIVSA-N 2 2 247.386 2.758 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423459097 387306451 /nfs/dbraw/zinc/30/64/51/387306451.db2.gz HPSFBCVVEUUWNQ-GXSJLCMTSA-N 2 2 249.383 2.684 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000423458180 387306778 /nfs/dbraw/zinc/30/67/78/387306778.db2.gz GNRADDCNSUXTPW-GWCFXTLKSA-N 2 2 242.313 2.743 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000643501830 387354175 /nfs/dbraw/zinc/35/41/75/387354175.db2.gz QRQQKAFJOHSDSL-LSDHHAIUSA-N 2 2 247.386 2.655 20 0 BFADLP Fc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501742 387354396 /nfs/dbraw/zinc/35/43/96/387354396.db2.gz PBTFYEDGQBFMMY-NHYWBVRUSA-N 2 2 248.345 2.545 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000643501870 387354452 /nfs/dbraw/zinc/35/44/52/387354452.db2.gz RHDGYZBHSWCOKC-ZIAGYGMSSA-N 2 2 247.386 2.655 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502179 387356796 /nfs/dbraw/zinc/35/67/96/387356796.db2.gz ZHIUGXDGRBWVEN-INWMFGNUSA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423480735 387361491 /nfs/dbraw/zinc/36/14/91/387361491.db2.gz WIKONEWUYHDDEK-AAEUAGOBSA-N 2 2 243.354 2.623 20 0 BFADLP CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000643453353 387368376 /nfs/dbraw/zinc/36/83/76/387368376.db2.gz BMPAQCDAZFXNLZ-YDHLFZDLSA-N 2 2 247.386 2.653 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccs1 ZINC000423546478 387371354 /nfs/dbraw/zinc/37/13/54/387371354.db2.gz FHSOQHJJAJEFAY-VXGBXAGGSA-N 2 2 238.400 2.931 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423551672 387372006 /nfs/dbraw/zinc/37/20/06/387372006.db2.gz JJEMMQDWEWUKHC-KGLIPLIRSA-N 2 2 232.371 2.788 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000423551678 387372176 /nfs/dbraw/zinc/37/21/76/387372176.db2.gz JJIRRJSANCCXMK-DZGCQCFKSA-N 2 2 232.371 2.788 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000423559813 387375263 /nfs/dbraw/zinc/37/52/63/387375263.db2.gz PGFXYELLOJEECZ-CHWSQXEVSA-N 2 2 238.400 2.931 20 0 BFADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000373517511 387378218 /nfs/dbraw/zinc/37/82/18/387378218.db2.gz ASZCETKSXSSKKB-IYXRBSQSSA-N 2 2 248.370 2.947 20 0 BFADLP Cc1ccnc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000423507784 387346231 /nfs/dbraw/zinc/34/62/31/387346231.db2.gz QKRDEGLHRNGEAV-IUODEOHRSA-N 2 2 247.386 2.558 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643500949 387347566 /nfs/dbraw/zinc/34/75/66/387347566.db2.gz KEGNEXCDFMEYSW-RYUDHWBXSA-N 2 2 238.400 2.849 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643500892 387348034 /nfs/dbraw/zinc/34/80/34/387348034.db2.gz GMSSZALLPCGCJC-GOEBONIOSA-N 2 2 244.382 2.714 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000360772026 387350197 /nfs/dbraw/zinc/35/01/97/387350197.db2.gz KVKINNJRBPPHQY-MRLBHPIUSA-N 2 2 238.419 2.598 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000360772026 387350201 /nfs/dbraw/zinc/35/02/01/387350201.db2.gz KVKINNJRBPPHQY-MRLBHPIUSA-N 2 2 238.419 2.598 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1cccc(C)c1 ZINC000287027193 387351676 /nfs/dbraw/zinc/35/16/76/387351676.db2.gz LOIVWMSVMJVELO-CQSZACIVSA-N 2 2 220.360 2.597 20 0 BFADLP CC[C@H]([NH2+]CC[NH+](C)C)c1cccc(C)c1 ZINC000287027190 387351928 /nfs/dbraw/zinc/35/19/28/387351928.db2.gz LOIVWMSVMJVELO-AWEZNQCLSA-N 2 2 220.360 2.597 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000643501829 387353933 /nfs/dbraw/zinc/35/39/33/387353933.db2.gz QRQQKAFJOHSDSL-HUUCEWRRSA-N 2 2 247.386 2.655 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000643468949 387424123 /nfs/dbraw/zinc/42/41/23/387424123.db2.gz PUKYBPVTPJONCA-UHOFOFEASA-N 2 2 244.382 2.712 20 0 BFADLP FC(F)(F)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374211418 387432939 /nfs/dbraw/zinc/43/29/39/387432939.db2.gz KGNSFNZPTKVOHV-UHFFFAOYSA-N 2 2 247.264 2.542 20 0 BFADLP CC(C)CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 ZINC000304283271 387456983 /nfs/dbraw/zinc/45/69/83/387456983.db2.gz FQPWPLBFGLKLEA-TZMCWYRMSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)C1(C)CC1)CCC2 ZINC000361670686 387520108 /nfs/dbraw/zinc/52/01/08/387520108.db2.gz KSXFEHIPEFEGJC-CHWSQXEVSA-N 2 2 247.386 2.847 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C1(C)CC1 ZINC000361669384 387521140 /nfs/dbraw/zinc/52/11/40/387521140.db2.gz BCESZSJWRZLIRB-VXGBXAGGSA-N 2 2 233.359 2.539 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c[nH+]1 ZINC000425375722 387526284 /nfs/dbraw/zinc/52/62/84/387526284.db2.gz UIBZZTAPFMARBD-QDMKHBRRSA-N 2 2 230.355 2.711 20 0 BFADLP CC1(C)Cc2occc2[C@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643505891 387463477 /nfs/dbraw/zinc/46/34/77/387463477.db2.gz CNZKLVLCOSCLKR-CYBMUJFWSA-N 2 2 248.370 2.635 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643505995 387463774 /nfs/dbraw/zinc/46/37/74/387463774.db2.gz HGKCDHFTDARTMZ-BLLLJJGKSA-N 2 2 244.382 2.967 20 0 BFADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000643505971 387464462 /nfs/dbraw/zinc/46/44/62/387464462.db2.gz GLQQEEVSSAHNOE-JTQLQIEISA-N 2 2 238.762 2.743 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643505997 387464569 /nfs/dbraw/zinc/46/45/69/387464569.db2.gz HGKCDHFTDARTMZ-MLGOLLRUSA-N 2 2 244.382 2.967 20 0 BFADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(C)cc1 ZINC000643506064 387465242 /nfs/dbraw/zinc/46/52/42/387465242.db2.gz JPZAURHRHXLYQI-OAHLLOKOSA-N 2 2 232.371 2.788 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506891 387466958 /nfs/dbraw/zinc/46/69/58/387466958.db2.gz LRDSBSRBWZRCHQ-DOMZBBRYSA-N 2 2 244.382 2.885 20 0 BFADLP C[C@@H]1[C@H]([NH2+]CC[NH2+]C2CC2)C[C@@H]1c1ccccc1 ZINC000643507889 387479367 /nfs/dbraw/zinc/47/93/67/387479367.db2.gz VANQSTODJCJEGJ-VBNZEHGJSA-N 2 2 244.382 2.520 20 0 BFADLP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000336711129 387580121 /nfs/dbraw/zinc/58/01/21/387580121.db2.gz PJALEGRTVLYUGA-LSDHHAIUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000336711129 387580125 /nfs/dbraw/zinc/58/01/25/387580125.db2.gz PJALEGRTVLYUGA-LSDHHAIUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000536861687 387585312 /nfs/dbraw/zinc/58/53/12/387585312.db2.gz FVGIJKDFEIZNIH-HIFRSBDPSA-N 2 2 240.435 2.987 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000536861687 387585316 /nfs/dbraw/zinc/58/53/16/387585316.db2.gz FVGIJKDFEIZNIH-HIFRSBDPSA-N 2 2 240.435 2.987 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2cccnc21 ZINC000643514557 387598652 /nfs/dbraw/zinc/59/86/52/387598652.db2.gz QTBPUAPUPXGQNU-UONOGXRCSA-N 2 2 247.386 2.566 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037157468 387559643 /nfs/dbraw/zinc/55/96/43/387559643.db2.gz AGKRXDQCAIERKK-CHWSQXEVSA-N 2 2 223.364 2.686 20 0 BFADLP CC(C)C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120458711 387568617 /nfs/dbraw/zinc/56/86/17/387568617.db2.gz NDIPQZTXNJIOAE-QWHCGFSZSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)C1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120458711 387568619 /nfs/dbraw/zinc/56/86/19/387568619.db2.gz NDIPQZTXNJIOAE-QWHCGFSZSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000430696285 387641015 /nfs/dbraw/zinc/64/10/15/387641015.db2.gz PYDBSPYRPRITFH-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@H]1CCC[NH2+]1 ZINC000422765392 387666350 /nfs/dbraw/zinc/66/63/50/387666350.db2.gz PDMWVSDLWSNISO-VCTAVGKDSA-N 2 2 248.345 2.543 20 0 BFADLP CC(C)CCC[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376766380 387667165 /nfs/dbraw/zinc/66/71/65/387667165.db2.gz FAAAXPDGVDFGSR-UHFFFAOYSA-N 2 2 235.375 2.745 20 0 BFADLP C[C@H]([NH2+][C@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422770031 387670487 /nfs/dbraw/zinc/67/04/87/387670487.db2.gz WFFWOBMLDAXLRQ-DRZSPHRISA-N 2 2 248.395 2.564 20 0 BFADLP c1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000422788152 387688883 /nfs/dbraw/zinc/68/88/83/387688883.db2.gz SEAHPIKMMQHIOQ-HOTGVXAUSA-N 2 2 244.382 2.869 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]CC3CC=CC3)n2c1 ZINC000527746134 387689680 /nfs/dbraw/zinc/68/96/80/387689680.db2.gz VGZCZUFIHPQIAE-UHFFFAOYSA-N 2 2 241.338 2.699 20 0 BFADLP c1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000422788154 387690629 /nfs/dbraw/zinc/69/06/29/387690629.db2.gz SEAHPIKMMQHIOQ-JKSUJKDBSA-N 2 2 244.382 2.869 20 0 BFADLP CCc1cccc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC000188726567 387750621 /nfs/dbraw/zinc/75/06/21/387750621.db2.gz FKIKFJGNFICLBI-UHFFFAOYSA-N 2 2 246.398 2.775 20 0 BFADLP CC(C)CC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000367789852 387751464 /nfs/dbraw/zinc/75/14/64/387751464.db2.gz DDEKEHMXFNVJOT-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000367789852 387751473 /nfs/dbraw/zinc/75/14/73/387751473.db2.gz DDEKEHMXFNVJOT-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@H](F)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000440794021 387701172 /nfs/dbraw/zinc/70/11/72/387701172.db2.gz YFJKTHLMQONVBL-RWMBFGLXSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000440794021 387701174 /nfs/dbraw/zinc/70/11/74/387701174.db2.gz YFJKTHLMQONVBL-RWMBFGLXSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000440794021 387701180 /nfs/dbraw/zinc/70/11/80/387701180.db2.gz YFJKTHLMQONVBL-RWMBFGLXSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000440794021 387701184 /nfs/dbraw/zinc/70/11/84/387701184.db2.gz YFJKTHLMQONVBL-RWMBFGLXSA-N 2 2 230.371 2.539 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCCC1 ZINC000367437659 387709311 /nfs/dbraw/zinc/70/93/11/387709311.db2.gz JIMRLEONAGKQAX-LBPRGKRZSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCC[C@H](C)C1 ZINC000452061742 387718981 /nfs/dbraw/zinc/71/89/81/387718981.db2.gz PYOQQTDDHKPMTM-MELADBBJSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C[N@@H+]1C1CC1 ZINC000128150669 387740217 /nfs/dbraw/zinc/74/02/17/387740217.db2.gz IYMOATCHIFSJTK-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)C[N@H+]1C1CC1 ZINC000128150669 387740220 /nfs/dbraw/zinc/74/02/20/387740220.db2.gz IYMOATCHIFSJTK-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643527132 387762461 /nfs/dbraw/zinc/76/24/61/387762461.db2.gz DEYOFSOLYYEVHB-ONGXEEELSA-N 2 2 232.327 2.739 20 0 BFADLP CC(C)CC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccoc1 ZINC000643527697 387767860 /nfs/dbraw/zinc/76/78/60/387767860.db2.gz REFSVVZHLDNYOS-YPMHNXCESA-N 2 2 224.348 2.694 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000643528023 387774396 /nfs/dbraw/zinc/77/43/96/387774396.db2.gz XJQXWHNVDFHJSX-ZANVPECISA-N 2 2 242.313 2.599 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944863 387780714 /nfs/dbraw/zinc/78/07/14/387780714.db2.gz DEPYIQHLHSTKKE-OCCSQVGLSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527944863 387780718 /nfs/dbraw/zinc/78/07/18/387780718.db2.gz DEPYIQHLHSTKKE-OCCSQVGLSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccoc1 ZINC000643530127 387785433 /nfs/dbraw/zinc/78/54/33/387785433.db2.gz NZOFDYMVGVVSEM-YPMHNXCESA-N 2 2 236.359 2.708 20 0 BFADLP C[C@@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422979969 387792438 /nfs/dbraw/zinc/79/24/38/387792438.db2.gz OCTTYCOXGJHZLL-BNGMYCFISA-N 2 2 244.382 2.820 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000151036718 387797274 /nfs/dbraw/zinc/79/72/74/387797274.db2.gz SGEBOFSYFSYQLP-MRXNPFEDSA-N 2 2 246.398 2.897 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000151036718 387797278 /nfs/dbraw/zinc/79/72/78/387797278.db2.gz SGEBOFSYFSYQLP-MRXNPFEDSA-N 2 2 246.398 2.897 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000564045721 387806639 /nfs/dbraw/zinc/80/66/39/387806639.db2.gz FSIJMVYIBNQVAW-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000564045721 387806643 /nfs/dbraw/zinc/80/66/43/387806643.db2.gz FSIJMVYIBNQVAW-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000564045720 387807801 /nfs/dbraw/zinc/80/78/01/387807801.db2.gz FSIJMVYIBNQVAW-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000564045720 387807806 /nfs/dbraw/zinc/80/78/06/387807806.db2.gz FSIJMVYIBNQVAW-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422951572 387807968 /nfs/dbraw/zinc/80/79/68/387807968.db2.gz ZBTRBRIAFULPIU-QJPTWQEYSA-N 2 2 238.400 2.929 20 0 BFADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528001225 387808186 /nfs/dbraw/zinc/80/81/86/387808186.db2.gz LZNYMWXRZSIMSJ-XZDPQHSOSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528001225 387808190 /nfs/dbraw/zinc/80/81/90/387808190.db2.gz LZNYMWXRZSIMSJ-XZDPQHSOSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CCC1 ZINC000528007836 387820255 /nfs/dbraw/zinc/82/02/55/387820255.db2.gz CPKURXOGUVOPGD-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CCC1 ZINC000528007836 387820257 /nfs/dbraw/zinc/82/02/57/387820257.db2.gz CPKURXOGUVOPGD-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528011521 387821653 /nfs/dbraw/zinc/82/16/53/387821653.db2.gz LXNYDOMPJORMEK-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528011521 387821657 /nfs/dbraw/zinc/82/16/57/387821657.db2.gz LXNYDOMPJORMEK-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]Cc1coc2ccccc12)[C@H]1CCC[NH2+]1 ZINC000422974719 387823297 /nfs/dbraw/zinc/82/32/97/387823297.db2.gz ABQMDNSFJQTHBO-BXUZGUMPSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1cccc(O)c1 ZINC000442865575 387853328 /nfs/dbraw/zinc/85/33/28/387853328.db2.gz UPIRPRRODJWAOL-YWPYICTPSA-N 2 2 248.370 2.526 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1cccc(O)c1 ZINC000442865575 387853330 /nfs/dbraw/zinc/85/33/30/387853330.db2.gz UPIRPRRODJWAOL-YWPYICTPSA-N 2 2 248.370 2.526 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423047798 387858455 /nfs/dbraw/zinc/85/84/55/387858455.db2.gz HCESSVGXKUYMAI-BBRMVZONSA-N 2 2 246.398 2.898 20 0 BFADLP CC[N@H+](C[C@H](C)[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000442654147 387813979 /nfs/dbraw/zinc/81/39/79/387813979.db2.gz XGFMKQYKMAEMQE-QWRGUYRKSA-N 2 2 224.323 2.556 20 0 BFADLP CC[N@@H+](C[C@H](C)[NH3+])[C@@H](C)c1ccc(F)cc1 ZINC000442654147 387813984 /nfs/dbraw/zinc/81/39/84/387813984.db2.gz XGFMKQYKMAEMQE-QWRGUYRKSA-N 2 2 224.323 2.556 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528006805 387819354 /nfs/dbraw/zinc/81/93/54/387819354.db2.gz ABDIINVSBXNQNW-TZMCWYRMSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528006805 387819357 /nfs/dbraw/zinc/81/93/57/387819357.db2.gz ABDIINVSBXNQNW-TZMCWYRMSA-N 2 2 224.392 2.637 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@@H]2C[C@H]2C2CCC2)[nH+]1 ZINC000424209809 387930112 /nfs/dbraw/zinc/93/01/12/387930112.db2.gz ZRQDIWPOEATPDW-UONOGXRCSA-N 2 2 241.338 2.613 20 0 BFADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423145257 387921877 /nfs/dbraw/zinc/92/18/77/387921877.db2.gz JWCXMHZLXXZCNI-CABCVRRESA-N 2 2 248.345 2.673 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000444753074 387922519 /nfs/dbraw/zinc/92/25/19/387922519.db2.gz XKWNSGHPYVDMGD-CQSZACIVSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444753074 387922529 /nfs/dbraw/zinc/92/25/29/387922529.db2.gz XKWNSGHPYVDMGD-CQSZACIVSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)o1 ZINC000423177082 387963695 /nfs/dbraw/zinc/96/36/95/387963695.db2.gz ABRUDXOYYNJVDP-DZGCQCFKSA-N 2 2 248.370 2.771 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000045094416 387964815 /nfs/dbraw/zinc/96/48/15/387964815.db2.gz GKAZWSBGHDZTMN-ZDUSSCGKSA-N 2 2 247.342 2.916 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000423179908 387966590 /nfs/dbraw/zinc/96/65/90/387966590.db2.gz DMQIKPIGIHQXHV-GDBMZVCRSA-N 2 2 244.382 2.714 20 0 BFADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423182177 387967796 /nfs/dbraw/zinc/96/77/96/387967796.db2.gz GMWQWTFHGHNUBX-ZBFHGGJFSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423183258 387968440 /nfs/dbraw/zinc/96/84/40/387968440.db2.gz HOBIBJWTJPEVFM-UONOGXRCSA-N 2 2 236.334 2.618 20 0 BFADLP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423182175 387968639 /nfs/dbraw/zinc/96/86/39/387968639.db2.gz GMWQWTFHGHNUBX-GOEBONIOSA-N 2 2 244.382 2.796 20 0 BFADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423189554 387973518 /nfs/dbraw/zinc/97/35/18/387973518.db2.gz MVRFGIDFNNGVJB-UKRRQHHQSA-N 2 2 248.345 2.545 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453064008 387976951 /nfs/dbraw/zinc/97/69/51/387976951.db2.gz FQNZPZRYRNRJGI-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453064008 387976953 /nfs/dbraw/zinc/97/69/53/387976953.db2.gz FQNZPZRYRNRJGI-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423192157 387977475 /nfs/dbraw/zinc/97/74/75/387977475.db2.gz PQVKCHGZPVUTDK-IOASZLSFSA-N 2 2 244.382 2.967 20 0 BFADLP CCc1ccc([C@@H](CC)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423210202 387995079 /nfs/dbraw/zinc/99/50/79/387995079.db2.gz WGXBDOULMQKHCD-HUUCEWRRSA-N 2 2 232.371 2.652 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423197267 387982597 /nfs/dbraw/zinc/98/25/97/387982597.db2.gz YRAZZQKKRVPKDG-HUUCEWRRSA-N 2 2 232.371 2.788 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453098574 387984226 /nfs/dbraw/zinc/98/42/26/387984226.db2.gz VDNTWOOSHDUMEM-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453098574 387984230 /nfs/dbraw/zinc/98/42/30/387984230.db2.gz VDNTWOOSHDUMEM-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccccn1 ZINC000423198432 387984511 /nfs/dbraw/zinc/98/45/11/387984511.db2.gz FVPJUMKRVIJIHT-CYBMUJFWSA-N 2 2 247.386 2.784 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245806033 387984973 /nfs/dbraw/zinc/98/49/73/387984973.db2.gz BNHHTUWRFQCYJL-KBPBESRZSA-N 2 2 249.402 2.721 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245806033 387984976 /nfs/dbraw/zinc/98/49/76/387984976.db2.gz BNHHTUWRFQCYJL-KBPBESRZSA-N 2 2 249.402 2.721 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])o1 ZINC000424374879 387998979 /nfs/dbraw/zinc/99/89/79/387998979.db2.gz LYYQOUJMBUTWDZ-IJLUTSLNSA-N 2 2 222.332 2.509 20 0 BFADLP C[NH2+]CC[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000423222968 388003906 /nfs/dbraw/zinc/00/39/06/388003906.db2.gz DJOCDBOWIGUDQW-OAHLLOKOSA-N 2 2 232.371 2.727 20 0 BFADLP CCCC[C@H]([NH2+]CC[NH2+]C)c1ccccc1 ZINC000423223079 388004374 /nfs/dbraw/zinc/00/43/74/388004374.db2.gz DSKGPSUYAVMQCE-AWEZNQCLSA-N 2 2 220.360 2.727 20 0 BFADLP C[NH2+]CC[NH2+][C@H]1CCCc2ccc(C(C)C)cc21 ZINC000423223622 388005409 /nfs/dbraw/zinc/00/54/09/388005409.db2.gz GYJSENYWOCGVQP-INIZCTEOSA-N 2 2 246.398 2.996 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000423223361 388005697 /nfs/dbraw/zinc/00/56/97/388005697.db2.gz GDXQFNHYHMIVLK-LBPRGKRZSA-N 2 2 228.339 2.710 20 0 BFADLP CCCCc1ccc([C@@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423224876 388007049 /nfs/dbraw/zinc/00/70/49/388007049.db2.gz KGJPXQBANCMFDV-CYBMUJFWSA-N 2 2 234.387 2.899 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081623897 388010635 /nfs/dbraw/zinc/01/06/35/388010635.db2.gz ZYQPHFYTNWRBNK-HUUCEWRRSA-N 2 2 238.419 2.887 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000423227405 388012033 /nfs/dbraw/zinc/01/20/33/388012033.db2.gz VOOIWCVHWGCTMV-LBPRGKRZSA-N 2 2 234.387 2.854 20 0 BFADLP C[N@H+](CC(C)(C)[NH3+])C1CCC(C)(C)CC1 ZINC000087287480 135121672 /nfs/dbraw/zinc/12/16/72/135121672.db2.gz JKMWHUZLYUFQRU-UHFFFAOYSA-N 2 2 212.381 2.624 20 0 BFADLP C[N@@H+](CC(C)(C)[NH3+])C1CCC(C)(C)CC1 ZINC000087287480 135121673 /nfs/dbraw/zinc/12/16/73/135121673.db2.gz JKMWHUZLYUFQRU-UHFFFAOYSA-N 2 2 212.381 2.624 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229271 388015458 /nfs/dbraw/zinc/01/54/58/388015458.db2.gz AONLQLNVWORAOU-UMVBOHGHSA-N 2 2 244.382 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCC2 ZINC000423235534 388018881 /nfs/dbraw/zinc/01/88/81/388018881.db2.gz NGZQAOXVNDPJNH-WBMJQRKESA-N 2 2 244.382 2.578 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)[C@H](C)c1ccc(Cl)cc1 ZINC000423235019 388019274 /nfs/dbraw/zinc/01/92/74/388019274.db2.gz AHSFCIYTAJENOX-QWRGUYRKSA-N 2 2 240.778 2.641 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000453235875 388019664 /nfs/dbraw/zinc/01/96/64/388019664.db2.gz AUGNWTUZRXSGLK-STQMWFEESA-N 2 2 247.386 2.825 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000453235875 388019667 /nfs/dbraw/zinc/01/96/67/388019667.db2.gz AUGNWTUZRXSGLK-STQMWFEESA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000423237565 388020293 /nfs/dbraw/zinc/02/02/93/388020293.db2.gz PVYRQGIVBHYGMC-BXUZGUMPSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423236919 388021477 /nfs/dbraw/zinc/02/14/77/388021477.db2.gz PEYYUFHBYXBPEC-LALPHHSUSA-N 2 2 230.355 2.577 20 0 BFADLP CC(C)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000423237911 388022568 /nfs/dbraw/zinc/02/25/68/388022568.db2.gz QKYFMJJTGAOQLA-DZGCQCFKSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@H](Cc1ccoc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423239903 388022844 /nfs/dbraw/zinc/02/28/44/388022844.db2.gz BVCHIWPTESLSTA-IUODEOHRSA-N 2 2 244.338 2.500 20 0 BFADLP c1csc([C@H]([NH2+]Cc2c[nH+]c[nH]2)C2CC2)c1 ZINC000082394046 388032890 /nfs/dbraw/zinc/03/28/90/388032890.db2.gz GFSQOKFNPOELKN-GFCCVEGCSA-N 2 2 233.340 2.712 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](c1ccc(C)cc1)C1CCC1 ZINC000423251294 388033195 /nfs/dbraw/zinc/03/31/95/388033195.db2.gz VTNHWKMBGJSHCN-OAHLLOKOSA-N 2 2 232.371 2.645 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000423250617 388033783 /nfs/dbraw/zinc/03/37/83/388033783.db2.gz UUKGBTAOCRFWKC-JTQLQIEISA-N 2 2 226.751 2.600 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000423253481 388035910 /nfs/dbraw/zinc/03/59/10/388035910.db2.gz ZEFDHIQIBCCELM-CQSZACIVSA-N 2 2 220.360 2.645 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C[C@@H]1C ZINC000082836001 388041355 /nfs/dbraw/zinc/04/13/55/388041355.db2.gz FNBVURIXLJHKGF-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP CC1(C)C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423243618 388026401 /nfs/dbraw/zinc/02/64/01/388026401.db2.gz WOTZTUMPNMACMH-DOMZBBRYSA-N 2 2 244.382 2.751 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000246277707 388027161 /nfs/dbraw/zinc/02/71/61/388027161.db2.gz SOMROOGJUZXOTO-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000246277707 388027165 /nfs/dbraw/zinc/02/71/65/388027165.db2.gz SOMROOGJUZXOTO-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000423245017 388028829 /nfs/dbraw/zinc/02/88/29/388028829.db2.gz XZQJNAZWTLBXPE-MLGOLLRUSA-N 2 2 244.382 2.967 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000423245872 388028903 /nfs/dbraw/zinc/02/89/03/388028903.db2.gz MOTOLQVEISOERD-CYBMUJFWSA-N 2 2 240.778 2.990 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C(C)C ZINC000423248681 388031312 /nfs/dbraw/zinc/03/13/12/388031312.db2.gz RYCPKPRSNBLUON-UONOGXRCSA-N 2 2 220.360 2.711 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000423249512 388031756 /nfs/dbraw/zinc/03/17/56/388031756.db2.gz SKQLZFJVFKFOED-JTQLQIEISA-N 2 2 226.389 2.571 20 0 BFADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H]1CCCc2occc21 ZINC000423272535 388052082 /nfs/dbraw/zinc/05/20/82/388052082.db2.gz ZBYBCUDGDDJOBS-YPMHNXCESA-N 2 2 236.359 2.620 20 0 BFADLP CC[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1F ZINC000423274061 388052730 /nfs/dbraw/zinc/05/27/30/388052730.db2.gz JQZZBNMHAGVZIH-UONOGXRCSA-N 2 2 236.334 2.604 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423275968 388057366 /nfs/dbraw/zinc/05/73/66/388057366.db2.gz NRWPTTHOLLZBKB-ZANVPECISA-N 2 2 242.313 2.599 20 0 BFADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1csc(Cl)c1 ZINC000423281252 388064318 /nfs/dbraw/zinc/06/43/18/388064318.db2.gz BAUVYNPTBNANLQ-SSDOTTSWSA-N 2 2 232.780 2.789 20 0 BFADLP CC1(C)Cc2occc2[C@H]([NH2+][C@H](C[NH3+])C2CC2)C1 ZINC000423283009 388064816 /nfs/dbraw/zinc/06/48/16/388064816.db2.gz VPRMDOMXMQXYDQ-CHWSQXEVSA-N 2 2 248.370 2.620 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)o1 ZINC000423283699 388067423 /nfs/dbraw/zinc/06/74/23/388067423.db2.gz XILGLACBLRCHMH-GXFFZTMASA-N 2 2 224.348 2.530 20 0 BFADLP CC[C@@H](F)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000440703863 388071318 /nfs/dbraw/zinc/07/13/18/388071318.db2.gz JQSZSSWMVGTWBH-CYBMUJFWSA-N 2 2 242.382 2.685 20 0 BFADLP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1cc(F)ccc1F ZINC000423286477 388071580 /nfs/dbraw/zinc/07/15/80/388071580.db2.gz HPCJISXNMZTIRL-LBPRGKRZSA-N 2 2 242.313 2.743 20 0 BFADLP CC[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(F)cc1F ZINC000423287766 388072763 /nfs/dbraw/zinc/07/27/63/388072763.db2.gz OKYYZKIHQKTCMX-LBPRGKRZSA-N 2 2 242.313 2.743 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000423296698 388078381 /nfs/dbraw/zinc/07/83/81/388078381.db2.gz HKGYXIAKJOOYLY-QWHCGFSZSA-N 2 2 235.375 2.558 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cncc(C)c1 ZINC000423298022 388080148 /nfs/dbraw/zinc/08/01/48/388080148.db2.gz MVGUDJSUKRELAP-GXTWGEPZSA-N 2 2 235.375 2.558 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000447604102 388082150 /nfs/dbraw/zinc/08/21/50/388082150.db2.gz YPJHTASQGZGSBI-CABCVRRESA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000447604102 388082153 /nfs/dbraw/zinc/08/21/53/388082153.db2.gz YPJHTASQGZGSBI-CABCVRRESA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449197210 388156318 /nfs/dbraw/zinc/15/63/18/388156318.db2.gz VBKSIVKVXQABSS-BZPMIXESSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449197210 388156319 /nfs/dbraw/zinc/15/63/19/388156319.db2.gz VBKSIVKVXQABSS-BZPMIXESSA-N 2 2 238.419 2.883 20 0 BFADLP c1cc2cccc(C[NH2+]CC[NH+]3CCCC3)c2o1 ZINC000449222213 388158940 /nfs/dbraw/zinc/15/89/40/388158940.db2.gz VUEBSWCBBXBUBR-UHFFFAOYSA-N 2 2 244.338 2.618 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000449233377 388159861 /nfs/dbraw/zinc/15/98/61/388159861.db2.gz LHHCNYDIYLKRKW-AGIUHOORSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000449233377 388159863 /nfs/dbraw/zinc/15/98/63/388159863.db2.gz LHHCNYDIYLKRKW-AGIUHOORSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C1 ZINC000449268907 388164704 /nfs/dbraw/zinc/16/47/04/388164704.db2.gz KGZKXVFDMXGAQQ-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)CC[C@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C1 ZINC000449268906 388164922 /nfs/dbraw/zinc/16/49/22/388164922.db2.gz KGZKXVFDMXGAQQ-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000449335980 388174716 /nfs/dbraw/zinc/17/47/16/388174716.db2.gz MICOUZUCJMDRPQ-STQMWFEESA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000449335980 388174718 /nfs/dbraw/zinc/17/47/18/388174718.db2.gz MICOUZUCJMDRPQ-STQMWFEESA-N 2 2 247.386 2.825 20 0 BFADLP CC(C)C1CC([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000488472675 388182535 /nfs/dbraw/zinc/18/25/35/388182535.db2.gz XJRZSRUYAVQGGV-WLYUNCDWSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)C1CC([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000488472675 388182538 /nfs/dbraw/zinc/18/25/38/388182538.db2.gz XJRZSRUYAVQGGV-WLYUNCDWSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000449377146 388187049 /nfs/dbraw/zinc/18/70/49/388187049.db2.gz RHPCPDZPZLRMIJ-SWLSCSKDSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC000449377146 388187050 /nfs/dbraw/zinc/18/70/50/388187050.db2.gz RHPCPDZPZLRMIJ-SWLSCSKDSA-N 2 2 234.387 2.559 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000646139081 388153656 /nfs/dbraw/zinc/15/36/56/388153656.db2.gz SCXLCRUFBHSJRY-GJZGRUSLSA-N 2 2 234.387 2.559 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000646139081 388153658 /nfs/dbraw/zinc/15/36/58/388153658.db2.gz SCXLCRUFBHSJRY-GJZGRUSLSA-N 2 2 234.387 2.559 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000449558695 388228340 /nfs/dbraw/zinc/22/83/40/388228340.db2.gz ZJHUSMHPRQVXBE-FRRDWIJNSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@H](CCc1ccccc1)C[NH2+]C[C@H](C)[NH+](C)C ZINC000449558663 388231540 /nfs/dbraw/zinc/23/15/40/388231540.db2.gz YXDWLTRDUVOFOT-CABCVRRESA-N 2 2 248.414 2.795 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000163528014 388364289 /nfs/dbraw/zinc/36/42/89/388364289.db2.gz SSANLGGGKUVFKM-AWEZNQCLSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000163528014 388364291 /nfs/dbraw/zinc/36/42/91/388364291.db2.gz SSANLGGGKUVFKM-AWEZNQCLSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000235516137 388371047 /nfs/dbraw/zinc/37/10/47/388371047.db2.gz BJGCYISVCKHJDH-DTWKUNHWSA-N 2 2 244.791 2.804 20 0 BFADLP CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1CCC1 ZINC000322605837 388440677 /nfs/dbraw/zinc/44/06/77/388440677.db2.gz YXBIRFYOAHVSSH-AWEZNQCLSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1CCC1 ZINC000322605837 388440680 /nfs/dbraw/zinc/44/06/80/388440680.db2.gz YXBIRFYOAHVSSH-AWEZNQCLSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+](CC)C1CC1)C1CCC1 ZINC000322689033 388443835 /nfs/dbraw/zinc/44/38/35/388443835.db2.gz LQCMTJQGHDPOIV-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+](CC)C1CC1)C1CCC1 ZINC000322689033 388443837 /nfs/dbraw/zinc/44/38/37/388443837.db2.gz LQCMTJQGHDPOIV-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)C1 ZINC000308612984 388445298 /nfs/dbraw/zinc/44/52/98/388445298.db2.gz HYUAVEMVPCCKPC-JSGCOSHPSA-N 2 2 238.419 2.909 20 0 BFADLP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCC1 ZINC000322847462 388448805 /nfs/dbraw/zinc/44/88/05/388448805.db2.gz OBEHGTPSSFEYRN-CQSZACIVSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000336657332 388459383 /nfs/dbraw/zinc/45/93/83/388459383.db2.gz IGEULPPLECOKEK-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000336657332 388459384 /nfs/dbraw/zinc/45/93/84/388459384.db2.gz IGEULPPLECOKEK-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+][C@@H](C)C[NH+](C)C ZINC000309848846 388466323 /nfs/dbraw/zinc/46/63/23/388466323.db2.gz HZMRSMZFQPYOAI-HZSPNIEDSA-N 2 2 224.392 2.519 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)c2ccccc21 ZINC000336792671 388470989 /nfs/dbraw/zinc/47/09/89/388470989.db2.gz SYRZPGJQXCFZHX-CJNGLKHVSA-N 2 2 244.382 2.920 20 0 BFADLP c1[nH]c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000245502716 388420864 /nfs/dbraw/zinc/42/08/64/388420864.db2.gz GQQKUUNZIJJZGJ-WCQYABFASA-N 2 2 219.332 2.564 20 0 BFADLP c1[nH]c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000245502716 388420865 /nfs/dbraw/zinc/42/08/65/388420865.db2.gz GQQKUUNZIJJZGJ-WCQYABFASA-N 2 2 219.332 2.564 20 0 BFADLP CCC1CCC([NH2+]CC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000525288234 388424658 /nfs/dbraw/zinc/42/46/58/388424658.db2.gz LSAQTTIXDCKQQQ-NFOMZHRRSA-N 2 2 238.419 2.887 20 0 BFADLP CCC1CCC([NH2+]CC[N@H+]2CC[C@H](C)C2)CC1 ZINC000525288234 388424660 /nfs/dbraw/zinc/42/46/60/388424660.db2.gz LSAQTTIXDCKQQQ-NFOMZHRRSA-N 2 2 238.419 2.887 20 0 BFADLP C/C(Cl)=C\C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000528516434 388539990 /nfs/dbraw/zinc/53/99/90/388539990.db2.gz JRQZDEJKZPMWOG-YKAQBRKTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000528516434 388539993 /nfs/dbraw/zinc/53/99/93/388539993.db2.gz JRQZDEJKZPMWOG-YKAQBRKTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000528516434 388539996 /nfs/dbraw/zinc/53/99/96/388539996.db2.gz JRQZDEJKZPMWOG-YKAQBRKTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000528516434 388540000 /nfs/dbraw/zinc/54/00/00/388540000.db2.gz JRQZDEJKZPMWOG-YKAQBRKTSA-N 2 2 242.794 2.547 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]CC1(C)CC1 ZINC000517223345 388543581 /nfs/dbraw/zinc/54/35/81/388543581.db2.gz QDRVQDAZUKRTBY-CQSZACIVSA-N 2 2 232.371 2.639 20 0 BFADLP CCC[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000547833253 388490078 /nfs/dbraw/zinc/49/00/78/388490078.db2.gz CJYVPJBOMIEGBE-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP C[NH+](C)C1(C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000397777330 388497844 /nfs/dbraw/zinc/49/78/44/388497844.db2.gz BTRSARBBMNWKHJ-UHFFFAOYSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)[C@@H]1CC1(C)C ZINC000397780999 388499066 /nfs/dbraw/zinc/49/90/66/388499066.db2.gz OKLWNTIBTZMUHH-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CCC1 ZINC000397797212 388500420 /nfs/dbraw/zinc/50/04/20/388500420.db2.gz BOUKUKLQRAHYML-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@@H]1CC1(C)C ZINC000397806098 388501140 /nfs/dbraw/zinc/50/11/40/388501140.db2.gz HDYVGGSLSGFUDO-QWHCGFSZSA-N 2 2 238.419 2.885 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CC1 ZINC000397811283 388502184 /nfs/dbraw/zinc/50/21/84/388502184.db2.gz PDGMHIVTHXMAAC-ZIAGYGMSSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1CC1(C)C)[NH+](C)C ZINC000397821838 388502528 /nfs/dbraw/zinc/50/25/28/388502528.db2.gz KYKDTLCDQYWHSX-MGPQQGTHSA-N 2 2 240.435 2.987 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000397822031 388502666 /nfs/dbraw/zinc/50/26/66/388502666.db2.gz LAPGLXMOHORTLZ-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000397850212 388505342 /nfs/dbraw/zinc/50/53/42/388505342.db2.gz ZQZBQPYQECQSTN-AVGNSLFASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1C[C@@H](C)[NH+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000548097446 388511183 /nfs/dbraw/zinc/51/11/83/388511183.db2.gz STPAPBWZPDZDES-CHWSQXEVSA-N 2 2 241.338 2.855 20 0 BFADLP C/C(Cl)=C/C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000528479446 388533036 /nfs/dbraw/zinc/53/30/36/388533036.db2.gz WSCNFLQCMNDODX-DSDFTUOUSA-N 2 2 230.783 2.545 20 0 BFADLP C/C(Cl)=C/C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000528479446 388533039 /nfs/dbraw/zinc/53/30/39/388533039.db2.gz WSCNFLQCMNDODX-DSDFTUOUSA-N 2 2 230.783 2.545 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000517042082 388535802 /nfs/dbraw/zinc/53/58/02/388535802.db2.gz LDDVABXNVGYPAK-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000517042082 388535805 /nfs/dbraw/zinc/53/58/05/388535805.db2.gz LDDVABXNVGYPAK-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCCC12CCCC2 ZINC000328293522 388594087 /nfs/dbraw/zinc/59/40/87/388594087.db2.gz SDGUVPYJBDMMGU-AWEZNQCLSA-N 2 2 236.403 2.785 20 0 BFADLP Cc1[nH+]ccn1CCCCn1cc[nH+]c1C1CC1 ZINC000530130432 388615358 /nfs/dbraw/zinc/61/53/58/388615358.db2.gz VUTCYDOYAHRKJZ-UHFFFAOYSA-N 2 2 244.342 2.746 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CC1(C)C ZINC000551233321 388623447 /nfs/dbraw/zinc/62/34/47/388623447.db2.gz RFTSRWXVCCUWJH-YPMHNXCESA-N 2 2 247.386 2.744 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(F)c1 ZINC000530218292 388632205 /nfs/dbraw/zinc/63/22/05/388632205.db2.gz IOTSQDPBDZDBPJ-SMDDNHRTSA-N 2 2 248.345 2.761 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000246858574 388654150 /nfs/dbraw/zinc/65/41/50/388654150.db2.gz CVYHJPOTTNNGMZ-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000246858574 388654153 /nfs/dbraw/zinc/65/41/53/388654153.db2.gz CVYHJPOTTNNGMZ-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)C(C)(C)C ZINC000124003023 388659216 /nfs/dbraw/zinc/65/92/16/388659216.db2.gz XHVUDNKZSOGLLX-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[C@H]([NH2+]CC[NH+]1CCCCCC1)C1CC1 ZINC000124005917 388659326 /nfs/dbraw/zinc/65/93/26/388659326.db2.gz KCJQYIOQSBABES-HNNXBMFYSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248995481 388703000 /nfs/dbraw/zinc/70/30/00/388703000.db2.gz LXVAQSKELUHXMI-MBNYWOFBSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248995481 388703001 /nfs/dbraw/zinc/70/30/01/388703001.db2.gz LXVAQSKELUHXMI-MBNYWOFBSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000249039157 388706006 /nfs/dbraw/zinc/70/60/06/388706006.db2.gz UQQAZYUQFFMEAJ-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000249039157 388706007 /nfs/dbraw/zinc/70/60/07/388706007.db2.gz UQQAZYUQFFMEAJ-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249398701 388720527 /nfs/dbraw/zinc/72/05/27/388720527.db2.gz UJCLYPPEAVRXNM-KGLIPLIRSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000249398701 388720530 /nfs/dbraw/zinc/72/05/30/388720530.db2.gz UJCLYPPEAVRXNM-KGLIPLIRSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000540170055 388798814 /nfs/dbraw/zinc/79/88/14/388798814.db2.gz YMAOJPMDKDAMEQ-IOASZLSFSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000540170055 388798815 /nfs/dbraw/zinc/79/88/15/388798815.db2.gz YMAOJPMDKDAMEQ-IOASZLSFSA-N 2 2 244.382 2.820 20 0 BFADLP CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000540481109 388808798 /nfs/dbraw/zinc/80/87/98/388808798.db2.gz KMBZFOLRYNDDNV-OLZOCXBDSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000540481109 388808801 /nfs/dbraw/zinc/80/88/01/388808801.db2.gz KMBZFOLRYNDDNV-OLZOCXBDSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000252709456 388771938 /nfs/dbraw/zinc/77/19/38/388771938.db2.gz CXHMZXGOFLUAIZ-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000252709456 388771939 /nfs/dbraw/zinc/77/19/39/388771939.db2.gz CXHMZXGOFLUAIZ-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000252709659 388773349 /nfs/dbraw/zinc/77/33/49/388773349.db2.gz DLASSNHLXXQORP-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000252709659 388773352 /nfs/dbraw/zinc/77/33/52/388773352.db2.gz DLASSNHLXXQORP-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@@H+]1C1CC1 ZINC000252713082 388773764 /nfs/dbraw/zinc/77/37/64/388773764.db2.gz OGQIHPYKCBWFEQ-OSFYFWSMSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000252713082 388773768 /nfs/dbraw/zinc/77/37/68/388773768.db2.gz OGQIHPYKCBWFEQ-OSFYFWSMSA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)C1CC([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000232536939 388851029 /nfs/dbraw/zinc/85/10/29/388851029.db2.gz QZPRHXCDRFYKLR-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@H]1CCC[C@H]1C ZINC000565551005 388954336 /nfs/dbraw/zinc/95/43/36/388954336.db2.gz ULDRXZBEPJEZBD-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CC1(C)C ZINC000487277318 533384736 /nfs/dbraw/zinc/38/47/36/533384736.db2.gz MMYGALGHHXDOOA-OLZOCXBDSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494413887 533600359 /nfs/dbraw/zinc/60/03/59/533600359.db2.gz UWGVPMGOKNPFRP-RDBSUJKOSA-N 2 2 247.386 2.614 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)[C@@H]1C ZINC000494995420 533647723 /nfs/dbraw/zinc/64/77/23/533647723.db2.gz JRDILUKBYMQVSG-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)[C@@H]1C ZINC000494995420 533647724 /nfs/dbraw/zinc/64/77/24/533647724.db2.gz JRDILUKBYMQVSG-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP c1ccc(N2CCC([NH+]3CCCCC3)CC2)[nH+]c1 ZINC000275730302 132204991 /nfs/dbraw/zinc/20/49/91/132204991.db2.gz UIFAFFZXUIGCQT-UHFFFAOYSA-N 2 2 245.370 2.536 20 0 BFADLP c1ccc2c(c1)cccc2C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000215993731 133948582 /nfs/dbraw/zinc/94/85/82/133948582.db2.gz DDVRDXMXQZMOLS-OAHLLOKOSA-N 2 2 240.350 2.681 20 0 BFADLP C[N@@H+]1CC[C@@H]([NH2+]CCC2CC2)[C@H]1c1ccccc1 ZINC000352093129 134061483 /nfs/dbraw/zinc/06/14/83/134061483.db2.gz MTZWNKNOEUEHSI-HZPDHXFCSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CC[C@@H]([NH2+]CCC2CC2)[C@H]1c1ccccc1 ZINC000352093129 134061484 /nfs/dbraw/zinc/06/14/84/134061484.db2.gz MTZWNKNOEUEHSI-HZPDHXFCSA-N 2 2 244.382 2.822 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336102732 134083848 /nfs/dbraw/zinc/08/38/48/134083848.db2.gz MTWJLSUIISGXJX-STQMWFEESA-N 2 2 247.386 2.756 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCc1ccccc1 ZINC000168595691 134227921 /nfs/dbraw/zinc/22/79/21/134227921.db2.gz FGRBSDWKJXZPON-UONOGXRCSA-N 2 2 234.387 2.547 20 0 BFADLP c1[nH]c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000179680228 134323805 /nfs/dbraw/zinc/32/38/05/134323805.db2.gz GQQKUUNZIJJZGJ-YPMHNXCESA-N 2 2 219.332 2.564 20 0 BFADLP c1[nH]c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000179680228 134323806 /nfs/dbraw/zinc/32/38/06/134323806.db2.gz GQQKUUNZIJJZGJ-YPMHNXCESA-N 2 2 219.332 2.564 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@H]2C2CCCC2)c[nH+]1 ZINC000183165649 134349077 /nfs/dbraw/zinc/34/90/77/134349077.db2.gz LSSFLTOMZYATKW-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@H]2C2CCCC2)c[nH+]1 ZINC000183165649 134349078 /nfs/dbraw/zinc/34/90/78/134349078.db2.gz LSSFLTOMZYATKW-HNNXBMFYSA-N 2 2 247.386 2.928 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000226320420 134360333 /nfs/dbraw/zinc/36/03/33/134360333.db2.gz JXIMPGZOKYHAGJ-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000226320420 134360334 /nfs/dbraw/zinc/36/03/34/134360334.db2.gz JXIMPGZOKYHAGJ-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000070761914 135011655 /nfs/dbraw/zinc/01/16/55/135011655.db2.gz NMQVLGDXEGDCSL-ZIAGYGMSSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000070762170 135012821 /nfs/dbraw/zinc/01/28/21/135012821.db2.gz LUQOGRZGTRRCRA-KGLIPLIRSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)Cn1cc[nH+]c1 ZINC000248633111 135017235 /nfs/dbraw/zinc/01/72/35/135017235.db2.gz IWTMIVVJWFOZCL-LXTVHRRPSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)Cn1cc[nH+]c1 ZINC000248633109 135017605 /nfs/dbraw/zinc/01/76/05/135017605.db2.gz IWTMIVVJWFOZCL-KBUPBQIOSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000163640055 135025566 /nfs/dbraw/zinc/02/55/66/135025566.db2.gz PXDPVTLYHVLCBC-UPJWGTAASA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000163640055 135025568 /nfs/dbraw/zinc/02/55/68/135025568.db2.gz PXDPVTLYHVLCBC-UPJWGTAASA-N 2 2 236.403 2.780 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000249153002 135034784 /nfs/dbraw/zinc/03/47/84/135034784.db2.gz YAXGTYDVOOLWGZ-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC12CCCC2 ZINC000249153002 135034787 /nfs/dbraw/zinc/03/47/87/135034787.db2.gz YAXGTYDVOOLWGZ-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000251622715 135072487 /nfs/dbraw/zinc/07/24/87/135072487.db2.gz DLSXHOSYJUHNSC-RFQIPJPRSA-N 2 2 235.375 2.686 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000251686659 135075029 /nfs/dbraw/zinc/07/50/29/135075029.db2.gz HAWJIKLPSLVCBJ-IGQOVBAYSA-N 2 2 235.375 2.686 20 0 BFADLP C[C@H]1CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C[C@H](C)C1 ZINC000252121269 135083723 /nfs/dbraw/zinc/08/37/23/135083723.db2.gz KVWMESQCSZPNGK-UPJWGTAASA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C[C@H](C)C1 ZINC000252121269 135083724 /nfs/dbraw/zinc/08/37/24/135083724.db2.gz KVWMESQCSZPNGK-UPJWGTAASA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000252189629 135086545 /nfs/dbraw/zinc/08/65/45/135086545.db2.gz UTYKQRHYASFWHA-JHJVBQTASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000252202486 135086580 /nfs/dbraw/zinc/08/65/80/135086580.db2.gz UKEQBIOHEJZNQF-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000252202486 135086583 /nfs/dbraw/zinc/08/65/83/135086583.db2.gz UKEQBIOHEJZNQF-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000252935201 135117865 /nfs/dbraw/zinc/11/78/65/135117865.db2.gz WYURSYRPZSQRKH-WDNDVIMCSA-N 2 2 238.419 2.885 20 0 BFADLP [NH3+]CC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000262911696 135123504 /nfs/dbraw/zinc/12/35/04/135123504.db2.gz FTPYEXAUOPBLGQ-MRXNPFEDSA-N 2 2 240.350 2.935 20 0 BFADLP [NH3+]CC[N@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000262911696 135123505 /nfs/dbraw/zinc/12/35/05/135123505.db2.gz FTPYEXAUOPBLGQ-MRXNPFEDSA-N 2 2 240.350 2.935 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000258699987 135133564 /nfs/dbraw/zinc/13/35/64/135133564.db2.gz GSFGEEYIFCVQOK-MRVPVSSYSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000258699987 135133565 /nfs/dbraw/zinc/13/35/65/135133565.db2.gz GSFGEEYIFCVQOK-MRVPVSSYSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@H]1C[N@H+](Cc2sccc2Cl)CC[C@H]1[NH3+] ZINC000261538199 135175358 /nfs/dbraw/zinc/17/53/58/135175358.db2.gz XLJCEPJYLLCBQZ-WCBMZHEXSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@@H+](Cc2sccc2Cl)CC[C@H]1[NH3+] ZINC000261538199 135175359 /nfs/dbraw/zinc/17/53/59/135175359.db2.gz XLJCEPJYLLCBQZ-WCBMZHEXSA-N 2 2 244.791 2.571 20 0 BFADLP CC[N@H+](C[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000261540332 135179434 /nfs/dbraw/zinc/17/94/34/135179434.db2.gz GDCSQESLJIBQPA-KGLIPLIRSA-N 2 2 232.371 2.901 20 0 BFADLP CC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000261540332 135179436 /nfs/dbraw/zinc/17/94/36/135179436.db2.gz GDCSQESLJIBQPA-KGLIPLIRSA-N 2 2 232.371 2.901 20 0 BFADLP C[N@H+](Cc1ccsc1Cl)CC(C)(C)C[NH3+] ZINC000261549186 135187227 /nfs/dbraw/zinc/18/72/27/135187227.db2.gz OHXFDENNPAHQHH-UHFFFAOYSA-N 2 2 246.807 2.818 20 0 BFADLP C[N@@H+](Cc1ccsc1Cl)CC(C)(C)C[NH3+] ZINC000261549186 135187229 /nfs/dbraw/zinc/18/72/29/135187229.db2.gz OHXFDENNPAHQHH-UHFFFAOYSA-N 2 2 246.807 2.818 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261551185 135190417 /nfs/dbraw/zinc/19/04/17/135190417.db2.gz SVJXDOQFADSKFR-XJKSGUPXSA-N 2 2 246.398 2.664 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261551185 135190418 /nfs/dbraw/zinc/19/04/18/135190418.db2.gz SVJXDOQFADSKFR-XJKSGUPXSA-N 2 2 246.398 2.664 20 0 BFADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1csc2ccccc12 ZINC000261561065 135202208 /nfs/dbraw/zinc/20/22/08/135202208.db2.gz UZTJNKQWBMAIJM-GXFFZTMASA-N 2 2 246.379 2.823 20 0 BFADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1csc2ccccc12 ZINC000261561065 135202209 /nfs/dbraw/zinc/20/22/09/135202209.db2.gz UZTJNKQWBMAIJM-GXFFZTMASA-N 2 2 246.379 2.823 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC(C)(C)[NH+](C)C ZINC000342395864 135270720 /nfs/dbraw/zinc/27/07/20/135270720.db2.gz FJASDIYOTACBBA-UONOGXRCSA-N 2 2 238.419 2.909 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000342554330 135288217 /nfs/dbraw/zinc/28/82/17/135288217.db2.gz XVXSXINMHWZFNA-OAHLLOKOSA-N 2 2 247.386 2.846 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000342554330 135288218 /nfs/dbraw/zinc/28/82/18/135288218.db2.gz XVXSXINMHWZFNA-OAHLLOKOSA-N 2 2 247.386 2.846 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000342611757 135303110 /nfs/dbraw/zinc/30/31/10/135303110.db2.gz FWSUREHZYPWHBW-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000342611757 135303111 /nfs/dbraw/zinc/30/31/11/135303111.db2.gz FWSUREHZYPWHBW-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CC([NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000342692111 135305894 /nfs/dbraw/zinc/30/58/94/135305894.db2.gz XPVCDKCXFZDYJF-WLYUNCDWSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CC([NH2+]CCc2cn3ccccc3[nH+]2)C1 ZINC000342668668 135308863 /nfs/dbraw/zinc/30/88/63/135308863.db2.gz PGSLRPAIZNQXSN-UHFFFAOYSA-N 2 2 243.354 2.655 20 0 BFADLP Cc1cccc([C@H]2CCCCC[N@@H+]2CC[NH3+])c1 ZINC000262900122 135323596 /nfs/dbraw/zinc/32/35/96/135323596.db2.gz DMOOAAITMCIJRU-OAHLLOKOSA-N 2 2 232.371 2.871 20 0 BFADLP Cc1cccc([C@H]2CCCCC[N@H+]2CC[NH3+])c1 ZINC000262900122 135323598 /nfs/dbraw/zinc/32/35/98/135323598.db2.gz DMOOAAITMCIJRU-OAHLLOKOSA-N 2 2 232.371 2.871 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1 ZINC000342761458 135325252 /nfs/dbraw/zinc/32/52/52/135325252.db2.gz XHRYWIKPGKAFCD-YDHLFZDLSA-N 2 2 232.371 2.820 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1 ZINC000342761458 135325253 /nfs/dbraw/zinc/32/52/53/135325253.db2.gz XHRYWIKPGKAFCD-YDHLFZDLSA-N 2 2 232.371 2.820 20 0 BFADLP [NH3+]CC[N@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000262967525 135325303 /nfs/dbraw/zinc/32/53/03/135325303.db2.gz LKQLEEMWBXECMU-UHFFFAOYSA-N 2 2 240.350 2.763 20 0 BFADLP [NH3+]CC[N@@H+](Cc1ccc2ccccc2c1)C1CC1 ZINC000262967525 135325304 /nfs/dbraw/zinc/32/53/04/135325304.db2.gz LKQLEEMWBXECMU-UHFFFAOYSA-N 2 2 240.350 2.763 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@H](C)C1 ZINC000078466350 135394085 /nfs/dbraw/zinc/39/40/85/135394085.db2.gz VUNWNIAPNPSUSF-MGPQQGTHSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1csc(Cl)c1 ZINC000335182220 135964836 /nfs/dbraw/zinc/96/48/36/135964836.db2.gz SNGIUIXXAFARHY-WCBMZHEXSA-N 2 2 244.791 2.804 20 0 BFADLP CC[C@H]1CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000348070845 136033673 /nfs/dbraw/zinc/03/36/73/136033673.db2.gz IYCJHGCDQGPJMF-STQMWFEESA-N 2 2 233.359 2.662 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000348080163 136034283 /nfs/dbraw/zinc/03/42/83/136034283.db2.gz HIMFZWXZLUFWIW-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000348080163 136034284 /nfs/dbraw/zinc/03/42/84/136034284.db2.gz HIMFZWXZLUFWIW-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000348096180 136035878 /nfs/dbraw/zinc/03/58/78/136035878.db2.gz MDEXNHIVHSSBSV-MJBXVCDLSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000348096180 136035879 /nfs/dbraw/zinc/03/58/79/136035879.db2.gz MDEXNHIVHSSBSV-MJBXVCDLSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000348096174 136035919 /nfs/dbraw/zinc/03/59/19/136035919.db2.gz MDEXNHIVHSSBSV-BFHYXJOUSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000348096174 136035920 /nfs/dbraw/zinc/03/59/20/136035920.db2.gz MDEXNHIVHSSBSV-BFHYXJOUSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000348104201 136036837 /nfs/dbraw/zinc/03/68/37/136036837.db2.gz DHTQAKWMFXSVRT-IACUBPJLSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000348104201 136036838 /nfs/dbraw/zinc/03/68/38/136036838.db2.gz DHTQAKWMFXSVRT-IACUBPJLSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000348115193 136037957 /nfs/dbraw/zinc/03/79/57/136037957.db2.gz YYPHJQKCRJOBGO-QWHCGFSZSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000348300060 136063314 /nfs/dbraw/zinc/06/33/14/136063314.db2.gz IETJQDGGLCJWHH-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000348300060 136063315 /nfs/dbraw/zinc/06/33/15/136063315.db2.gz IETJQDGGLCJWHH-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000348302125 136064824 /nfs/dbraw/zinc/06/48/24/136064824.db2.gz LUWCCZPJMSFBLE-MCIONIFRSA-N 2 2 234.387 2.718 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000348317412 136068647 /nfs/dbraw/zinc/06/86/47/136068647.db2.gz XXDFBPZWSNZQCI-OCVGTWLNSA-N 2 2 246.398 2.718 20 0 BFADLP F[C@@H]1CCC[C@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000335370867 136083225 /nfs/dbraw/zinc/08/32/25/136083225.db2.gz AKYKMSGFKAPMBG-NEPJUHHUSA-N 2 2 247.317 2.705 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C1CC(C)(C)C1)CCC2 ZINC000335573744 136110246 /nfs/dbraw/zinc/11/02/46/136110246.db2.gz FDOYYBQSKKMITG-GFCCVEGCSA-N 2 2 247.386 2.847 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151121942 397735908 /nfs/dbraw/zinc/73/59/08/397735908.db2.gz JZATYRMHCVRTGP-CQSZACIVSA-N 2 2 235.375 2.998 20 0 BFADLP Cc1ccoc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000355603252 397915326 /nfs/dbraw/zinc/91/53/26/397915326.db2.gz XKAGRTNBNAIVCO-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000038076854 397973744 /nfs/dbraw/zinc/97/37/44/397973744.db2.gz YWIOBCMHXMDGMP-HNNXBMFYSA-N 2 2 232.371 2.617 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000038076854 397973749 /nfs/dbraw/zinc/97/37/49/397973749.db2.gz YWIOBCMHXMDGMP-HNNXBMFYSA-N 2 2 232.371 2.617 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000310037532 398052709 /nfs/dbraw/zinc/05/27/09/398052709.db2.gz VFPQSVAKYMDOBW-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000393250464 487569212 /nfs/dbraw/zinc/56/92/12/487569212.db2.gz WUGXQWDDLVXBII-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC000393250464 487569216 /nfs/dbraw/zinc/56/92/16/487569216.db2.gz WUGXQWDDLVXBII-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000393343560 487572565 /nfs/dbraw/zinc/57/25/65/487572565.db2.gz CFAKBCOLZLRZRF-JSGCOSHPSA-N 2 2 248.370 2.527 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000393343560 487572570 /nfs/dbraw/zinc/57/25/70/487572570.db2.gz CFAKBCOLZLRZRF-JSGCOSHPSA-N 2 2 248.370 2.527 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000393351779 487573444 /nfs/dbraw/zinc/57/34/44/487573444.db2.gz KDDRGYYEZXAUPB-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1 ZINC000393351779 487573448 /nfs/dbraw/zinc/57/34/48/487573448.db2.gz KDDRGYYEZXAUPB-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000393351781 487574199 /nfs/dbraw/zinc/57/41/99/487574199.db2.gz KDDRGYYEZXAUPB-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccccc32)C1 ZINC000393351781 487574205 /nfs/dbraw/zinc/57/42/05/487574205.db2.gz KDDRGYYEZXAUPB-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP CCCc1[nH+]ccn1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000318662039 487574763 /nfs/dbraw/zinc/57/47/63/487574763.db2.gz JZLIVKLAAWBVRT-KBPBESRZSA-N 2 2 249.402 2.814 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000086880756 487578617 /nfs/dbraw/zinc/57/86/17/487578617.db2.gz CKRSHTPEDQYLGH-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP c1cn(CCCC[NH2+]C[C@H]2CC=CCC2)c[nH+]1 ZINC000044353217 322910167 /nfs/dbraw/zinc/91/01/67/322910167.db2.gz VAPBIKQNLMRHLF-AWEZNQCLSA-N 2 2 233.359 2.609 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000304332545 487594302 /nfs/dbraw/zinc/59/43/02/487594302.db2.gz UMYBEJYCZDDAFC-NEPJUHHUSA-N 2 2 223.364 2.543 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)Cn1cc[nH+]c1)C(C)(C)C ZINC000304332547 487594641 /nfs/dbraw/zinc/59/46/41/487594641.db2.gz UMYBEJYCZDDAFC-RYUDHWBXSA-N 2 2 223.364 2.543 20 0 BFADLP c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000232476488 487597050 /nfs/dbraw/zinc/59/70/50/487597050.db2.gz DVFZVWARIDOLND-HOCLYGCPSA-N 2 2 244.382 2.796 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCCC1CCC1 ZINC000662282486 409608852 /nfs/dbraw/zinc/60/88/52/409608852.db2.gz AEAMFESEBZRSRM-UHFFFAOYSA-N 2 2 236.403 2.770 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCCC1CCC1 ZINC000662282486 409608859 /nfs/dbraw/zinc/60/88/59/409608859.db2.gz AEAMFESEBZRSRM-UHFFFAOYSA-N 2 2 236.403 2.770 20 0 BFADLP C[C@H]1C[C@H](C)C[NH+](CC[N@H+](C)C(C)(C)C)C1 ZINC000660904487 409951140 /nfs/dbraw/zinc/95/11/40/409951140.db2.gz SYPLHGOEIQWUTR-STQMWFEESA-N 2 2 226.408 2.695 20 0 BFADLP C[C@H]1C[C@H](C)C[NH+](CC[N@@H+](C)C(C)(C)C)C1 ZINC000660904487 409951142 /nfs/dbraw/zinc/95/11/42/409951142.db2.gz SYPLHGOEIQWUTR-STQMWFEESA-N 2 2 226.408 2.695 20 0 BFADLP CC(C)c1cccc(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000663313832 410107088 /nfs/dbraw/zinc/10/70/88/410107088.db2.gz UMZZPAGTYNJZHS-UHFFFAOYSA-N 2 2 243.354 2.796 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000665295016 410790051 /nfs/dbraw/zinc/79/00/51/410790051.db2.gz ZQJAUZKGIXMTAA-IUCAKERBSA-N 2 2 244.741 2.738 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000665296116 410802583 /nfs/dbraw/zinc/80/25/83/410802583.db2.gz NBYHNCXBMJOTAT-DOMZBBRYSA-N 2 2 232.371 2.570 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000665298516 410831474 /nfs/dbraw/zinc/83/14/74/410831474.db2.gz XHIIVEUWOPCFOK-VXGBXAGGSA-N 2 2 246.354 3.000 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000651225510 410870439 /nfs/dbraw/zinc/87/04/39/410870439.db2.gz DYNKEIDCUBVZKP-TZMCWYRMSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000651225510 410870444 /nfs/dbraw/zinc/87/04/44/410870444.db2.gz DYNKEIDCUBVZKP-TZMCWYRMSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000651225509 410870622 /nfs/dbraw/zinc/87/06/22/410870622.db2.gz DYNKEIDCUBVZKP-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000651225509 410870628 /nfs/dbraw/zinc/87/06/28/410870628.db2.gz DYNKEIDCUBVZKP-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000651225487 410870849 /nfs/dbraw/zinc/87/08/49/410870849.db2.gz CFSCAJBQRHAJNP-JKSUJKDBSA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000651225487 410870856 /nfs/dbraw/zinc/87/08/56/410870856.db2.gz CFSCAJBQRHAJNP-JKSUJKDBSA-N 2 2 248.414 2.639 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000665297655 410819328 /nfs/dbraw/zinc/81/93/28/410819328.db2.gz JFOBSBWHOZIRDD-WFASDCNBSA-N 2 2 246.398 2.997 20 0 BFADLP CC(C)C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904519 167011913 /nfs/dbraw/zinc/01/19/13/167011913.db2.gz PEYOBPLWPJOSIR-MRXNPFEDSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904519 167011914 /nfs/dbraw/zinc/01/19/14/167011914.db2.gz PEYOBPLWPJOSIR-MRXNPFEDSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)[NH2+]CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000125262301 167097079 /nfs/dbraw/zinc/09/70/79/167097079.db2.gz YLRNBVQZAGEUHE-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000651667600 411133487 /nfs/dbraw/zinc/13/34/87/411133487.db2.gz JMMATQWHECNCDB-JSGCOSHPSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1CCCCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000651832782 411147039 /nfs/dbraw/zinc/14/70/39/411147039.db2.gz CMJHMQVAEZBWHI-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092322 411242392 /nfs/dbraw/zinc/24/23/92/411242392.db2.gz PPGSISWUKJUJCV-RWMBFGLXSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092322 411242394 /nfs/dbraw/zinc/24/23/94/411242394.db2.gz PPGSISWUKJUJCV-RWMBFGLXSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658093984 411243640 /nfs/dbraw/zinc/24/36/40/411243640.db2.gz WPXQTVBBIBGCQA-KBPBESRZSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658093984 411243643 /nfs/dbraw/zinc/24/36/43/411243643.db2.gz WPXQTVBBIBGCQA-KBPBESRZSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)C[N@@H+]1C1CC1 ZINC000652272300 411184469 /nfs/dbraw/zinc/18/44/69/411184469.db2.gz HENVILICGHSSHN-YPMHNXCESA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)C[N@H+]1C1CC1 ZINC000652272300 411184471 /nfs/dbraw/zinc/18/44/71/411184471.db2.gz HENVILICGHSSHN-YPMHNXCESA-N 2 2 234.387 2.534 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000658097153 411244986 /nfs/dbraw/zinc/24/49/86/411244986.db2.gz VGBKIVVOIHQDBA-LLVKDONJSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000658097153 411244987 /nfs/dbraw/zinc/24/49/87/411244987.db2.gz VGBKIVVOIHQDBA-LLVKDONJSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCC(F)(F)CC1 ZINC000653871336 411202947 /nfs/dbraw/zinc/20/29/47/411202947.db2.gz CXTQSEPEVCDBRT-VIFPVBQESA-N 2 2 243.301 2.713 20 0 BFADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000652358582 411216530 /nfs/dbraw/zinc/21/65/30/411216530.db2.gz UOOSBXPDZJUVQB-LLVKDONJSA-N 2 2 246.354 2.829 20 0 BFADLP Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000652358582 411216534 /nfs/dbraw/zinc/21/65/34/411216534.db2.gz UOOSBXPDZJUVQB-LLVKDONJSA-N 2 2 246.354 2.829 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C1CCC1 ZINC000658057297 411224158 /nfs/dbraw/zinc/22/41/58/411224158.db2.gz OKXFQYLUWNABAI-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C1CCC1 ZINC000658057297 411224161 /nfs/dbraw/zinc/22/41/61/411224161.db2.gz OKXFQYLUWNABAI-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP CCC(CC)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656278764 411229140 /nfs/dbraw/zinc/22/91/40/411229140.db2.gz UJRLICDDVVDZDH-UONOGXRCSA-N 2 2 224.392 2.782 20 0 BFADLP CCC(CC)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656278764 411229142 /nfs/dbraw/zinc/22/91/42/411229142.db2.gz UJRLICDDVVDZDH-UONOGXRCSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1C[C@H]1C ZINC000658064030 411229651 /nfs/dbraw/zinc/22/96/51/411229651.db2.gz XNINPDXEBGPBPM-RQJABVFESA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@@H]1C[C@H]1C ZINC000658064030 411229652 /nfs/dbraw/zinc/22/96/52/411229652.db2.gz XNINPDXEBGPBPM-RQJABVFESA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000658062987 411229772 /nfs/dbraw/zinc/22/97/72/411229772.db2.gz UIWURAAJQZUBEY-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000658062987 411229774 /nfs/dbraw/zinc/22/97/74/411229774.db2.gz UIWURAAJQZUBEY-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC000658090026 411241295 /nfs/dbraw/zinc/24/12/95/411241295.db2.gz CWQMQDVJMZNQDH-QWHCGFSZSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000658090026 411241298 /nfs/dbraw/zinc/24/12/98/411241298.db2.gz CWQMQDVJMZNQDH-QWHCGFSZSA-N 2 2 226.408 2.883 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000186267341 411293268 /nfs/dbraw/zinc/29/32/68/411293268.db2.gz XPXSETMVVQGUGM-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000186267341 411293269 /nfs/dbraw/zinc/29/32/69/411293269.db2.gz XPXSETMVVQGUGM-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[NH+](CC)[C@@H](C)CNc1cc(C)cc[nH+]1 ZINC000268315257 411297863 /nfs/dbraw/zinc/29/78/63/411297863.db2.gz LDSIGAYNLVDYCY-LBPRGKRZSA-N 2 2 221.348 2.532 20 0 BFADLP Cc1ccc(NCc2[nH+]ccn2C(C)C)[nH+]c1 ZINC000656767680 411363022 /nfs/dbraw/zinc/36/30/22/411363022.db2.gz OCDYVKQSLPVKMF-UHFFFAOYSA-N 2 2 230.315 2.780 20 0 BFADLP Cc1ccc2c(c1)C[N@H+](C[C@@H]([NH3+])CC(C)C)CC2 ZINC000656787679 411365858 /nfs/dbraw/zinc/36/58/58/411365858.db2.gz QYWQJTUDYDFYKW-INIZCTEOSA-N 2 2 246.398 2.727 20 0 BFADLP Cc1ccc2c(c1)C[N@@H+](C[C@@H]([NH3+])CC(C)C)CC2 ZINC000656787679 411365860 /nfs/dbraw/zinc/36/58/60/411365860.db2.gz QYWQJTUDYDFYKW-INIZCTEOSA-N 2 2 246.398 2.727 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291604936 168103725 /nfs/dbraw/zinc/10/37/25/168103725.db2.gz QQZYBEPOFPLQNZ-DZGCQCFKSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000291604936 168103728 /nfs/dbraw/zinc/10/37/28/168103728.db2.gz QQZYBEPOFPLQNZ-DZGCQCFKSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000276765881 168105005 /nfs/dbraw/zinc/10/50/05/168105005.db2.gz NOXQKBQXRNGHCM-ZNMIVQPWSA-N 2 2 247.386 2.854 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000356300056 168130091 /nfs/dbraw/zinc/13/00/91/168130091.db2.gz RGZDXUJGTCNNJJ-ZFWWWQNUSA-N 2 2 248.414 2.759 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000356300056 168130093 /nfs/dbraw/zinc/13/00/93/168130093.db2.gz RGZDXUJGTCNNJJ-ZFWWWQNUSA-N 2 2 248.414 2.759 20 0 BFADLP CC1CC[NH+](CC[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000040771701 168180791 /nfs/dbraw/zinc/18/07/91/168180791.db2.gz QVCFRZBKKQBXLM-HNNXBMFYSA-N 2 2 236.403 2.664 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000040771119 168181710 /nfs/dbraw/zinc/18/17/10/168181710.db2.gz GHFZTRFLLIWISX-HUUCEWRRSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[NH2+]C[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000052376819 168186846 /nfs/dbraw/zinc/18/68/46/168186846.db2.gz SUGXTWVNCJOFNA-AWEZNQCLSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657306075 411458422 /nfs/dbraw/zinc/45/84/22/411458422.db2.gz XVRFZYBADIVQCA-TZMCWYRMSA-N 2 2 247.386 2.888 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)n1C ZINC000657285532 411444657 /nfs/dbraw/zinc/44/46/57/411444657.db2.gz HXGYMLQHXVXNGU-MISXGVKJSA-N 2 2 235.375 2.643 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)n1C ZINC000657285529 411444946 /nfs/dbraw/zinc/44/49/46/411444946.db2.gz HXGYMLQHXVXNGU-COPLHBTASA-N 2 2 235.375 2.643 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657329096 411467520 /nfs/dbraw/zinc/46/75/20/411467520.db2.gz JXCRXOAUVTUIAS-QWHCGFSZSA-N 2 2 247.386 2.745 20 0 BFADLP C1=CCC(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000659846804 411474923 /nfs/dbraw/zinc/47/49/23/411474923.db2.gz XKPFUUTWNCNHBR-OAHLLOKOSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CCC(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000659846804 411474925 /nfs/dbraw/zinc/47/49/25/411474925.db2.gz XKPFUUTWNCNHBR-OAHLLOKOSA-N 2 2 234.387 2.513 20 0 BFADLP CC1(C)CCC([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657374183 411482600 /nfs/dbraw/zinc/48/26/00/411482600.db2.gz GHTVBBMZPHLKLX-UHFFFAOYSA-N 2 2 247.386 2.888 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)n1C ZINC000657372811 411486174 /nfs/dbraw/zinc/48/61/74/411486174.db2.gz XWBHGUCYBVSSGF-GHMZBOCLSA-N 2 2 235.375 2.643 20 0 BFADLP Cc1[nH]c(CNc2cccc(C3CC3)[nH+]2)[nH+]c1C ZINC000657473802 411523888 /nfs/dbraw/zinc/52/38/88/411523888.db2.gz RHMMRHVWEFEKPI-UHFFFAOYSA-N 2 2 242.326 2.911 20 0 BFADLP CC(C)(C)C1CC([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657474694 411523973 /nfs/dbraw/zinc/52/39/73/411523973.db2.gz CLZWZJDTQOOVOM-UHFFFAOYSA-N 2 2 247.386 2.744 20 0 BFADLP CC1(C)CCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657475960 411525151 /nfs/dbraw/zinc/52/51/51/411525151.db2.gz JCVKCJFEIVJJAP-LBPRGKRZSA-N 2 2 247.386 2.745 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657328181 411466132 /nfs/dbraw/zinc/46/61/32/411466132.db2.gz RQEVFVRSWHUOGR-CHWSQXEVSA-N 2 2 247.386 2.745 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000336888256 170013180 /nfs/dbraw/zinc/01/31/80/170013180.db2.gz DYFZPUBTBJXZPK-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000336888256 170013181 /nfs/dbraw/zinc/01/31/81/170013181.db2.gz DYFZPUBTBJXZPK-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000328389858 170021181 /nfs/dbraw/zinc/02/11/81/170021181.db2.gz XPQZMHCJOPUYMH-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000328389858 170021182 /nfs/dbraw/zinc/02/11/82/170021182.db2.gz XPQZMHCJOPUYMH-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)o1 ZINC000091892425 170023446 /nfs/dbraw/zinc/02/34/46/170023446.db2.gz JEZZACWBJBKDEF-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc(C)o1 ZINC000091892425 170023448 /nfs/dbraw/zinc/02/34/48/170023448.db2.gz JEZZACWBJBKDEF-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(C)o1 ZINC000091892425 170023449 /nfs/dbraw/zinc/02/34/49/170023449.db2.gz JEZZACWBJBKDEF-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(C)o1 ZINC000091892425 170023451 /nfs/dbraw/zinc/02/34/51/170023451.db2.gz JEZZACWBJBKDEF-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CC(C)C)CC2)C1 ZINC000358387389 170032307 /nfs/dbraw/zinc/03/23/07/170032307.db2.gz BMEVPAJXOLKKRX-ZIAGYGMSSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CC(C)C)CC2)C1 ZINC000358387389 170032308 /nfs/dbraw/zinc/03/23/08/170032308.db2.gz BMEVPAJXOLKKRX-ZIAGYGMSSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCc3occc32)[C@@H](C)C1 ZINC000360047172 170036637 /nfs/dbraw/zinc/03/66/37/170036637.db2.gz SZMWNNWSBQKQOB-UBHSHLNASA-N 2 2 248.370 2.587 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCc3occc32)[C@@H](C)C1 ZINC000360047172 170036638 /nfs/dbraw/zinc/03/66/38/170036638.db2.gz SZMWNNWSBQKQOB-UBHSHLNASA-N 2 2 248.370 2.587 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657522370 411540594 /nfs/dbraw/zinc/54/05/94/411540594.db2.gz BEPNVFVZKGTYBM-CHWSQXEVSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657522370 411540596 /nfs/dbraw/zinc/54/05/96/411540596.db2.gz BEPNVFVZKGTYBM-CHWSQXEVSA-N 2 2 226.408 2.883 20 0 BFADLP Cc1cccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000657525507 411543507 /nfs/dbraw/zinc/54/35/07/411543507.db2.gz YAZRAJQZKXMYFT-OAHLLOKOSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1cccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000657525507 411543509 /nfs/dbraw/zinc/54/35/09/411543509.db2.gz YAZRAJQZKXMYFT-OAHLLOKOSA-N 2 2 246.398 2.957 20 0 BFADLP C1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655849133 411536705 /nfs/dbraw/zinc/53/67/05/411536705.db2.gz NLIGPQJPNURACG-CABCVRRESA-N 2 2 236.403 2.926 20 0 BFADLP C1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655849133 411536707 /nfs/dbraw/zinc/53/67/07/411536707.db2.gz NLIGPQJPNURACG-CABCVRRESA-N 2 2 236.403 2.926 20 0 BFADLP CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848902 411536886 /nfs/dbraw/zinc/53/68/86/411536886.db2.gz LGXFJQJCDCLUDU-MELADBBJSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848902 411536887 /nfs/dbraw/zinc/53/68/87/411536887.db2.gz LGXFJQJCDCLUDU-MELADBBJSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849239 411536962 /nfs/dbraw/zinc/53/69/62/411536962.db2.gz REHVFGYZFDCVDW-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849239 411536964 /nfs/dbraw/zinc/53/69/64/411536964.db2.gz REHVFGYZFDCVDW-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849354 411537689 /nfs/dbraw/zinc/53/76/89/411537689.db2.gz ULZKBBGZFZQFLD-ZIAGYGMSSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849354 411537690 /nfs/dbraw/zinc/53/76/90/411537690.db2.gz ULZKBBGZFZQFLD-ZIAGYGMSSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[N@H+](CCC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000660109374 411538319 /nfs/dbraw/zinc/53/83/19/411538319.db2.gz CSUKCBBJZDGXOB-UKRRQHHQSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CC[N@@H+](CCC2CCC2)C[C@H]1n1cc[nH+]c1 ZINC000660109374 411538321 /nfs/dbraw/zinc/53/83/21/411538321.db2.gz CSUKCBBJZDGXOB-UKRRQHHQSA-N 2 2 247.386 2.956 20 0 BFADLP Cc1[nH+]cc(C[NH2+]Cc2cc(C)cc(C)c2)n1C ZINC000657625676 411565555 /nfs/dbraw/zinc/56/55/55/411565555.db2.gz BOBQEAXSVWFXJS-UHFFFAOYSA-N 2 2 243.354 2.635 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2ccc(C)cn12)C1CC1 ZINC000657679322 411580285 /nfs/dbraw/zinc/58/02/85/411580285.db2.gz CRVSHZNDNMYCPS-AWEZNQCLSA-N 2 2 243.354 2.921 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC000657741580 411588668 /nfs/dbraw/zinc/58/86/68/411588668.db2.gz HJPWROQDRKDSOP-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC000657741580 411588669 /nfs/dbraw/zinc/58/86/69/411588669.db2.gz HJPWROQDRKDSOP-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]CC3=CCCC3)n2c1 ZINC000657750051 411593049 /nfs/dbraw/zinc/59/30/49/411593049.db2.gz YMYNVUVZVRZCDB-UHFFFAOYSA-N 2 2 241.338 2.843 20 0 BFADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CC1CC=CC1 ZINC000660549116 411598808 /nfs/dbraw/zinc/59/88/08/411598808.db2.gz IKHOMYZWSOGUPA-ZFWWWQNUSA-N 2 2 234.387 2.511 20 0 BFADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CC1CC=CC1 ZINC000660549116 411598809 /nfs/dbraw/zinc/59/88/09/411598809.db2.gz IKHOMYZWSOGUPA-ZFWWWQNUSA-N 2 2 234.387 2.511 20 0 BFADLP C[C@@H]1CCC[C@@H](CC[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660577642 411603012 /nfs/dbraw/zinc/60/30/12/411603012.db2.gz IPMLTYHDJCDOOX-KGLIPLIRSA-N 2 2 247.386 2.915 20 0 BFADLP C[C@@H]1CCC[C@@H](CC[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660577642 411603014 /nfs/dbraw/zinc/60/30/14/411603014.db2.gz IPMLTYHDJCDOOX-KGLIPLIRSA-N 2 2 247.386 2.915 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657816976 411605760 /nfs/dbraw/zinc/60/57/60/411605760.db2.gz LGCZMJJFTYVORY-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cccc2c1CCC[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000663502918 411685907 /nfs/dbraw/zinc/68/59/07/411685907.db2.gz IXGVEVDOUZBSFF-XJKSGUPXSA-N 2 2 244.382 2.714 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000663508087 411690984 /nfs/dbraw/zinc/69/09/84/411690984.db2.gz ICHCJAWQHYCFHX-JTQLQIEISA-N 2 2 240.416 2.743 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000663509184 411691469 /nfs/dbraw/zinc/69/14/69/411691469.db2.gz IAQOMBLDBUIXAJ-LLVKDONJSA-N 2 2 240.778 2.654 20 0 BFADLP CC(C)CC1([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000662067835 411970164 /nfs/dbraw/zinc/97/01/64/411970164.db2.gz DGAFFMUGUQDBQC-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000020126809 170895515 /nfs/dbraw/zinc/89/55/15/170895515.db2.gz VQQGKEQTWWEMRW-OAHLLOKOSA-N 2 2 232.371 2.823 20 0 BFADLP CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1c[nH+]cn1C ZINC000662128192 411994751 /nfs/dbraw/zinc/99/47/51/411994751.db2.gz MTTKIZZVOUAKAE-AGUYFDCRSA-N 2 2 247.386 2.616 20 0 BFADLP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCc1c[nH+]cn1C ZINC000662128192 411994753 /nfs/dbraw/zinc/99/47/53/411994753.db2.gz MTTKIZZVOUAKAE-AGUYFDCRSA-N 2 2 247.386 2.616 20 0 BFADLP c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)[nH+]c1 ZINC000664679990 412009014 /nfs/dbraw/zinc/00/90/14/412009014.db2.gz JLMUVZHAOGULDW-CQSZACIVSA-N 2 2 245.370 2.616 20 0 BFADLP c1ccc(NC[C@H]2CCC[N@@H+](CC3CC3)C2)[nH+]c1 ZINC000664679990 412009016 /nfs/dbraw/zinc/00/90/16/412009016.db2.gz JLMUVZHAOGULDW-CQSZACIVSA-N 2 2 245.370 2.616 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc(C(C)C)c1 ZINC000662243904 412039763 /nfs/dbraw/zinc/03/97/63/412039763.db2.gz GLVDBDYCEIRMOY-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc(C(C)C)c1 ZINC000662243904 412039765 /nfs/dbraw/zinc/03/97/65/412039765.db2.gz GLVDBDYCEIRMOY-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(C(C)C)c1 ZINC000662243906 412039852 /nfs/dbraw/zinc/03/98/52/412039852.db2.gz GLVDBDYCEIRMOY-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(C(C)C)c1 ZINC000662243906 412039856 /nfs/dbraw/zinc/03/98/56/412039856.db2.gz GLVDBDYCEIRMOY-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP c1cn(CCC[N@H+](CCC2CC2)CC2CC2)c[nH+]1 ZINC000662179509 412021930 /nfs/dbraw/zinc/02/19/30/412021930.db2.gz PQRQGWNPZFQTLS-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@@H+](CCC2CC2)CC2CC2)c[nH+]1 ZINC000662179509 412021933 /nfs/dbraw/zinc/02/19/33/412021933.db2.gz PQRQGWNPZFQTLS-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000309708628 171049836 /nfs/dbraw/zinc/04/98/36/171049836.db2.gz PRYQDVGBXVBURV-DGAVXFQQSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000310001806 171058474 /nfs/dbraw/zinc/05/84/74/171058474.db2.gz FECWVBKCWRCJFL-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000310001806 171058478 /nfs/dbraw/zinc/05/84/78/171058478.db2.gz FECWVBKCWRCJFL-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000336725592 171059323 /nfs/dbraw/zinc/05/93/23/171059323.db2.gz FXDCEYSJVDBKIP-ZIAGYGMSSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000354209716 171115451 /nfs/dbraw/zinc/11/54/51/171115451.db2.gz UOQYYBFURUZEHE-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H](C)C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000309579464 171285171 /nfs/dbraw/zinc/28/51/71/171285171.db2.gz PZEBUHXCDYELSF-ZDUSSCGKSA-N 2 2 226.408 2.744 20 0 BFADLP CC[C@H](C)C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000309579464 171285172 /nfs/dbraw/zinc/28/51/72/171285172.db2.gz PZEBUHXCDYELSF-ZDUSSCGKSA-N 2 2 226.408 2.744 20 0 BFADLP CC[C@H](C)C[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000020129455 171287227 /nfs/dbraw/zinc/28/72/27/171287227.db2.gz BWEUGRUXYDQXHE-ZFWWWQNUSA-N 2 2 234.387 2.925 20 0 BFADLP CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000053448148 171340780 /nfs/dbraw/zinc/34/07/80/171340780.db2.gz TYKUIZYKOYSAGU-UONOGXRCSA-N 2 2 246.398 2.821 20 0 BFADLP CC[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000053448148 171340781 /nfs/dbraw/zinc/34/07/81/171340781.db2.gz TYKUIZYKOYSAGU-UONOGXRCSA-N 2 2 246.398 2.821 20 0 BFADLP CC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034973323 171347479 /nfs/dbraw/zinc/34/74/79/171347479.db2.gz ONHTUKNUYHHZES-DZGCQCFKSA-N 2 2 232.371 2.649 20 0 BFADLP CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034973323 171347480 /nfs/dbraw/zinc/34/74/80/171347480.db2.gz ONHTUKNUYHHZES-DZGCQCFKSA-N 2 2 232.371 2.649 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000309713528 171388846 /nfs/dbraw/zinc/38/88/46/171388846.db2.gz RTGPQGKXUWBZNN-KBPBESRZSA-N 2 2 224.392 2.663 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000309713528 171388848 /nfs/dbraw/zinc/38/88/48/171388848.db2.gz RTGPQGKXUWBZNN-KBPBESRZSA-N 2 2 224.392 2.663 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000234037751 171525504 /nfs/dbraw/zinc/52/55/04/171525504.db2.gz VFXGPZWDPWJCMD-GJZGRUSLSA-N 2 2 232.371 2.788 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665277247 412221217 /nfs/dbraw/zinc/22/12/17/412221217.db2.gz XMGDDHYJCHSKIO-YGONEPDPSA-N 2 2 244.382 2.652 20 0 BFADLP CCC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccccc1 ZINC000665294235 412238992 /nfs/dbraw/zinc/23/89/92/412238992.db2.gz KXMOUZOTURCJKU-GXTWGEPZSA-N 2 2 220.360 2.725 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000665294717 412240354 /nfs/dbraw/zinc/24/03/54/412240354.db2.gz UZKOYUHCPFTKTB-GHMZBOCLSA-N 2 2 232.327 2.691 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000665294918 412240583 /nfs/dbraw/zinc/24/05/83/412240583.db2.gz YRNCNKXHFZBBGT-SLEUVZQESA-N 2 2 232.371 2.823 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000665294718 412240871 /nfs/dbraw/zinc/24/08/71/412240871.db2.gz UZKOYUHCPFTKTB-MNOVXSKESA-N 2 2 232.327 2.691 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000665295664 412241540 /nfs/dbraw/zinc/24/15/40/412241540.db2.gz HLGYQYZFBYOVID-UKRRQHHQSA-N 2 2 234.387 2.971 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000665296261 412242943 /nfs/dbraw/zinc/24/29/43/412242943.db2.gz PQTUKSTZHISZRT-DOMZBBRYSA-N 2 2 232.371 2.725 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000665296765 412244344 /nfs/dbraw/zinc/24/43/44/412244344.db2.gz XNIVKEDENSHBJQ-WFASDCNBSA-N 2 2 232.371 2.644 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000665297914 412244543 /nfs/dbraw/zinc/24/45/43/412244543.db2.gz OBVXGGIXZGLUSC-ZFWWWQNUSA-N 2 2 246.398 2.878 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000234149482 171839488 /nfs/dbraw/zinc/83/94/88/171839488.db2.gz LUROBZJUKPRLRZ-SWLSCSKDSA-N 2 2 232.371 2.652 20 0 BFADLP CCc1cccnc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000356910902 171898936 /nfs/dbraw/zinc/89/89/36/171898936.db2.gz ZHQCWZNDZBLIKR-CHWSQXEVSA-N 2 2 249.402 2.635 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000328165499 487624650 /nfs/dbraw/zinc/62/46/50/487624650.db2.gz ITHQBSIPHSQXJL-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000328165499 487624655 /nfs/dbraw/zinc/62/46/55/487624655.db2.gz ITHQBSIPHSQXJL-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[NH+]1CCC(Oc2ccc3c[nH+]ccc3c2)CC1 ZINC000202374134 173000304 /nfs/dbraw/zinc/00/03/04/173000304.db2.gz GHHXQFGKAOSVLA-UHFFFAOYSA-N 2 2 242.322 2.708 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000154619813 173035023 /nfs/dbraw/zinc/03/50/23/173035023.db2.gz DVECAHYUFANOCW-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000154619813 173035025 /nfs/dbraw/zinc/03/50/25/173035025.db2.gz DVECAHYUFANOCW-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000042543730 173124494 /nfs/dbraw/zinc/12/44/94/173124494.db2.gz CMWXIKOMAFNPJZ-MRXNPFEDSA-N 2 2 240.350 2.634 20 0 BFADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000042543730 173124496 /nfs/dbraw/zinc/12/44/96/173124496.db2.gz CMWXIKOMAFNPJZ-MRXNPFEDSA-N 2 2 240.350 2.634 20 0 BFADLP C[NH2+]CCC[N@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000124766076 173345970 /nfs/dbraw/zinc/34/59/70/173345970.db2.gz OHGYRKDVALNDMX-JTQLQIEISA-N 2 2 242.313 2.567 20 0 BFADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1cc(F)ccc1F ZINC000124766076 173345972 /nfs/dbraw/zinc/34/59/72/173345972.db2.gz OHGYRKDVALNDMX-JTQLQIEISA-N 2 2 242.313 2.567 20 0 BFADLP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1Cl ZINC000083376237 173348612 /nfs/dbraw/zinc/34/86/12/173348612.db2.gz JCQFARQMTZDBIM-UHFFFAOYSA-N 2 2 247.169 2.693 20 0 BFADLP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccccc1C ZINC000042407821 173378087 /nfs/dbraw/zinc/37/80/87/173378087.db2.gz QTPISWAWBKRPGY-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccccc1C ZINC000042407821 173378089 /nfs/dbraw/zinc/37/80/89/173378089.db2.gz QTPISWAWBKRPGY-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000133053357 173380270 /nfs/dbraw/zinc/38/02/70/173380270.db2.gz PGLRFGGJULNWCS-CYBMUJFWSA-N 2 2 244.338 2.617 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000133053357 173380271 /nfs/dbraw/zinc/38/02/71/173380271.db2.gz PGLRFGGJULNWCS-CYBMUJFWSA-N 2 2 244.338 2.617 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000042544079 175915123 /nfs/dbraw/zinc/91/51/23/175915123.db2.gz FQUIYUBBRGYHJL-ZWNOBZJWSA-N 2 2 238.762 2.695 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000042544079 175915124 /nfs/dbraw/zinc/91/51/24/175915124.db2.gz FQUIYUBBRGYHJL-ZWNOBZJWSA-N 2 2 238.762 2.695 20 0 BFADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000022045919 176018243 /nfs/dbraw/zinc/01/82/43/176018243.db2.gz JBAXESNOFDKBML-NSHDSACASA-N 2 2 238.762 2.696 20 0 BFADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[NH2+]CC1 ZINC000022045919 176018244 /nfs/dbraw/zinc/01/82/44/176018244.db2.gz JBAXESNOFDKBML-NSHDSACASA-N 2 2 238.762 2.696 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000358410676 176051384 /nfs/dbraw/zinc/05/13/84/176051384.db2.gz WJHRIAGJNREZCI-MQYQWHSLSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000358410676 176051387 /nfs/dbraw/zinc/05/13/87/176051387.db2.gz WJHRIAGJNREZCI-MQYQWHSLSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336776688 176081256 /nfs/dbraw/zinc/08/12/56/176081256.db2.gz GJIMFFCWLKSEAL-MQYQWHSLSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336776688 176081258 /nfs/dbraw/zinc/08/12/58/176081258.db2.gz GJIMFFCWLKSEAL-MQYQWHSLSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336776690 176081929 /nfs/dbraw/zinc/08/19/29/176081929.db2.gz GJIMFFCWLKSEAL-YIYPIFLZSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336776690 176081930 /nfs/dbraw/zinc/08/19/30/176081930.db2.gz GJIMFFCWLKSEAL-YIYPIFLZSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000341455556 176128782 /nfs/dbraw/zinc/12/87/82/176128782.db2.gz CCEYZTQGGDYGAS-CHWSQXEVSA-N 2 2 243.354 2.860 20 0 BFADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)CC1(C)C ZINC000354031133 176171321 /nfs/dbraw/zinc/17/13/21/176171321.db2.gz DHRLKOALADZXIL-CYBMUJFWSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)CC1(C)C ZINC000354031133 176171322 /nfs/dbraw/zinc/17/13/22/176171322.db2.gz DHRLKOALADZXIL-CYBMUJFWSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000228981240 176233470 /nfs/dbraw/zinc/23/34/70/176233470.db2.gz ZCICIHDOBURUPK-INWMFGNUSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCC(C)(C)C ZINC000309774680 176276851 /nfs/dbraw/zinc/27/68/51/176276851.db2.gz LJTPIOMOCIJUEF-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCC(C)(C)C ZINC000309774680 176276852 /nfs/dbraw/zinc/27/68/52/176276852.db2.gz LJTPIOMOCIJUEF-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000358388223 176278943 /nfs/dbraw/zinc/27/89/43/176278943.db2.gz CDMMSIMDEAGHFC-UHOFOFEASA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000358388223 176278945 /nfs/dbraw/zinc/27/89/45/176278945.db2.gz CDMMSIMDEAGHFC-UHOFOFEASA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000340422899 176281771 /nfs/dbraw/zinc/28/17/71/176281771.db2.gz YURRBDVKVWNYQC-GWROUVMCSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000340422899 176281772 /nfs/dbraw/zinc/28/17/72/176281772.db2.gz YURRBDVKVWNYQC-GWROUVMCSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337381265 176282543 /nfs/dbraw/zinc/28/25/43/176282543.db2.gz JFAPLOKTOMMAFD-XVLPMQGWSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337381265 176282545 /nfs/dbraw/zinc/28/25/45/176282545.db2.gz JFAPLOKTOMMAFD-XVLPMQGWSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000133186706 176396674 /nfs/dbraw/zinc/39/66/74/176396674.db2.gz OWDAMUQWPQZELS-TZMCWYRMSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@H](c1ccccn1)[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162408912 177042506 /nfs/dbraw/zinc/04/25/06/177042506.db2.gz OLUHMCSQUGEOJO-KGLIPLIRSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1ccccn1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000162408912 177042507 /nfs/dbraw/zinc/04/25/07/177042507.db2.gz OLUHMCSQUGEOJO-KGLIPLIRSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1ccccn1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000162408912 177042510 /nfs/dbraw/zinc/04/25/10/177042510.db2.gz OLUHMCSQUGEOJO-KGLIPLIRSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1ccccn1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000162408912 177042512 /nfs/dbraw/zinc/04/25/12/177042512.db2.gz OLUHMCSQUGEOJO-KGLIPLIRSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000376768678 177123060 /nfs/dbraw/zinc/12/30/60/177123060.db2.gz OITJKXCLOBLIJX-QWHCGFSZSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@H]1CCC[C@H](C[NH2+]C2(C[NH+](C)C)CCC2)C1 ZINC000337268368 177133010 /nfs/dbraw/zinc/13/30/10/177133010.db2.gz XNPJJYHJGMPOFV-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[N@H+](C/C=C/Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129395422 177157641 /nfs/dbraw/zinc/15/76/41/177157641.db2.gz SKDIUJPSKMIRLP-LZUDYNRMSA-N 2 2 239.750 2.519 20 0 BFADLP C[C@H]1CC[N@@H+](C/C=C/Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129395422 177157642 /nfs/dbraw/zinc/15/76/42/177157642.db2.gz SKDIUJPSKMIRLP-LZUDYNRMSA-N 2 2 239.750 2.519 20 0 BFADLP C[C@H]1C[C@@H]([N@H+](C)[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000104362789 177326950 /nfs/dbraw/zinc/32/69/50/177326950.db2.gz LPSZPZAEEJFWFG-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[C@@H]([N@@H+](C)[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000104362789 177326951 /nfs/dbraw/zinc/32/69/51/177326951.db2.gz LPSZPZAEEJFWFG-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CCC3(CC3)CC2)C[N@@H+]1C1CC1 ZINC000362915020 177369637 /nfs/dbraw/zinc/36/96/37/177369637.db2.gz XUXGQQLUTRQKHI-JSGCOSHPSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CCC3(CC3)CC2)C[N@H+]1C1CC1 ZINC000362915020 177369638 /nfs/dbraw/zinc/36/96/38/177369638.db2.gz XUXGQQLUTRQKHI-JSGCOSHPSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2(C)CCCC2)C[N@@H+]1C1CC1 ZINC000119454162 177369658 /nfs/dbraw/zinc/36/96/58/177369658.db2.gz AVYJKDDSOJSLHK-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2(C)CCCC2)C[N@H+]1C1CC1 ZINC000119454162 177369659 /nfs/dbraw/zinc/36/96/59/177369659.db2.gz AVYJKDDSOJSLHK-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000122285412 177370317 /nfs/dbraw/zinc/37/03/17/177370317.db2.gz HMBHWEVDMMXXMV-FZMZJTMJSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000122285412 177370319 /nfs/dbraw/zinc/37/03/19/177370319.db2.gz HMBHWEVDMMXXMV-FZMZJTMJSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336776689 177420714 /nfs/dbraw/zinc/42/07/14/177420714.db2.gz GJIMFFCWLKSEAL-RFGFWPKPSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336776689 177420716 /nfs/dbraw/zinc/42/07/16/177420716.db2.gz GJIMFFCWLKSEAL-RFGFWPKPSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)C2CCC2)C1 ZINC000324721198 487640967 /nfs/dbraw/zinc/64/09/67/487640967.db2.gz YIBLKOCVXOCAKC-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)C2CCC2)C1 ZINC000324721198 487640975 /nfs/dbraw/zinc/64/09/75/487640975.db2.gz YIBLKOCVXOCAKC-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C1CC(C(C)C)C1 ZINC000488433935 225398051 /nfs/dbraw/zinc/39/80/51/225398051.db2.gz RQKLNBNGYTYPOB-UHFFFAOYSA-N 2 2 232.371 2.957 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)[C@H]1C ZINC000494990038 226274109 /nfs/dbraw/zinc/27/41/09/226274109.db2.gz APZPPYKFSYNOIW-OSRDXIQISA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)[C@H]1C ZINC000494990038 226274110 /nfs/dbraw/zinc/27/41/10/226274110.db2.gz APZPPYKFSYNOIW-OSRDXIQISA-N 2 2 236.403 2.637 20 0 BFADLP c1cn(CCC[NH2+][C@@H]2CCCC23CCC3)c[nH+]1 ZINC000394804516 262748484 /nfs/dbraw/zinc/74/84/84/262748484.db2.gz VRBCYXSFVVNBOZ-CYBMUJFWSA-N 2 2 233.359 2.586 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1CCCCC1(F)F ZINC000308629690 229237926 /nfs/dbraw/zinc/23/79/26/229237926.db2.gz CQUAMXBLSCRPJG-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CC(C)=CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000660149764 487699233 /nfs/dbraw/zinc/69/92/33/487699233.db2.gz SJQXBJGJHGYUFU-UHFFFAOYSA-N 2 2 221.348 2.561 20 0 BFADLP CC(C)=CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000660149764 487699240 /nfs/dbraw/zinc/69/92/40/487699240.db2.gz SJQXBJGJHGYUFU-UHFFFAOYSA-N 2 2 221.348 2.561 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668432502 487745201 /nfs/dbraw/zinc/74/52/01/487745201.db2.gz UOICGEJCDRDKPN-RFGFWPKPSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668432502 487745204 /nfs/dbraw/zinc/74/52/04/487745204.db2.gz UOICGEJCDRDKPN-RFGFWPKPSA-N 2 2 236.403 2.637 20 0 BFADLP CC1=CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668431872 487745376 /nfs/dbraw/zinc/74/53/76/487745376.db2.gz GJBHOBYHRDDUIS-KGLIPLIRSA-N 2 2 236.403 2.948 20 0 BFADLP CC1=CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668431872 487745378 /nfs/dbraw/zinc/74/53/78/487745378.db2.gz GJBHOBYHRDDUIS-KGLIPLIRSA-N 2 2 236.403 2.948 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000233892119 487751593 /nfs/dbraw/zinc/75/15/93/487751593.db2.gz QJUKEWLARRSNSS-HUUCEWRRSA-N 2 2 232.371 2.869 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675767957 487776233 /nfs/dbraw/zinc/77/62/33/487776233.db2.gz UZVNERTXVCNRMQ-XJKSGUPXSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675767957 487776235 /nfs/dbraw/zinc/77/62/35/487776235.db2.gz UZVNERTXVCNRMQ-XJKSGUPXSA-N 2 2 244.382 2.666 20 0 BFADLP [NH3+]CC[N@H+](CCC1CCC1)Cc1ccccc1 ZINC000307263560 487780913 /nfs/dbraw/zinc/78/09/13/487780913.db2.gz VNKPLVRPMMAEKW-UHFFFAOYSA-N 2 2 232.371 2.638 20 0 BFADLP [NH3+]CC[N@@H+](CCC1CCC1)Cc1ccccc1 ZINC000307263560 487780917 /nfs/dbraw/zinc/78/09/17/487780917.db2.gz VNKPLVRPMMAEKW-UHFFFAOYSA-N 2 2 232.371 2.638 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668460205 487784227 /nfs/dbraw/zinc/78/42/27/487784227.db2.gz NIYBJRKNWGSTKO-RFGFWPKPSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000668460205 487784235 /nfs/dbraw/zinc/78/42/35/487784235.db2.gz NIYBJRKNWGSTKO-RFGFWPKPSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)n1C ZINC000667969564 487785916 /nfs/dbraw/zinc/78/59/16/487785916.db2.gz NGWPNPMTBNFKOR-NSHDSACASA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)n1C ZINC000667969564 487785921 /nfs/dbraw/zinc/78/59/21/487785921.db2.gz NGWPNPMTBNFKOR-NSHDSACASA-N 2 2 235.375 2.597 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000675884526 487786738 /nfs/dbraw/zinc/78/67/38/487786738.db2.gz VXMRVUFEBDZNGX-DYEKYZERSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000675884526 487786744 /nfs/dbraw/zinc/78/67/44/487786744.db2.gz VXMRVUFEBDZNGX-DYEKYZERSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000359375496 487787064 /nfs/dbraw/zinc/78/70/64/487787064.db2.gz FKVRMAMADWHCHX-CZUORRHYSA-N 2 2 246.398 2.547 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)n1C ZINC000667972699 487787667 /nfs/dbraw/zinc/78/76/67/487787667.db2.gz YDROZQGEUDYEER-GFCCVEGCSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C(C)(C)C)C2)n1C ZINC000667972699 487787672 /nfs/dbraw/zinc/78/76/72/487787672.db2.gz YDROZQGEUDYEER-GFCCVEGCSA-N 2 2 235.375 2.597 20 0 BFADLP C[NH2+]CCC[N@H+](C)Cc1ccc(C)cc1Cl ZINC000234369638 487807814 /nfs/dbraw/zinc/80/78/14/487807814.db2.gz LCVHLFMYFDNYMW-UHFFFAOYSA-N 2 2 240.778 2.690 20 0 BFADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(C)cc1Cl ZINC000234369638 487807821 /nfs/dbraw/zinc/80/78/21/487807821.db2.gz LCVHLFMYFDNYMW-UHFFFAOYSA-N 2 2 240.778 2.690 20 0 BFADLP C[NH2+]CC[NH2+]Cc1cccc(-c2ccccc2)c1 ZINC000414818045 487825149 /nfs/dbraw/zinc/82/51/49/487825149.db2.gz COHDKXRGEMUKEI-UHFFFAOYSA-N 2 2 240.350 2.663 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000681108320 487839425 /nfs/dbraw/zinc/83/94/25/487839425.db2.gz JYELAFOCCFGTAT-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000681108320 487839429 /nfs/dbraw/zinc/83/94/29/487839429.db2.gz JYELAFOCCFGTAT-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCCC[C@H]2C)n1C ZINC000668115589 487843624 /nfs/dbraw/zinc/84/36/24/487843624.db2.gz CALBXOPPUATUMK-RISCZKNCSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCCC[C@H]2C)n1C ZINC000668115589 487843629 /nfs/dbraw/zinc/84/36/29/487843629.db2.gz CALBXOPPUATUMK-RISCZKNCSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666769100 487854122 /nfs/dbraw/zinc/85/41/22/487854122.db2.gz SDNFIVHHFJROAS-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313249438 487862830 /nfs/dbraw/zinc/86/28/30/487862830.db2.gz AODLUGCQAVSUMU-KBPBESRZSA-N 2 2 249.402 2.911 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313249443 487862975 /nfs/dbraw/zinc/86/29/75/487862975.db2.gz AODLUGCQAVSUMU-ZIAGYGMSSA-N 2 2 249.402 2.911 20 0 BFADLP CC[N@H+](Cc1c[nH+]c(C)n1C)CC(C)(C)C ZINC000668183700 487866379 /nfs/dbraw/zinc/86/63/79/487866379.db2.gz MOXJVKRSDYQDCD-UHFFFAOYSA-N 2 2 223.364 2.597 20 0 BFADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)CC(C)(C)C ZINC000668183700 487866383 /nfs/dbraw/zinc/86/63/83/487866383.db2.gz MOXJVKRSDYQDCD-UHFFFAOYSA-N 2 2 223.364 2.597 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000669847153 487881443 /nfs/dbraw/zinc/88/14/43/487881443.db2.gz KIKJCGFADQFOEV-OWCLPIDISA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000669847153 487881448 /nfs/dbraw/zinc/88/14/48/487881448.db2.gz KIKJCGFADQFOEV-OWCLPIDISA-N 2 2 248.414 2.639 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000676642967 487885665 /nfs/dbraw/zinc/88/56/65/487885665.db2.gz GPTLVMSLKGHLBJ-TXTHVTMNSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000676642967 487885669 /nfs/dbraw/zinc/88/56/69/487885669.db2.gz GPTLVMSLKGHLBJ-TXTHVTMNSA-N 2 2 248.345 2.523 20 0 BFADLP CCCC1CCC([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000666947093 487910964 /nfs/dbraw/zinc/91/09/64/487910964.db2.gz ZWNAAIGSRCJULB-YIOUJQMASA-N 2 2 242.382 2.635 20 0 BFADLP Clc1cscc1C[NH2+]CCC[NH2+]C1CC1 ZINC000666990264 487922020 /nfs/dbraw/zinc/92/20/20/487922020.db2.gz NPWPFPKOOYZSII-UHFFFAOYSA-N 2 2 244.791 2.633 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000235206569 487933744 /nfs/dbraw/zinc/93/37/44/487933744.db2.gz OJQGQIUROKJYFD-ZYHUDNBSSA-N 2 2 224.373 2.541 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000676872081 487938638 /nfs/dbraw/zinc/93/86/38/487938638.db2.gz KCEIVHWEIPZIOC-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000676872081 487938640 /nfs/dbraw/zinc/93/86/40/487938640.db2.gz KCEIVHWEIPZIOC-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000561289377 322998860 /nfs/dbraw/zinc/99/88/60/322998860.db2.gz YMPNJHBMEYSFTD-GFCCVEGCSA-N 2 2 235.375 2.744 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]CC[N@H+](C)CC ZINC000393626166 323004483 /nfs/dbraw/zinc/00/44/83/323004483.db2.gz XYFMSZIQYUMINN-CHWSQXEVSA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)CC ZINC000393626166 323004484 /nfs/dbraw/zinc/00/44/84/323004484.db2.gz XYFMSZIQYUMINN-CHWSQXEVSA-N 2 2 214.397 2.743 20 0 BFADLP CC[C@@H](C[NH2+][C@@H](C(C)C)C1CC1)[NH+]1CCCC1 ZINC000151714506 323025068 /nfs/dbraw/zinc/02/50/68/323025068.db2.gz SRXJOJHHSWTZHA-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH]c(CNc2cc3c(c[nH+]2)CCC3)[nH+]c1C ZINC000570175155 323052157 /nfs/dbraw/zinc/05/21/57/323052157.db2.gz AGKNGKHZSDJCOX-UHFFFAOYSA-N 2 2 242.326 2.522 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000563350895 323120098 /nfs/dbraw/zinc/12/00/98/323120098.db2.gz SZVLEKSOLZWPFP-UKRRQHHQSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000563350895 323120099 /nfs/dbraw/zinc/12/00/99/323120099.db2.gz SZVLEKSOLZWPFP-UKRRQHHQSA-N 2 2 247.386 2.617 20 0 BFADLP c1[nH+]c2n(c1C[NH2+][C@H]1CCCC13CC3)CCCC2 ZINC000563548961 323129762 /nfs/dbraw/zinc/12/97/62/323129762.db2.gz BPHQSEGZMVNWGT-ZDUSSCGKSA-N 2 2 245.370 2.642 20 0 BFADLP Cc1ccc(F)cc1C[N@@H+](C)CCC[NH+](C)C ZINC000571327770 323141542 /nfs/dbraw/zinc/14/15/42/323141542.db2.gz GLWFTYASYTVUOP-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP Cc1ccc(F)cc1C[N@H+](C)CCC[NH+](C)C ZINC000571327770 323141543 /nfs/dbraw/zinc/14/15/43/323141543.db2.gz GLWFTYASYTVUOP-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000531951425 323157012 /nfs/dbraw/zinc/15/70/12/323157012.db2.gz SFQVEZRTBMMGLS-CJNGLKHVSA-N 2 2 246.398 2.850 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000531951425 323157013 /nfs/dbraw/zinc/15/70/13/323157013.db2.gz SFQVEZRTBMMGLS-CJNGLKHVSA-N 2 2 246.398 2.850 20 0 BFADLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)s1 ZINC000049686621 323163810 /nfs/dbraw/zinc/16/38/10/323163810.db2.gz KJAJRJLZFPBUEG-SNVBAGLBSA-N 2 2 249.383 2.740 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000531984506 323163850 /nfs/dbraw/zinc/16/38/50/323163850.db2.gz HFJDPBSSDYNXSZ-KBPBESRZSA-N 2 2 232.371 2.679 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000531984506 323163851 /nfs/dbraw/zinc/16/38/51/323163851.db2.gz HFJDPBSSDYNXSZ-KBPBESRZSA-N 2 2 232.371 2.679 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)cc1C ZINC000530177925 323205520 /nfs/dbraw/zinc/20/55/20/323205520.db2.gz LTSKPFFLGKFEAD-HNNXBMFYSA-N 2 2 244.382 2.678 20 0 BFADLP CCCC1CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000532208502 323209887 /nfs/dbraw/zinc/20/98/87/323209887.db2.gz PUIOMBLRZFKRIS-VXGQWTEUSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000532208502 323209888 /nfs/dbraw/zinc/20/98/88/323209888.db2.gz PUIOMBLRZFKRIS-VXGQWTEUSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000532215640 323210186 /nfs/dbraw/zinc/21/01/86/323210186.db2.gz ILDHPIRKQAXZGA-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000532215640 323210188 /nfs/dbraw/zinc/21/01/88/323210188.db2.gz ILDHPIRKQAXZGA-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCCC1 ZINC000395660970 323236488 /nfs/dbraw/zinc/23/64/88/323236488.db2.gz RMJXKOVPRADWBY-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000532502854 323271821 /nfs/dbraw/zinc/27/18/21/323271821.db2.gz JSJVYBKWUSZUOR-IJEWVQPXSA-N 2 2 246.398 2.638 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000532502854 323271825 /nfs/dbraw/zinc/27/18/25/323271825.db2.gz JSJVYBKWUSZUOR-IJEWVQPXSA-N 2 2 246.398 2.638 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1 ZINC000532531064 323274342 /nfs/dbraw/zinc/27/43/42/323274342.db2.gz GXDULRVMXGIVKK-LSDHHAIUSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c1 ZINC000532531064 323274345 /nfs/dbraw/zinc/27/43/45/323274345.db2.gz GXDULRVMXGIVKK-LSDHHAIUSA-N 2 2 246.398 2.987 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCC1 ZINC000322618450 323384475 /nfs/dbraw/zinc/38/44/75/323384475.db2.gz FFARXOCCEFSJEA-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCC1 ZINC000322618450 323384478 /nfs/dbraw/zinc/38/44/78/323384478.db2.gz FFARXOCCEFSJEA-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000044353259 323822420 /nfs/dbraw/zinc/82/24/20/323822420.db2.gz IFVRMNIVDLEZGP-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000122332176 324038022 /nfs/dbraw/zinc/03/80/22/324038022.db2.gz IVYBVCXFBLCBFZ-ZFWWWQNUSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1ccccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000122332176 324038026 /nfs/dbraw/zinc/03/80/26/324038026.db2.gz IVYBVCXFBLCBFZ-ZFWWWQNUSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000122331953 324038336 /nfs/dbraw/zinc/03/83/36/324038336.db2.gz IVYBVCXFBLCBFZ-DZGCQCFKSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000122331953 324038338 /nfs/dbraw/zinc/03/83/38/324038338.db2.gz IVYBVCXFBLCBFZ-DZGCQCFKSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000122332432 324039334 /nfs/dbraw/zinc/03/93/34/324039334.db2.gz IVYBVCXFBLCBFZ-UKRRQHHQSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000122332432 324039337 /nfs/dbraw/zinc/03/93/37/324039337.db2.gz IVYBVCXFBLCBFZ-UKRRQHHQSA-N 2 2 244.382 2.710 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000537361158 324066599 /nfs/dbraw/zinc/06/65/99/324066599.db2.gz PEPMOKGMSOTKFP-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000537361158 324066602 /nfs/dbraw/zinc/06/66/02/324066602.db2.gz PEPMOKGMSOTKFP-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc(CCC[NH2+]CC2CC=CC2)c[nH+]1 ZINC000529639522 324368587 /nfs/dbraw/zinc/36/85/87/324368587.db2.gz GPBJBYRFTNMJDC-UHFFFAOYSA-N 2 2 230.355 2.878 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530217679 324534386 /nfs/dbraw/zinc/53/43/86/324534386.db2.gz GWWWSECWFIPBJG-HIFRSBDPSA-N 2 2 244.382 2.930 20 0 BFADLP CC(C)(C)C[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000130892587 325100069 /nfs/dbraw/zinc/10/00/69/325100069.db2.gz QNINZGQTXFKLGE-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)(C)C[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000130892587 325100070 /nfs/dbraw/zinc/10/00/70/325100070.db2.gz QNINZGQTXFKLGE-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)[N@H+](C)C1CC1 ZINC000131026540 325108516 /nfs/dbraw/zinc/10/85/16/325108516.db2.gz ZQBNWNSFXIEKTM-JHJVBQTASA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000131026540 325108517 /nfs/dbraw/zinc/10/85/17/325108517.db2.gz ZQBNWNSFXIEKTM-JHJVBQTASA-N 2 2 238.419 2.883 20 0 BFADLP C[N@H+](CCn1cc[nH+]c1)C1CCC(C)(C)CC1 ZINC000131676813 325177170 /nfs/dbraw/zinc/17/71/70/325177170.db2.gz NIURCYIZBFPTRQ-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP C[N@@H+](CCn1cc[nH+]c1)C1CCC(C)(C)CC1 ZINC000131676813 325177173 /nfs/dbraw/zinc/17/71/73/325177173.db2.gz NIURCYIZBFPTRQ-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000131704688 325178672 /nfs/dbraw/zinc/17/86/72/325178672.db2.gz HAZRIIFTHCUDQT-CQSZACIVSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000131704688 325178675 /nfs/dbraw/zinc/17/86/75/325178675.db2.gz HAZRIIFTHCUDQT-CQSZACIVSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)CC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131758945 325182258 /nfs/dbraw/zinc/18/22/58/325182258.db2.gz OPWZUJZONBWOBX-AWEZNQCLSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)CC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131758945 325182259 /nfs/dbraw/zinc/18/22/59/325182259.db2.gz OPWZUJZONBWOBX-AWEZNQCLSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000132063191 325197022 /nfs/dbraw/zinc/19/70/22/325197022.db2.gz MIBLLIWPZUSSDG-AWEZNQCLSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000132063191 325197025 /nfs/dbraw/zinc/19/70/25/325197025.db2.gz MIBLLIWPZUSSDG-AWEZNQCLSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H](CC[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000545272378 325204383 /nfs/dbraw/zinc/20/43/83/325204383.db2.gz ZCQRCDKGZWOXGG-YCPHGPKFSA-N 2 2 246.398 2.720 20 0 BFADLP C[C@H](CC[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000545272378 325204385 /nfs/dbraw/zinc/20/43/85/325204385.db2.gz ZCQRCDKGZWOXGG-YCPHGPKFSA-N 2 2 246.398 2.720 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](C)[NH+](C)C ZINC000252714666 325692233 /nfs/dbraw/zinc/69/22/33/325692233.db2.gz SNXQOWNGGXZWJN-AVGNSLFASA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000554086595 325705089 /nfs/dbraw/zinc/70/50/89/325705089.db2.gz XXDFBPZWSNZQCI-WMHQRMGPSA-N 2 2 246.398 2.718 20 0 BFADLP CC[N@H+](C)CCNc1[nH+]ccc2c(C)cccc21 ZINC000566148492 326002470 /nfs/dbraw/zinc/00/24/70/326002470.db2.gz CPIVVLLAIXBIGL-UHFFFAOYSA-N 2 2 243.354 2.907 20 0 BFADLP CC[N@@H+](C)CCNc1[nH+]ccc2c(C)cccc21 ZINC000566148492 326002472 /nfs/dbraw/zinc/00/24/72/326002472.db2.gz CPIVVLLAIXBIGL-UHFFFAOYSA-N 2 2 243.354 2.907 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000566415505 326041895 /nfs/dbraw/zinc/04/18/95/326041895.db2.gz BJCKTMHCECSSTL-MCIONIFRSA-N 2 2 249.402 2.719 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000566415505 326041897 /nfs/dbraw/zinc/04/18/97/326041897.db2.gz BJCKTMHCECSSTL-MCIONIFRSA-N 2 2 249.402 2.719 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC1(C)C ZINC000154656571 326153839 /nfs/dbraw/zinc/15/38/39/326153839.db2.gz HMLUDLWRVXRCFP-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCCC1(C)C ZINC000154656571 326153842 /nfs/dbraw/zinc/15/38/42/326153842.db2.gz HMLUDLWRVXRCFP-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1([NH2+]Cc2c[nH+]c(C)n2C)CCCCC1 ZINC000567522451 326210164 /nfs/dbraw/zinc/21/01/64/326210164.db2.gz QUJCTVVCODKQPT-UHFFFAOYSA-N 2 2 235.375 2.931 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000568356910 326348727 /nfs/dbraw/zinc/34/87/27/326348727.db2.gz CVJBEPVJKRVOHO-GFCCVEGCSA-N 2 2 214.397 2.741 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000568356910 326348729 /nfs/dbraw/zinc/34/87/29/326348729.db2.gz CVJBEPVJKRVOHO-GFCCVEGCSA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000569141186 326392939 /nfs/dbraw/zinc/39/29/39/326392939.db2.gz VCPVGSBRHWEZFE-ZNMIVQPWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000569217314 326395446 /nfs/dbraw/zinc/39/54/46/326395446.db2.gz CUVJFSFYLPQGFI-ILXRZTDVSA-N 2 2 230.355 2.711 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1F ZINC000235510535 487975266 /nfs/dbraw/zinc/97/52/66/487975266.db2.gz XEJYNXYGKZZNRG-NWDGAFQWSA-N 2 2 236.334 2.618 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522059 487989447 /nfs/dbraw/zinc/98/94/47/487989447.db2.gz KIQYSXGGMMXLDQ-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000094522059 487989451 /nfs/dbraw/zinc/98/94/51/487989451.db2.gz KIQYSXGGMMXLDQ-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]([C@H](C)C(C)C)C2CC2)n1C ZINC000667470604 488015719 /nfs/dbraw/zinc/01/57/19/488015719.db2.gz DBNGGIWSYTWIID-LLVKDONJSA-N 2 2 235.375 2.737 20 0 BFADLP Cc1[nH+]cc(C[N@H+]([C@H](C)C(C)C)C2CC2)n1C ZINC000667470604 488015724 /nfs/dbraw/zinc/01/57/24/488015724.db2.gz DBNGGIWSYTWIID-LLVKDONJSA-N 2 2 235.375 2.737 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667471546 488017528 /nfs/dbraw/zinc/01/75/28/488017528.db2.gz BNAXIMFHWCEAMV-LBPRGKRZSA-N 2 2 233.359 2.594 20 0 BFADLP CC[C@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667471546 488017531 /nfs/dbraw/zinc/01/75/31/488017531.db2.gz BNAXIMFHWCEAMV-LBPRGKRZSA-N 2 2 233.359 2.594 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)c2ccccc2)n1C ZINC000667482536 488022818 /nfs/dbraw/zinc/02/28/18/488022818.db2.gz HKZOPSRKTYCSLP-LBPRGKRZSA-N 2 2 243.354 2.922 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)c2ccccc2)n1C ZINC000667482536 488022821 /nfs/dbraw/zinc/02/28/21/488022821.db2.gz HKZOPSRKTYCSLP-LBPRGKRZSA-N 2 2 243.354 2.922 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2C2CCCC2)n1C ZINC000667544926 488041817 /nfs/dbraw/zinc/04/18/17/488041817.db2.gz PUCRARCOQLXTOU-HNNXBMFYSA-N 2 2 247.386 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2C2CCCC2)n1C ZINC000667544926 488041820 /nfs/dbraw/zinc/04/18/20/488041820.db2.gz PUCRARCOQLXTOU-HNNXBMFYSA-N 2 2 247.386 2.883 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CC)C1 ZINC000388921656 488063069 /nfs/dbraw/zinc/06/30/69/488063069.db2.gz RUMCJZKNIGSHKL-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CC)C1 ZINC000388921656 488063077 /nfs/dbraw/zinc/06/30/77/488063077.db2.gz RUMCJZKNIGSHKL-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@@H]2C(C)C)n1C ZINC000667642651 488066678 /nfs/dbraw/zinc/06/66/78/488066678.db2.gz GDKXPYVHYDPSHI-CQSZACIVSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@@H]2C(C)C)n1C ZINC000667642651 488066683 /nfs/dbraw/zinc/06/66/83/488066683.db2.gz GDKXPYVHYDPSHI-CQSZACIVSA-N 2 2 235.375 2.739 20 0 BFADLP CC[C@@]1(C)CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667645158 488069036 /nfs/dbraw/zinc/06/90/36/488069036.db2.gz GXOSTBMVXUGMHK-AWEZNQCLSA-N 2 2 235.375 2.741 20 0 BFADLP CC[C@@]1(C)CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667645158 488069039 /nfs/dbraw/zinc/06/90/39/488069039.db2.gz GXOSTBMVXUGMHK-AWEZNQCLSA-N 2 2 235.375 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000389173493 488079953 /nfs/dbraw/zinc/07/99/53/488079953.db2.gz OLDVYYLVXYLZBE-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000389173493 488079957 /nfs/dbraw/zinc/07/99/57/488079957.db2.gz OLDVYYLVXYLZBE-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](CC(C)C)C2)n1C ZINC000667675065 488083365 /nfs/dbraw/zinc/08/33/65/488083365.db2.gz YULDMKQVKKAQOT-CQSZACIVSA-N 2 2 249.402 2.987 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCCC12CC2 ZINC000667779064 488119115 /nfs/dbraw/zinc/11/91/15/488119115.db2.gz WWYJIYOIJDPQFA-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667785295 488120183 /nfs/dbraw/zinc/12/01/83/488120183.db2.gz LIUYHJKVYZBJDH-LJISPDSOSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667785295 488120189 /nfs/dbraw/zinc/12/01/89/488120189.db2.gz LIUYHJKVYZBJDH-LJISPDSOSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@@H+](Cc1coc2ccccc12)CC(C)(C)[NH3+] ZINC000258694431 488128362 /nfs/dbraw/zinc/12/83/62/488128362.db2.gz BPRFUTYSAFEYHX-UHFFFAOYSA-N 2 2 232.327 2.602 20 0 BFADLP C[N@H+](Cc1coc2ccccc12)CC(C)(C)[NH3+] ZINC000258694431 488128358 /nfs/dbraw/zinc/12/83/58/488128358.db2.gz BPRFUTYSAFEYHX-UHFFFAOYSA-N 2 2 232.327 2.602 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000235205977 488133575 /nfs/dbraw/zinc/13/35/75/488133575.db2.gz MDZOGQGEDXGOKD-BXUZGUMPSA-N 2 2 236.334 2.618 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519325 487537899 /nfs/dbraw/zinc/53/78/99/487537899.db2.gz BMADKYLFEGAKOX-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519325 487537903 /nfs/dbraw/zinc/53/79/03/487537903.db2.gz BMADKYLFEGAKOX-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP c1cn(-c2csc(C[NH2+]C3CC=CC3)c2)c[nH+]1 ZINC000680133213 487538332 /nfs/dbraw/zinc/53/83/32/487538332.db2.gz MERVRMCBZKDAHV-UHFFFAOYSA-N 2 2 245.351 2.742 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000086726706 487538347 /nfs/dbraw/zinc/53/83/47/487538347.db2.gz UAHWLGSYGOBKNM-STQMWFEESA-N 2 2 238.762 2.743 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C3CCCC3)C2)n1C ZINC000668244340 487546904 /nfs/dbraw/zinc/54/69/04/487546904.db2.gz YDNDIUOEPLIDPL-AWEZNQCLSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C3CCCC3)C2)n1C ZINC000668244340 487546914 /nfs/dbraw/zinc/54/69/14/487546914.db2.gz YDNDIUOEPLIDPL-AWEZNQCLSA-N 2 2 247.386 2.741 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000393916369 487474762 /nfs/dbraw/zinc/47/47/62/487474762.db2.gz JFKDXYXDYOTNHD-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000393916369 487474764 /nfs/dbraw/zinc/47/47/64/487474764.db2.gz JFKDXYXDYOTNHD-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP Cc1[nH+]c2c(n1Cc1ccc(C)[nH+]c1)CCCC2 ZINC000405549783 487486162 /nfs/dbraw/zinc/48/61/62/487486162.db2.gz AHFFATWTFQPFRS-UHFFFAOYSA-N 2 2 241.338 2.822 20 0 BFADLP CC(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094079547 487512676 /nfs/dbraw/zinc/51/26/76/487512676.db2.gz OCWHKRGUQFCHNF-IUODEOHRSA-N 2 2 232.371 2.823 20 0 BFADLP Cc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1C ZINC000258974095 488144677 /nfs/dbraw/zinc/14/46/77/488144677.db2.gz UJINXHCHILTJPN-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C ZINC000667965046 488170050 /nfs/dbraw/zinc/17/00/50/488170050.db2.gz ZPLHXIRCJDGSSJ-CQDKDKBSSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)n1C ZINC000667965046 488170053 /nfs/dbraw/zinc/17/00/53/488170053.db2.gz ZPLHXIRCJDGSSJ-CQDKDKBSSA-N 2 2 247.386 2.739 20 0 BFADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668047484 488195082 /nfs/dbraw/zinc/19/50/82/488195082.db2.gz CKLAOBQZCTZPRY-FRRDWIJNSA-N 2 2 247.386 2.696 20 0 BFADLP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668047484 488195084 /nfs/dbraw/zinc/19/50/84/488195084.db2.gz CKLAOBQZCTZPRY-FRRDWIJNSA-N 2 2 247.386 2.696 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683693741 488207839 /nfs/dbraw/zinc/20/78/39/488207839.db2.gz CNPAFLGQCSJCGG-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683693741 488207841 /nfs/dbraw/zinc/20/78/41/488207841.db2.gz CNPAFLGQCSJCGG-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000668154891 488211023 /nfs/dbraw/zinc/21/10/23/488211023.db2.gz ZJYZWCNSWAZVCB-NUEKZKHPSA-N 2 2 246.398 2.862 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668172413 488214020 /nfs/dbraw/zinc/21/40/20/488214020.db2.gz NDNUCJWWFQTKFY-VXGBXAGGSA-N 2 2 233.359 2.592 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668172413 488214024 /nfs/dbraw/zinc/21/40/24/488214024.db2.gz NDNUCJWWFQTKFY-VXGBXAGGSA-N 2 2 233.359 2.592 20 0 BFADLP CCC(CC)[N@H+](CC)Cc1c[nH+]c(C)n1C ZINC000668176506 488215016 /nfs/dbraw/zinc/21/50/16/488215016.db2.gz XTBHWLDXFGCERQ-UHFFFAOYSA-N 2 2 223.364 2.739 20 0 BFADLP CCC(CC)[N@@H+](CC)Cc1c[nH+]c(C)n1C ZINC000668176506 488215018 /nfs/dbraw/zinc/21/50/18/488215018.db2.gz XTBHWLDXFGCERQ-UHFFFAOYSA-N 2 2 223.364 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)n1C ZINC000668196760 488220875 /nfs/dbraw/zinc/22/08/75/488220875.db2.gz WAZOAIVKGHTCQS-KBPBESRZSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)n1C ZINC000668196760 488220877 /nfs/dbraw/zinc/22/08/77/488220877.db2.gz WAZOAIVKGHTCQS-KBPBESRZSA-N 2 2 247.386 2.739 20 0 BFADLP C(C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CCC1 ZINC000398676974 488222746 /nfs/dbraw/zinc/22/27/46/488222746.db2.gz VSIATYRVRYSYKB-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)C1CCC1 ZINC000398676974 488222749 /nfs/dbraw/zinc/22/27/49/488222749.db2.gz VSIATYRVRYSYKB-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000398676975 488222780 /nfs/dbraw/zinc/22/27/80/488222780.db2.gz VSIATYRVRYSYKB-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP C(C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000398676975 488222782 /nfs/dbraw/zinc/22/27/82/488222782.db2.gz VSIATYRVRYSYKB-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1occc1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000678304405 488239158 /nfs/dbraw/zinc/23/91/58/488239158.db2.gz YRCQLGZXZSYQKS-UHFFFAOYSA-N 2 2 241.294 2.526 20 0 BFADLP CCc1ccc[nH+]c1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679151987 488313825 /nfs/dbraw/zinc/31/38/25/488313825.db2.gz WYRVVUPLQTXSED-WCQYABFASA-N 2 2 233.359 2.539 20 0 BFADLP C[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1F ZINC000679224802 488321319 /nfs/dbraw/zinc/32/13/19/488321319.db2.gz PBZREFVSSJKKCX-HZSPNIEDSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1F ZINC000679224802 488321321 /nfs/dbraw/zinc/32/13/21/488321321.db2.gz PBZREFVSSJKKCX-HZSPNIEDSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1F ZINC000679224802 488321322 /nfs/dbraw/zinc/32/13/22/488321322.db2.gz PBZREFVSSJKKCX-HZSPNIEDSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1F ZINC000679224802 488321324 /nfs/dbraw/zinc/32/13/24/488321324.db2.gz PBZREFVSSJKKCX-HZSPNIEDSA-N 2 2 242.382 2.541 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000211727726 488323157 /nfs/dbraw/zinc/32/31/57/488323157.db2.gz RJVREUPLXTWPBO-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CC2 ZINC000211727726 488323160 /nfs/dbraw/zinc/32/31/60/488323160.db2.gz RJVREUPLXTWPBO-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000684676939 488338493 /nfs/dbraw/zinc/33/84/93/488338493.db2.gz KPZCSQMUWUXCTL-XGUBFFRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000684676939 488338496 /nfs/dbraw/zinc/33/84/96/488338496.db2.gz KPZCSQMUWUXCTL-XGUBFFRZSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000679575317 488358733 /nfs/dbraw/zinc/35/87/33/488358733.db2.gz QNVSYIUCLAHICL-RRFJBIMHSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C2CC2)C1 ZINC000679575317 488358734 /nfs/dbraw/zinc/35/87/34/488358734.db2.gz QNVSYIUCLAHICL-RRFJBIMHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313286815 490285828 /nfs/dbraw/zinc/28/58/28/490285828.db2.gz VSKSSZWTXUEOSS-OCCSQVGLSA-N 2 2 249.402 2.767 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000130410218 490386900 /nfs/dbraw/zinc/38/69/00/490386900.db2.gz UUBLXZAOOGYURH-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000130410218 490386905 /nfs/dbraw/zinc/38/69/05/490386905.db2.gz UUBLXZAOOGYURH-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H](C)[NH+](C)C ZINC000401582448 490396463 /nfs/dbraw/zinc/39/64/63/490396463.db2.gz KXJNMBVPUKCPTO-MCIONIFRSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)[nH+]1 ZINC000226832692 491052017 /nfs/dbraw/zinc/05/20/17/491052017.db2.gz GVOHHRKQKXBGMP-WCQYABFASA-N 2 2 233.359 2.593 20 0 BFADLP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)[nH+]1 ZINC000226832692 491052019 /nfs/dbraw/zinc/05/20/19/491052019.db2.gz GVOHHRKQKXBGMP-WCQYABFASA-N 2 2 233.359 2.593 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000094077229 491074802 /nfs/dbraw/zinc/07/48/02/491074802.db2.gz VPLHLVUWWNHYTM-IUODEOHRSA-N 2 2 246.398 2.997 20 0 BFADLP CC(C)C(C[NH2+][C@H]1CCC[N@H+](C)C1)C(C)C ZINC000229530300 491115043 /nfs/dbraw/zinc/11/50/43/491115043.db2.gz PZTZAZQJBAHZJR-ZDUSSCGKSA-N 2 2 226.408 2.598 20 0 BFADLP CC(C)C(C[NH2+][C@H]1CCC[N@@H+](C)C1)C(C)C ZINC000229530300 491115044 /nfs/dbraw/zinc/11/50/44/491115044.db2.gz PZTZAZQJBAHZJR-ZDUSSCGKSA-N 2 2 226.408 2.598 20 0 BFADLP C[N@@H+](Cc1ccc(C2CC2)cc1)CC1C[NH+](C)C1 ZINC000668539482 491127427 /nfs/dbraw/zinc/12/74/27/491127427.db2.gz XNTHRYBQDBFSJE-UHFFFAOYSA-N 2 2 244.382 2.557 20 0 BFADLP C[N@H+](Cc1ccc(C2CC2)cc1)CC1C[NH+](C)C1 ZINC000668539482 491127428 /nfs/dbraw/zinc/12/74/28/491127428.db2.gz XNTHRYBQDBFSJE-UHFFFAOYSA-N 2 2 244.382 2.557 20 0 BFADLP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000494444510 533783661 /nfs/dbraw/zinc/78/36/61/533783661.db2.gz MIWZOXNBELUZOF-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000494444510 533783674 /nfs/dbraw/zinc/78/36/74/533783674.db2.gz MIWZOXNBELUZOF-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000494444512 533784651 /nfs/dbraw/zinc/78/46/51/533784651.db2.gz MIWZOXNBELUZOF-UMVBOHGHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC1CCCCC1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000494444512 533784658 /nfs/dbraw/zinc/78/46/58/533784658.db2.gz MIWZOXNBELUZOF-UMVBOHGHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]Cc1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000400355585 533934246 /nfs/dbraw/zinc/93/42/46/533934246.db2.gz OKTOKJAMVKMUAD-GXFFZTMASA-N 2 2 238.762 2.570 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000249843118 535540935 /nfs/dbraw/zinc/54/09/35/535540935.db2.gz UHHYTOGAMWJWPP-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCCNc2cccc[nH+]2)[C@H]1C ZINC000495051582 533945394 /nfs/dbraw/zinc/94/53/94/533945394.db2.gz ODZOZQRPVZQDNB-AGIUHOORSA-N 2 2 233.359 2.518 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)[C@@H]1C ZINC000495078140 533946682 /nfs/dbraw/zinc/94/66/82/533946682.db2.gz HYTNFPKGGARKFC-RYPNDVFKSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C(C[NH2+]C[C@@H](C)[N@H+](C)C1CC1)C(C)C ZINC000306083518 527587603 /nfs/dbraw/zinc/58/76/03/527587603.db2.gz FHEJSNFLOIBISM-CYBMUJFWSA-N 2 2 240.435 2.987 20 0 BFADLP CC(C)C(C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1)C(C)C ZINC000306083518 527587604 /nfs/dbraw/zinc/58/76/04/527587604.db2.gz FHEJSNFLOIBISM-CYBMUJFWSA-N 2 2 240.435 2.987 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]CC[NH+]1CCCC1 ZINC000166445526 528075342 /nfs/dbraw/zinc/07/53/42/528075342.db2.gz SCRZMZPORUAXBJ-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[N@H+](C[C@H](C)CC(C)C)[C@H]1CC[NH2+]C1 ZINC000300986010 528124759 /nfs/dbraw/zinc/12/47/59/528124759.db2.gz UXBKLNIXKQPHHA-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+](C[C@H](C)CC(C)C)[C@H]1CC[NH2+]C1 ZINC000300986010 528124767 /nfs/dbraw/zinc/12/47/67/528124767.db2.gz UXBKLNIXKQPHHA-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@H+](C[C@H](C)CC(C)C)[C@@H]1CC[NH2+]C1 ZINC000300986012 528125191 /nfs/dbraw/zinc/12/51/91/528125191.db2.gz UXBKLNIXKQPHHA-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+](C[C@H](C)CC(C)C)[C@@H]1CC[NH2+]C1 ZINC000300986012 528125197 /nfs/dbraw/zinc/12/51/97/528125197.db2.gz UXBKLNIXKQPHHA-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000487275560 529003911 /nfs/dbraw/zinc/00/39/11/529003911.db2.gz KQDSGUQWQDFSPQ-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000487275560 529003916 /nfs/dbraw/zinc/00/39/16/529003916.db2.gz KQDSGUQWQDFSPQ-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000495079688 529274014 /nfs/dbraw/zinc/27/40/14/529274014.db2.gz OXEBXPQHQPRWAX-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000495079688 529274016 /nfs/dbraw/zinc/27/40/16/529274016.db2.gz OXEBXPQHQPRWAX-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000495079687 529274142 /nfs/dbraw/zinc/27/41/42/529274142.db2.gz OXEBXPQHQPRWAX-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000495079687 529274143 /nfs/dbraw/zinc/27/41/43/529274143.db2.gz OXEBXPQHQPRWAX-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000494449021 529305262 /nfs/dbraw/zinc/30/52/62/529305262.db2.gz AWJYUZVCPSKIKE-MGPQQGTHSA-N 2 2 247.386 2.756 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081638725 535011478 /nfs/dbraw/zinc/01/14/78/535011478.db2.gz ZFSNWVGXFXNINH-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081638725 535011486 /nfs/dbraw/zinc/01/14/86/535011486.db2.gz ZFSNWVGXFXNINH-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(CC)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348838137 535083277 /nfs/dbraw/zinc/08/32/77/535083277.db2.gz MSZOVVZBTNRSCO-UHFFFAOYSA-N 2 2 244.342 2.927 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000251287755 535610771 /nfs/dbraw/zinc/61/07/71/535610771.db2.gz HCZKACZFGKYCJT-AVGNSLFASA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000251287755 535610774 /nfs/dbraw/zinc/61/07/74/535610774.db2.gz HCZKACZFGKYCJT-AVGNSLFASA-N 2 2 212.381 2.624 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000070762174 536094256 /nfs/dbraw/zinc/09/42/56/536094256.db2.gz LUQOGRZGTRRCRA-UONOGXRCSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000226711483 536362080 /nfs/dbraw/zinc/36/20/80/536362080.db2.gz VQWCPFAJSJYSSW-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000226711483 536362081 /nfs/dbraw/zinc/36/20/81/536362081.db2.gz VQWCPFAJSJYSSW-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP C[N@H+](Cc1ccc(F)c(Cl)c1)CC(C)(C)[NH3+] ZINC000258705769 536471018 /nfs/dbraw/zinc/47/10/18/536471018.db2.gz CMGKGTKNZGDYHL-UHFFFAOYSA-N 2 2 244.741 2.648 20 0 BFADLP C[N@@H+](Cc1ccc(F)c(Cl)c1)CC(C)(C)[NH3+] ZINC000258705769 536471021 /nfs/dbraw/zinc/47/10/21/536471021.db2.gz CMGKGTKNZGDYHL-UHFFFAOYSA-N 2 2 244.741 2.648 20 0 BFADLP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000348257815 566266816 /nfs/dbraw/zinc/26/68/16/566266816.db2.gz SLYHPJBTKHINHP-JYJNAYRXSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000348257815 566266824 /nfs/dbraw/zinc/26/68/24/566266824.db2.gz SLYHPJBTKHINHP-JYJNAYRXSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000113412979 588838844 /nfs/dbraw/zinc/83/88/44/588838844.db2.gz TWZADAYAONCGKP-GFCCVEGCSA-N 2 2 229.327 2.877 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850493467 582921620 /nfs/dbraw/zinc/92/16/20/582921620.db2.gz IZNNXSNXHSESSN-MELADBBJSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000850493467 582921623 /nfs/dbraw/zinc/92/16/23/582921623.db2.gz IZNNXSNXHSESSN-MELADBBJSA-N 2 2 238.419 2.883 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(C)ccc32)C1 ZINC000840889515 582960045 /nfs/dbraw/zinc/96/00/45/582960045.db2.gz NCATWQYDXHZVJT-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(C)ccc32)C1 ZINC000840889515 582960046 /nfs/dbraw/zinc/96/00/46/582960046.db2.gz NCATWQYDXHZVJT-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP CCCSC[C@H](C)[NH2+]CC[N@H+](CC)C1CC1 ZINC000892793754 582983557 /nfs/dbraw/zinc/98/35/57/582983557.db2.gz UYQRWEZVZIEVAN-LBPRGKRZSA-N 2 2 244.448 2.592 20 0 BFADLP CCCSC[C@H](C)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000892793754 582983558 /nfs/dbraw/zinc/98/35/58/582983558.db2.gz UYQRWEZVZIEVAN-LBPRGKRZSA-N 2 2 244.448 2.592 20 0 BFADLP CCC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880131164 583471095 /nfs/dbraw/zinc/47/10/95/583471095.db2.gz HRVUYOBGTRTPFL-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880131164 583471099 /nfs/dbraw/zinc/47/10/99/583471099.db2.gz HRVUYOBGTRTPFL-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880131164 583471103 /nfs/dbraw/zinc/47/11/03/583471103.db2.gz HRVUYOBGTRTPFL-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880131164 583471106 /nfs/dbraw/zinc/47/11/06/583471106.db2.gz HRVUYOBGTRTPFL-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP Fc1cccc2c1CCC[C@H]2[NH2+]Cc1c[nH+]c[nH]1 ZINC000894868258 583538246 /nfs/dbraw/zinc/53/82/46/583538246.db2.gz YNEOJBMPEYAOGQ-CQSZACIVSA-N 2 2 245.301 2.716 20 0 BFADLP CC(C)=CC[N@@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068567 583578901 /nfs/dbraw/zinc/57/89/01/583578901.db2.gz FZQGGOADASJGAQ-UHFFFAOYSA-N 2 2 231.343 2.613 20 0 BFADLP CC(C)=CC[N@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068567 583578902 /nfs/dbraw/zinc/57/89/02/583578902.db2.gz FZQGGOADASJGAQ-UHFFFAOYSA-N 2 2 231.343 2.613 20 0 BFADLP CC[N@@H+]1CC[C@@H]1C[NH2+]C1CC2(C1)CCCCC2 ZINC000895670087 583706216 /nfs/dbraw/zinc/70/62/16/583706216.db2.gz BPQORTLDNMVRAL-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CC[C@@H]1C[NH2+]C1CC2(C1)CCCCC2 ZINC000895670087 583706217 /nfs/dbraw/zinc/70/62/17/583706217.db2.gz BPQORTLDNMVRAL-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000896552810 583811131 /nfs/dbraw/zinc/81/11/31/583811131.db2.gz JAUVCEHOFVMZSD-GDBMZVCRSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1cc(C)cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000896552810 583811132 /nfs/dbraw/zinc/81/11/32/583811132.db2.gz JAUVCEHOFVMZSD-GDBMZVCRSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000896555094 583811880 /nfs/dbraw/zinc/81/18/80/583811880.db2.gz YFIIOGRYXMPEOF-FMKPAKJESA-N 2 2 246.398 2.781 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000896555094 583811881 /nfs/dbraw/zinc/81/18/81/583811881.db2.gz YFIIOGRYXMPEOF-FMKPAKJESA-N 2 2 246.398 2.781 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000898314534 584111228 /nfs/dbraw/zinc/11/12/28/584111228.db2.gz YYORHPMICKBQMF-WOPDTQHZSA-N 2 2 248.361 2.596 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434729 584595846 /nfs/dbraw/zinc/59/58/46/584595846.db2.gz OKERKHXEHLZWIH-IUIKQTSFSA-N 2 2 244.382 2.779 20 0 BFADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000902435485 584596768 /nfs/dbraw/zinc/59/67/68/584596768.db2.gz UBXTZOVWPOKKTH-RBSFLKMASA-N 2 2 242.366 2.533 20 0 BFADLP CC[C@H]1CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438882 584597324 /nfs/dbraw/zinc/59/73/24/584597324.db2.gz OAVWKESJVCLLMS-AEAUEXCSSA-N 2 2 244.382 2.779 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438400 584597353 /nfs/dbraw/zinc/59/73/53/584597353.db2.gz NMSHKXGEKIMRCB-HFBAOOFYSA-N 2 2 244.382 2.779 20 0 BFADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCCCC1 ZINC000902441136 584597919 /nfs/dbraw/zinc/59/79/19/584597919.db2.gz CCVXYTVUWUKYSP-HUUCEWRRSA-N 2 2 230.355 2.533 20 0 BFADLP C[C@H]1CCCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902443118 584598577 /nfs/dbraw/zinc/59/85/77/584598577.db2.gz KDHLXWBTUFFJIH-DANNLKNASA-N 2 2 244.382 2.779 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902445144 584598891 /nfs/dbraw/zinc/59/88/91/584598891.db2.gz KLBOMDBPDOSZQI-GJZGRUSLSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)c2ccccc21 ZINC000902445003 584599210 /nfs/dbraw/zinc/59/92/10/584599210.db2.gz PEIXWZFFRCHDEL-BYCMXARLSA-N 2 2 244.382 2.823 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000902445226 584599224 /nfs/dbraw/zinc/59/92/24/584599224.db2.gz PGDLFQGNFROHIL-VXGBXAGGSA-N 2 2 238.400 2.787 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)CC2 ZINC000902446057 584600623 /nfs/dbraw/zinc/60/06/23/584600623.db2.gz OEELFHBLXKVQGX-GJZGRUSLSA-N 2 2 244.382 2.570 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902446852 584603989 /nfs/dbraw/zinc/60/39/89/584603989.db2.gz VOTSFYBVTHRRBC-RBDSIQFVSA-N 2 2 232.371 2.635 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000902447007 584604369 /nfs/dbraw/zinc/60/43/69/584604369.db2.gz PWYWBBFVEPFCSP-TZMCWYRMSA-N 2 2 232.371 2.644 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1F ZINC000902470686 584616409 /nfs/dbraw/zinc/61/64/09/584616409.db2.gz ZYWWMHVBKKLGFY-CJYSPXJISA-N 2 2 248.345 2.759 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1 ZINC000902471318 584616550 /nfs/dbraw/zinc/61/65/50/584616550.db2.gz MWAGXKDVXVKPIQ-JJXSEGSLSA-N 2 2 244.382 2.866 20 0 BFADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482669 584623647 /nfs/dbraw/zinc/62/36/47/584623647.db2.gz MSSJDTVLSXBUCX-GXTWGEPZSA-N 2 2 248.370 2.779 20 0 BFADLP Cc1cncc([C@@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)c1 ZINC000902483047 584624233 /nfs/dbraw/zinc/62/42/33/584624233.db2.gz OSCUETUIWHPNIS-UKRRQHHQSA-N 2 2 247.386 2.573 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000903162393 584731496 /nfs/dbraw/zinc/73/14/96/584731496.db2.gz FAIWOXQMZOWCHY-BFJAYTPKSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000903162393 584731497 /nfs/dbraw/zinc/73/14/97/584731497.db2.gz FAIWOXQMZOWCHY-BFJAYTPKSA-N 2 2 248.414 2.639 20 0 BFADLP CC(C)[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C1CC1 ZINC000903201738 584735699 /nfs/dbraw/zinc/73/56/99/584735699.db2.gz MBZDDLBHZIHVPF-HNNXBMFYSA-N 2 2 247.386 2.672 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903304182 584742807 /nfs/dbraw/zinc/74/28/07/584742807.db2.gz ZNTBPFAWNTVXPP-BFHYXJOUSA-N 2 2 224.392 2.804 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903304182 584742808 /nfs/dbraw/zinc/74/28/08/584742808.db2.gz ZNTBPFAWNTVXPP-BFHYXJOUSA-N 2 2 224.392 2.804 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)CC[N@@H+]1C ZINC000903299687 584744070 /nfs/dbraw/zinc/74/40/70/584744070.db2.gz CUFYMSFHMQGGQZ-SYQHCUMBSA-N 2 2 242.382 2.587 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)CC[N@H+]1C ZINC000903299687 584744071 /nfs/dbraw/zinc/74/40/71/584744071.db2.gz CUFYMSFHMQGGQZ-SYQHCUMBSA-N 2 2 242.382 2.587 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H]1C)c1cccnc1 ZINC000903301650 584744523 /nfs/dbraw/zinc/74/45/23/584744523.db2.gz TZKCZHAVYYVKOU-SNPRPXQTSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)c1cccnc1 ZINC000903301650 584744524 /nfs/dbraw/zinc/74/45/24/584744524.db2.gz TZKCZHAVYYVKOU-SNPRPXQTSA-N 2 2 247.386 2.605 20 0 BFADLP CCCCC1([NH2+][C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000903311882 584748077 /nfs/dbraw/zinc/74/80/77/584748077.db2.gz SAMYXJHNROGHHS-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP CCCCC1([NH2+][C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000903311882 584748079 /nfs/dbraw/zinc/74/80/79/584748079.db2.gz SAMYXJHNROGHHS-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000903314526 584748418 /nfs/dbraw/zinc/74/84/18/584748418.db2.gz AEQIZJNCWGCEMF-DGXTUMSLSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000903314526 584748420 /nfs/dbraw/zinc/74/84/20/584748420.db2.gz AEQIZJNCWGCEMF-DGXTUMSLSA-N 2 2 248.414 2.782 20 0 BFADLP c1csc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903425916 584761014 /nfs/dbraw/zinc/76/10/14/584761014.db2.gz AIEURMWDTNNAMB-NEPJUHHUSA-N 2 2 236.384 2.637 20 0 BFADLP c1csc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903425916 584761015 /nfs/dbraw/zinc/76/10/15/584761015.db2.gz AIEURMWDTNNAMB-NEPJUHHUSA-N 2 2 236.384 2.637 20 0 BFADLP CCSc1ccccc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000903425246 584761138 /nfs/dbraw/zinc/76/11/38/584761138.db2.gz YIWWGXCAYWGNAD-LLVKDONJSA-N 2 2 238.400 2.578 20 0 BFADLP CCSc1ccccc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000903425246 584761139 /nfs/dbraw/zinc/76/11/39/584761139.db2.gz YIWWGXCAYWGNAD-LLVKDONJSA-N 2 2 238.400 2.578 20 0 BFADLP C(C1CCC1)[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903464153 584767654 /nfs/dbraw/zinc/76/76/54/584767654.db2.gz BPGILJAEMHBZSI-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCC1)[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903464153 584767655 /nfs/dbraw/zinc/76/76/55/584767655.db2.gz BPGILJAEMHBZSI-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP CCSc1ccccc1C[N@H+](CC)CC[NH3+] ZINC000903472587 584775835 /nfs/dbraw/zinc/77/58/35/584775835.db2.gz SPGKIGIUEYYGEN-UHFFFAOYSA-N 2 2 238.400 2.579 20 0 BFADLP CCSc1ccccc1C[N@@H+](CC)CC[NH3+] ZINC000903472587 584775837 /nfs/dbraw/zinc/77/58/37/584775837.db2.gz SPGKIGIUEYYGEN-UHFFFAOYSA-N 2 2 238.400 2.579 20 0 BFADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1ccccc1F ZINC000903795077 584799095 /nfs/dbraw/zinc/79/90/95/584799095.db2.gz IGLUATUHRCRUQO-ZFWWWQNUSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2Cc1ccccc1F ZINC000903795077 584799096 /nfs/dbraw/zinc/79/90/96/584799096.db2.gz IGLUATUHRCRUQO-ZFWWWQNUSA-N 2 2 248.345 2.529 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000903960724 584828484 /nfs/dbraw/zinc/82/84/84/584828484.db2.gz WVZBGLNNGAUDCD-IUODEOHRSA-N 2 2 232.371 2.508 20 0 BFADLP Cc1cc(N[C@@H](C)C[C@@H]2CCC[NH2+]2)c[nH+]c1C ZINC000903947706 584829458 /nfs/dbraw/zinc/82/94/58/584829458.db2.gz FVACEJDUKIGLLV-AAEUAGOBSA-N 2 2 233.359 2.641 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949733 584830367 /nfs/dbraw/zinc/83/03/67/584830367.db2.gz DLXXMSWGZMVWMD-NWDGAFQWSA-N 2 2 233.359 2.580 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950237 584830690 /nfs/dbraw/zinc/83/06/90/584830690.db2.gz KOCPYDMKXWDSCU-YPMHNXCESA-N 2 2 233.359 2.722 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)[C@H]1C ZINC000903951307 584830902 /nfs/dbraw/zinc/83/09/02/584830902.db2.gz VPMDWHUBQCXHCI-SUNKGSAMSA-N 2 2 233.359 2.578 20 0 BFADLP CC[C@H]1CCC[C@H](C[NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950984 584830954 /nfs/dbraw/zinc/83/09/54/584830954.db2.gz UWJPNTAODNXWBD-STQMWFEESA-N 2 2 247.386 2.970 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904354290 584870123 /nfs/dbraw/zinc/87/01/23/584870123.db2.gz DOQYINJEPXHGQW-HTQZYQBOSA-N 2 2 246.276 2.589 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc(C(F)F)c(F)c1)[C@H](C)[NH3+] ZINC000904354291 584870195 /nfs/dbraw/zinc/87/01/95/584870195.db2.gz DOQYINJEPXHGQW-JGVFFNPUSA-N 2 2 246.276 2.589 20 0 BFADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(F)CC1 ZINC000904385129 584877515 /nfs/dbraw/zinc/87/75/15/584877515.db2.gz TTWDVIJXEGXYJC-LBPRGKRZSA-N 2 2 230.371 2.574 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000155913587 585017606 /nfs/dbraw/zinc/01/76/06/585017606.db2.gz DADBFPVLMSWDFH-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000155913587 585017607 /nfs/dbraw/zinc/01/76/07/585017607.db2.gz DADBFPVLMSWDFH-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+]C1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC000838910068 585077954 /nfs/dbraw/zinc/07/79/54/585077954.db2.gz ZKDWPXVYMAGMLQ-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/Cl)C[C@@H]1C ZINC000749114209 585199616 /nfs/dbraw/zinc/19/96/16/585199616.db2.gz ARQXHAHWIXHMNY-YILIYONBSA-N 2 2 230.783 2.544 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/Cl)C[C@@H]1C ZINC000749114209 585199617 /nfs/dbraw/zinc/19/96/17/585199617.db2.gz ARQXHAHWIXHMNY-YILIYONBSA-N 2 2 230.783 2.544 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/Cl)C[C@@H]1C ZINC000749114209 585199618 /nfs/dbraw/zinc/19/96/18/585199618.db2.gz ARQXHAHWIXHMNY-YILIYONBSA-N 2 2 230.783 2.544 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/Cl)C[C@@H]1C ZINC000749114209 585199619 /nfs/dbraw/zinc/19/96/19/585199619.db2.gz ARQXHAHWIXHMNY-YILIYONBSA-N 2 2 230.783 2.544 20 0 BFADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000756102391 585314209 /nfs/dbraw/zinc/31/42/09/585314209.db2.gz QFXRGOWJVOMTLS-INIZCTEOSA-N 2 2 246.398 2.646 20 0 BFADLP CC(C)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000756102391 585314210 /nfs/dbraw/zinc/31/42/10/585314210.db2.gz QFXRGOWJVOMTLS-INIZCTEOSA-N 2 2 246.398 2.646 20 0 BFADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCF)C1 ZINC000759341744 585369120 /nfs/dbraw/zinc/36/91/20/585369120.db2.gz KVOIJSBQJVULSX-KBPBESRZSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCF)C1 ZINC000759341744 585369121 /nfs/dbraw/zinc/36/91/21/585369121.db2.gz KVOIJSBQJVULSX-KBPBESRZSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCF)C1 ZINC000759341744 585369122 /nfs/dbraw/zinc/36/91/22/585369122.db2.gz KVOIJSBQJVULSX-KBPBESRZSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCF)C1 ZINC000759341744 585369123 /nfs/dbraw/zinc/36/91/23/585369123.db2.gz KVOIJSBQJVULSX-KBPBESRZSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000806143589 585464821 /nfs/dbraw/zinc/46/48/21/585464821.db2.gz VVYKPXNNPDGVFL-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000806143589 585464822 /nfs/dbraw/zinc/46/48/22/585464822.db2.gz VVYKPXNNPDGVFL-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000765769427 585492553 /nfs/dbraw/zinc/49/25/53/585492553.db2.gz UWDGDCVEOWUNGY-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000765769427 585492554 /nfs/dbraw/zinc/49/25/54/585492554.db2.gz UWDGDCVEOWUNGY-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000765769430 585492603 /nfs/dbraw/zinc/49/26/03/585492603.db2.gz UWDGDCVEOWUNGY-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000765769430 585492604 /nfs/dbraw/zinc/49/26/04/585492604.db2.gz UWDGDCVEOWUNGY-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2ccccc21 ZINC000766272948 585500123 /nfs/dbraw/zinc/50/01/23/585500123.db2.gz MBKGOWBSAGGVSP-CZUORRHYSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2ccccc21 ZINC000766272948 585500124 /nfs/dbraw/zinc/50/01/24/585500124.db2.gz MBKGOWBSAGGVSP-CZUORRHYSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1cc(C[NH2+]CCCCn2cc[nH+]c2)c(C)o1 ZINC000767351270 585517315 /nfs/dbraw/zinc/51/73/15/585517315.db2.gz ZUGWWIHKMBWDLH-UHFFFAOYSA-N 2 2 247.342 2.663 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000775047851 585670738 /nfs/dbraw/zinc/67/07/38/585670738.db2.gz DYLPAMAZLJWTMG-CABCVRRESA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000775047851 585670739 /nfs/dbraw/zinc/67/07/39/585670739.db2.gz DYLPAMAZLJWTMG-CABCVRRESA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@](C)([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000775387709 585677057 /nfs/dbraw/zinc/67/70/57/585677057.db2.gz LPHBFPMETFBFFM-HNNXBMFYSA-N 2 2 243.354 2.798 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000783227069 585831473 /nfs/dbraw/zinc/83/14/73/585831473.db2.gz SMMBCCFLOKOLCL-VXGBXAGGSA-N 2 2 243.354 2.884 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000783226160 585831499 /nfs/dbraw/zinc/83/14/99/585831499.db2.gz YTOAJVYZWSYWEE-FVQBIDKESA-N 2 2 246.398 2.547 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000788986922 585932872 /nfs/dbraw/zinc/93/28/72/585932872.db2.gz IAQVDHCRGFMYEF-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC12CCCC2 ZINC000788986922 585932873 /nfs/dbraw/zinc/93/28/73/585932873.db2.gz IAQVDHCRGFMYEF-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000788986924 585932889 /nfs/dbraw/zinc/93/28/89/585932889.db2.gz IAQVDHCRGFMYEF-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000788986924 585932890 /nfs/dbraw/zinc/93/28/90/585932890.db2.gz IAQVDHCRGFMYEF-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@@H]2CCC=CO2)c[nH+]1 ZINC000793152561 586011733 /nfs/dbraw/zinc/01/17/33/586011733.db2.gz ICTYMUWCTUVZKE-HNNXBMFYSA-N 2 2 246.354 2.605 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1CC(C2CC2)C1 ZINC000812776109 586584038 /nfs/dbraw/zinc/58/40/38/586584038.db2.gz RNHSQIZOZDKHLQ-UHFFFAOYSA-N 2 2 230.355 2.664 20 0 BFADLP CC1=CC[C@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC000816537195 586739129 /nfs/dbraw/zinc/73/91/29/586739129.db2.gz WONPNWUQTCYCNW-GJZGRUSLSA-N 2 2 236.403 2.949 20 0 BFADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(SC(F)F)cc1 ZINC000817934258 586842990 /nfs/dbraw/zinc/84/29/90/586842990.db2.gz FBEUVAWHRVVDKX-MRVPVSSYSA-N 2 2 246.326 2.611 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)[NH+](C)C ZINC000824988299 587297174 /nfs/dbraw/zinc/29/71/74/587297174.db2.gz JCMJTGFLOVZTOV-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCCC3(CCCC3)C2)n1C ZINC000825633751 587328285 /nfs/dbraw/zinc/32/82/85/587328285.db2.gz DEAZKDQLHJJQBL-UHFFFAOYSA-N 2 2 247.386 2.885 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCCC3(CCCC3)C2)n1C ZINC000825633751 587328286 /nfs/dbraw/zinc/32/82/86/587328286.db2.gz DEAZKDQLHJJQBL-UHFFFAOYSA-N 2 2 247.386 2.885 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccncc1 ZINC000834606990 587760697 /nfs/dbraw/zinc/76/06/97/587760697.db2.gz MZWAOGXBRBYGCT-UKRRQHHQSA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccncc1 ZINC000834606990 587760698 /nfs/dbraw/zinc/76/06/98/587760698.db2.gz MZWAOGXBRBYGCT-UKRRQHHQSA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccncc1 ZINC000834606847 587760710 /nfs/dbraw/zinc/76/07/10/587760710.db2.gz MZWAOGXBRBYGCT-DZGCQCFKSA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccncc1 ZINC000834606847 587760711 /nfs/dbraw/zinc/76/07/11/587760711.db2.gz MZWAOGXBRBYGCT-DZGCQCFKSA-N 2 2 247.386 2.607 20 0 BFADLP CCC1C[NH+](CCCc2c[nH+]ccc2C)C1 ZINC000835074617 587780331 /nfs/dbraw/zinc/78/03/31/587780331.db2.gz KPYZVAUMEGSQDN-UHFFFAOYSA-N 2 2 218.344 2.664 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000842684765 588052383 /nfs/dbraw/zinc/05/23/83/588052383.db2.gz KQUMZNRKEGTAMY-NSHDSACASA-N 2 2 246.345 2.638 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000842684765 588052385 /nfs/dbraw/zinc/05/23/85/588052385.db2.gz KQUMZNRKEGTAMY-NSHDSACASA-N 2 2 246.345 2.638 20 0 BFADLP CC[C@@](C)([NH2+]CCCCCC[NH3+])C(F)(F)F ZINC000846221744 588261143 /nfs/dbraw/zinc/26/11/43/588261143.db2.gz NDBUFHZHXIXZIR-SNVBAGLBSA-N 2 2 240.313 2.826 20 0 BFADLP CC(C)c1ccccc1C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000848533226 588393780 /nfs/dbraw/zinc/39/37/80/588393780.db2.gz IJRDXNYBZZKEAB-AWEZNQCLSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000848533226 588393781 /nfs/dbraw/zinc/39/37/81/588393781.db2.gz IJRDXNYBZZKEAB-AWEZNQCLSA-N 2 2 232.371 2.604 20 0 BFADLP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848568226 588398017 /nfs/dbraw/zinc/39/80/17/588398017.db2.gz BSNKKQQHVYZXQV-LVQVYYBASA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@H]1CC[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848568226 588398019 /nfs/dbraw/zinc/39/80/19/588398019.db2.gz BSNKKQQHVYZXQV-LVQVYYBASA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCC1 ZINC000848575241 588398970 /nfs/dbraw/zinc/39/89/70/588398970.db2.gz MUNIQHXFOQRPIY-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCC1 ZINC000848575241 588398972 /nfs/dbraw/zinc/39/89/72/588398972.db2.gz MUNIQHXFOQRPIY-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)(C)C(F)F ZINC000850438517 588546419 /nfs/dbraw/zinc/54/64/19/588546419.db2.gz GRJCXVDVAMLRJZ-QWRGUYRKSA-N 2 2 248.361 2.740 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)(C)C(F)F ZINC000850438517 588546420 /nfs/dbraw/zinc/54/64/20/588546420.db2.gz GRJCXVDVAMLRJZ-QWRGUYRKSA-N 2 2 248.361 2.740 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)(C)C(F)F ZINC000850438515 588546772 /nfs/dbraw/zinc/54/67/72/588546772.db2.gz GRJCXVDVAMLRJZ-GHMZBOCLSA-N 2 2 248.361 2.740 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C(C)(C)C(F)F ZINC000850438515 588546773 /nfs/dbraw/zinc/54/67/73/588546773.db2.gz GRJCXVDVAMLRJZ-GHMZBOCLSA-N 2 2 248.361 2.740 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000863545431 589297959 /nfs/dbraw/zinc/29/79/59/589297959.db2.gz RVCBIFJISJYRFD-INWMFGNUSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000863567108 589299614 /nfs/dbraw/zinc/29/96/14/589299614.db2.gz BZFLLDNDNWMPLF-NOZJJQNGSA-N 2 2 238.762 2.606 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000863567108 589299616 /nfs/dbraw/zinc/29/96/16/589299616.db2.gz BZFLLDNDNWMPLF-NOZJJQNGSA-N 2 2 238.762 2.606 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000863567110 589299660 /nfs/dbraw/zinc/29/96/60/589299660.db2.gz BZFLLDNDNWMPLF-RNCFNFMXSA-N 2 2 238.762 2.606 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000863567110 589299662 /nfs/dbraw/zinc/29/96/62/589299662.db2.gz BZFLLDNDNWMPLF-RNCFNFMXSA-N 2 2 238.762 2.606 20 0 BFADLP Cc1cccc(NCc2cn(C3CC3)c[nH+]2)[nH+]1 ZINC000865422713 589434661 /nfs/dbraw/zinc/43/46/61/589434661.db2.gz UCONNYPJTDQCOD-UHFFFAOYSA-N 2 2 228.299 2.534 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000866375423 589488814 /nfs/dbraw/zinc/48/88/14/589488814.db2.gz CFECVOOTQTWUOF-AWEZNQCLSA-N 2 2 246.398 2.610 20 0 BFADLP [NH3+]CCOc1ccc([NH2+]CCCC2CC2)cc1 ZINC000866660845 589508228 /nfs/dbraw/zinc/50/82/28/589508228.db2.gz NOZKGFVRAHAMSC-UHFFFAOYSA-N 2 2 234.343 2.626 20 0 BFADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866720032 589515524 /nfs/dbraw/zinc/51/55/24/589515524.db2.gz BNASOTLXZDICBV-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C)c(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866720032 589515526 /nfs/dbraw/zinc/51/55/26/589515526.db2.gz BNASOTLXZDICBV-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725063 589516336 /nfs/dbraw/zinc/51/63/36/589516336.db2.gz PFODQAZOTLHWPF-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866725063 589516338 /nfs/dbraw/zinc/51/63/38/589516338.db2.gz PFODQAZOTLHWPF-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c(C)c1 ZINC000866726364 589516464 /nfs/dbraw/zinc/51/64/64/589516464.db2.gz ZKXULFLFWDDFAU-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c(C)c1 ZINC000866726364 589516465 /nfs/dbraw/zinc/51/64/65/589516465.db2.gz ZKXULFLFWDDFAU-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C(C)(C)CC ZINC000872077299 589865329 /nfs/dbraw/zinc/86/53/29/589865329.db2.gz FPGHUQXZXGGSSI-CYBMUJFWSA-N 2 2 237.391 2.767 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccncc1 ZINC000873238268 590006146 /nfs/dbraw/zinc/00/61/46/590006146.db2.gz YVEJZAHYBYAVNZ-JSGCOSHPSA-N 2 2 247.386 2.510 20 0 BFADLP CC[C@@H](C)C[NH2+][C@@H](C[NH+](C)C)c1ccccc1 ZINC000020129454 590077353 /nfs/dbraw/zinc/07/73/53/590077353.db2.gz BWEUGRUXYDQXHE-HIFRSBDPSA-N 2 2 234.387 2.925 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252913 590529158 /nfs/dbraw/zinc/52/91/58/590529158.db2.gz YSIOSDNDKAXFIR-OOPCZODUSA-N 2 2 231.343 2.721 20 0 BFADLP C=C/C=C/CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252913 590529160 /nfs/dbraw/zinc/52/91/60/590529160.db2.gz YSIOSDNDKAXFIR-OOPCZODUSA-N 2 2 231.343 2.721 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252914 590529203 /nfs/dbraw/zinc/52/92/03/590529203.db2.gz YSIOSDNDKAXFIR-SCOBNMCVSA-N 2 2 231.343 2.721 20 0 BFADLP C=C/C=C\CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000878252914 590529206 /nfs/dbraw/zinc/52/92/06/590529206.db2.gz YSIOSDNDKAXFIR-SCOBNMCVSA-N 2 2 231.343 2.721 20 0 BFADLP c1[nH]cc(C2CC[NH+](CCCC3CC3)CC2)[nH+]1 ZINC000878266591 590531884 /nfs/dbraw/zinc/53/18/84/590531884.db2.gz FLXYNYGCKOYHEK-UHFFFAOYSA-N 2 2 233.359 2.779 20 0 BFADLP C=C/C=C/CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000878519518 590585858 /nfs/dbraw/zinc/58/58/58/590585858.db2.gz OTUUQXWBYOPWPS-NNTXTVRGSA-N 2 2 245.370 2.732 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000878519518 590585859 /nfs/dbraw/zinc/58/58/59/590585859.db2.gz OTUUQXWBYOPWPS-NNTXTVRGSA-N 2 2 245.370 2.732 20 0 BFADLP C=C/C=C/CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000878527409 590587012 /nfs/dbraw/zinc/58/70/12/590587012.db2.gz CEPNIDDPWRLIPK-NHZBNJEXSA-N 2 2 244.338 2.667 20 0 BFADLP C=C/C=C/CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000878527409 590587014 /nfs/dbraw/zinc/58/70/14/590587014.db2.gz CEPNIDDPWRLIPK-NHZBNJEXSA-N 2 2 244.338 2.667 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880133016 590933820 /nfs/dbraw/zinc/93/38/20/590933820.db2.gz YVOBXXLKZHXHJR-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880133016 590933822 /nfs/dbraw/zinc/93/38/22/590933822.db2.gz YVOBXXLKZHXHJR-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880133016 590933826 /nfs/dbraw/zinc/93/38/26/590933826.db2.gz YVOBXXLKZHXHJR-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880133016 590933828 /nfs/dbraw/zinc/93/38/28/590933828.db2.gz YVOBXXLKZHXHJR-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000130536882 591481107 /nfs/dbraw/zinc/48/11/07/591481107.db2.gz GVSOCVUVCZBZBL-UKRRQHHQSA-N 2 2 232.371 2.658 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000130536882 591481108 /nfs/dbraw/zinc/48/11/08/591481108.db2.gz GVSOCVUVCZBZBL-UKRRQHHQSA-N 2 2 232.371 2.658 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCC3(CC3)C1)C2 ZINC000883223293 591577964 /nfs/dbraw/zinc/57/79/64/591577964.db2.gz MFXCTWJTIZBDJY-NEPJUHHUSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC3(CC3)C1)CC2 ZINC000883223293 591577967 /nfs/dbraw/zinc/57/79/67/591577967.db2.gz MFXCTWJTIZBDJY-NEPJUHHUSA-N 2 2 245.370 2.579 20 0 BFADLP CCC[C@H](C)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000883250886 591591323 /nfs/dbraw/zinc/59/13/23/591591323.db2.gz SKASIGXBIUSESI-NSHDSACASA-N 2 2 223.364 2.644 20 0 BFADLP CCC[C@@H](C)CC[NH2+]Cc1c[nH+]c(C)n1C ZINC000883250885 591591334 /nfs/dbraw/zinc/59/13/34/591591334.db2.gz SKASIGXBIUSESI-LLVKDONJSA-N 2 2 223.364 2.644 20 0 BFADLP CCc1ccc(NCc2cn(C3CC3)c[nH+]2)[nH+]c1 ZINC000883384261 591638810 /nfs/dbraw/zinc/63/88/10/591638810.db2.gz NYRPXXBWVOYEFI-UHFFFAOYSA-N 2 2 242.326 2.788 20 0 BFADLP CCCCCC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000132001851 591683936 /nfs/dbraw/zinc/68/39/36/591683936.db2.gz CARCMOFONRUMFR-CHWSQXEVSA-N 2 2 224.392 2.782 20 0 BFADLP CCCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000132001851 591683939 /nfs/dbraw/zinc/68/39/39/591683939.db2.gz CARCMOFONRUMFR-CHWSQXEVSA-N 2 2 224.392 2.782 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C/C=C/c1cccc(F)c1 ZINC000885943723 592112053 /nfs/dbraw/zinc/11/20/53/592112053.db2.gz AVCVMBMUPVRPAA-VFQAQYNWSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]C/C=C/c1cccc(F)c1 ZINC000885943723 592112055 /nfs/dbraw/zinc/11/20/55/592112055.db2.gz AVCVMBMUPVRPAA-VFQAQYNWSA-N 2 2 248.345 2.523 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000886824826 592347357 /nfs/dbraw/zinc/34/73/57/592347357.db2.gz HOFMTEVDMMAZSY-YPMHNXCESA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2(C3CC3)CCC2)C[N@H+]1C1CC1 ZINC000886824826 592347363 /nfs/dbraw/zinc/34/73/63/592347363.db2.gz HOFMTEVDMMAZSY-YPMHNXCESA-N 2 2 234.387 2.534 20 0 BFADLP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C1CC1 ZINC000251791854 635619094 /nfs/dbraw/zinc/61/90/94/635619094.db2.gz NPQXDZNACBAFMS-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C1CC1 ZINC000251791854 635619093 /nfs/dbraw/zinc/61/90/93/635619093.db2.gz NPQXDZNACBAFMS-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C12CCCC2 ZINC000926285041 631545357 /nfs/dbraw/zinc/54/53/57/631545357.db2.gz OGGOPRQRNCZERK-SOUVJXGZSA-N 2 2 248.414 2.926 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C12CCCC2 ZINC000926285041 631545366 /nfs/dbraw/zinc/54/53/66/631545366.db2.gz OGGOPRQRNCZERK-SOUVJXGZSA-N 2 2 248.414 2.926 20 0 BFADLP C(C1CCCC1)[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC000848715741 631777083 /nfs/dbraw/zinc/77/70/83/631777083.db2.gz KZTKXHWZFOWISQ-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCCC1)[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC000848715741 631777092 /nfs/dbraw/zinc/77/70/92/631777092.db2.gz KZTKXHWZFOWISQ-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)[N@H+](C)C1CC1 ZINC000924965594 635813676 /nfs/dbraw/zinc/81/36/76/635813676.db2.gz ANZXNIMVDPAUIW-RISCZKNCSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000924965594 635813678 /nfs/dbraw/zinc/81/36/78/635813678.db2.gz ANZXNIMVDPAUIW-RISCZKNCSA-N 2 2 238.419 2.883 20 0 BFADLP Cl/C=C\C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000255693079 632697828 /nfs/dbraw/zinc/69/78/28/632697828.db2.gz IFUIUFRDMWMWKJ-LLPBQKLSSA-N 2 2 242.794 2.689 20 0 BFADLP Cl/C=C\C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000255693079 632697836 /nfs/dbraw/zinc/69/78/36/632697836.db2.gz IFUIUFRDMWMWKJ-LLPBQKLSSA-N 2 2 242.794 2.689 20 0 BFADLP C[C@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccccc1 ZINC000066184159 632853287 /nfs/dbraw/zinc/85/32/87/632853287.db2.gz SCHUMJMBKFVOFP-LBPRGKRZSA-N 2 2 220.360 2.725 20 0 BFADLP CC(C)(C)C1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000310357225 634131435 /nfs/dbraw/zinc/13/14/35/634131435.db2.gz IPJLFIATVZEZDB-NSHDSACASA-N 2 2 248.361 2.727 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925605104 634135111 /nfs/dbraw/zinc/13/51/11/634135111.db2.gz PCZJACSTEQXETE-REBRKWNGSA-N 2 2 232.371 2.853 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925605103 634135151 /nfs/dbraw/zinc/13/51/51/634135151.db2.gz PCZJACSTEQXETE-PMOUVXMZSA-N 2 2 232.371 2.853 20 0 BFADLP Cc1cc(N[C@H]2CC[NH2+]C23CCCC3)c[nH+]c1C ZINC000925765689 635177155 /nfs/dbraw/zinc/17/71/55/635177155.db2.gz GDYQENZATBRNHO-AWEZNQCLSA-N 2 2 245.370 2.785 20 0 BFADLP C1CC1C1([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925896470 635621406 /nfs/dbraw/zinc/62/14/06/635621406.db2.gz ODLWSJMJLTZVTB-ZIAGYGMSSA-N 2 2 234.387 2.536 20 0 BFADLP C1CC1C1([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925896470 635621411 /nfs/dbraw/zinc/62/14/11/635621411.db2.gz ODLWSJMJLTZVTB-ZIAGYGMSSA-N 2 2 234.387 2.536 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000925173245 636351521 /nfs/dbraw/zinc/35/15/21/636351521.db2.gz XLZXBEIBTUYPLM-RFQIPJPRSA-N 2 2 247.386 2.785 20 0 BFADLP CC(C)c1ccc([C@@H](C)[N@H+](C)CC[NH3+])cc1 ZINC000054417022 636636091 /nfs/dbraw/zinc/63/60/91/636636091.db2.gz XGRSCCIXWIOJPS-GFCCVEGCSA-N 2 2 220.360 2.762 20 0 BFADLP CC(C)c1ccc([C@@H](C)[N@@H+](C)CC[NH3+])cc1 ZINC000054417022 636636094 /nfs/dbraw/zinc/63/60/94/636636094.db2.gz XGRSCCIXWIOJPS-GFCCVEGCSA-N 2 2 220.360 2.762 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)[C@H]1C[C@H]1C ZINC000322207538 636819017 /nfs/dbraw/zinc/81/90/17/636819017.db2.gz SPRSNADSVFLBKO-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000041050906 636956598 /nfs/dbraw/zinc/95/65/98/636956598.db2.gz TVPFTJKNQMGRRS-CHWSQXEVSA-N 2 2 223.364 2.688 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000150305134 639501057 /nfs/dbraw/zinc/50/10/57/639501057.db2.gz QNRWEELZFISPSJ-LBPRGKRZSA-N 2 2 240.297 2.547 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000150305134 639501060 /nfs/dbraw/zinc/50/10/60/639501060.db2.gz QNRWEELZFISPSJ-LBPRGKRZSA-N 2 2 240.297 2.547 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718658 640333953 /nfs/dbraw/zinc/33/39/53/640333953.db2.gz BMNNABQWKGQPPF-MCIONIFRSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718658 640333957 /nfs/dbraw/zinc/33/39/57/640333957.db2.gz BMNNABQWKGQPPF-MCIONIFRSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931718658 640333960 /nfs/dbraw/zinc/33/39/60/640333960.db2.gz BMNNABQWKGQPPF-MCIONIFRSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@@H](C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931718658 640333961 /nfs/dbraw/zinc/33/39/61/640333961.db2.gz BMNNABQWKGQPPF-MCIONIFRSA-N 2 2 224.392 2.590 20 0 BFADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC000931718999 640335806 /nfs/dbraw/zinc/33/58/06/640335806.db2.gz YXXOXQZNNHOZEV-UONOGXRCSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC000931718999 640335808 /nfs/dbraw/zinc/33/58/08/640335808.db2.gz YXXOXQZNNHOZEV-UONOGXRCSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC000931718999 640335813 /nfs/dbraw/zinc/33/58/13/640335813.db2.gz YXXOXQZNNHOZEV-UONOGXRCSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC000931718999 640335814 /nfs/dbraw/zinc/33/58/14/640335814.db2.gz YXXOXQZNNHOZEV-UONOGXRCSA-N 2 2 236.403 2.591 20 0 BFADLP CC(C)CCC[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000165225658 640550778 /nfs/dbraw/zinc/55/07/78/640550778.db2.gz GZFYEUFBRFTJCW-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CCCCC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000226791134 640792716 /nfs/dbraw/zinc/79/27/16/640792716.db2.gz RDDZINFRNZFYHD-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CCCCC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000226791134 640792720 /nfs/dbraw/zinc/79/27/20/640792720.db2.gz RDDZINFRNZFYHD-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)(C)[NH2+]CC[N@@H+]1CCSC(C)(C)CC1 ZINC000231051142 641131990 /nfs/dbraw/zinc/13/19/90/641131990.db2.gz HCWFQWPMFSIDCH-UHFFFAOYSA-N 2 2 244.448 2.592 20 0 BFADLP CC(C)(C)[NH2+]CC[N@H+]1CCSC(C)(C)CC1 ZINC000231051142 641131995 /nfs/dbraw/zinc/13/19/95/641131995.db2.gz HCWFQWPMFSIDCH-UHFFFAOYSA-N 2 2 244.448 2.592 20 0 BFADLP CC(C)C1CC([NH2+]C[C@H](C)[NH+]2CCCCC2)C1 ZINC000232537671 641298015 /nfs/dbraw/zinc/29/80/15/641298015.db2.gz DYBUPQLVICQROY-NFOMZHRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC(C)C ZINC000250344673 641619894 /nfs/dbraw/zinc/61/98/94/641619894.db2.gz QGCQODHMIHPHPZ-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCC(C)C ZINC000250344673 641619897 /nfs/dbraw/zinc/61/98/97/641619897.db2.gz QGCQODHMIHPHPZ-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)c1ccc(C[N@H+](CC[NH3+])C2CC2)cc1 ZINC000032089676 641736263 /nfs/dbraw/zinc/73/62/63/641736263.db2.gz ZIPYTTDFUZTHHA-UHFFFAOYSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1ccc(C[N@@H+](CC[NH3+])C2CC2)cc1 ZINC000032089676 641736269 /nfs/dbraw/zinc/73/62/69/641736269.db2.gz ZIPYTTDFUZTHHA-UHFFFAOYSA-N 2 2 232.371 2.733 20 0 BFADLP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929991772 642101907 /nfs/dbraw/zinc/10/19/07/642101907.db2.gz IXBFYFDOZWLSCZ-UPJWGTAASA-N 2 2 233.359 2.635 20 0 BFADLP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000929991772 642101911 /nfs/dbraw/zinc/10/19/11/642101911.db2.gz IXBFYFDOZWLSCZ-UPJWGTAASA-N 2 2 233.359 2.635 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233894672 642706762 /nfs/dbraw/zinc/70/67/62/642706762.db2.gz ICXFGQCZNGVISC-DDTOSNHZSA-N 2 2 236.334 2.556 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000233894672 642706767 /nfs/dbraw/zinc/70/67/67/642706767.db2.gz ICXFGQCZNGVISC-DDTOSNHZSA-N 2 2 236.334 2.556 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000083055706 643405127 /nfs/dbraw/zinc/40/51/27/643405127.db2.gz PXBZZRCUGUMDKX-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC000083055703 643405545 /nfs/dbraw/zinc/40/55/45/643405545.db2.gz PXBZZRCUGUMDKX-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CS[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000921653734 643705101 /nfs/dbraw/zinc/70/51/01/643705101.db2.gz XFYQDQLSRBNAIX-QWHCGFSZSA-N 2 2 244.448 2.590 20 0 BFADLP CS[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000921653734 643705108 /nfs/dbraw/zinc/70/51/08/643705108.db2.gz XFYQDQLSRBNAIX-QWHCGFSZSA-N 2 2 244.448 2.590 20 0 BFADLP CC[NH2+][C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090168091 644583526 /nfs/dbraw/zinc/58/35/26/644583526.db2.gz VWSTYUKSDLDOCO-CQSZACIVSA-N 2 2 232.371 2.649 20 0 BFADLP CC[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090168091 644583530 /nfs/dbraw/zinc/58/35/30/644583530.db2.gz VWSTYUKSDLDOCO-CQSZACIVSA-N 2 2 232.371 2.649 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@H]1C ZINC000251593307 644812279 /nfs/dbraw/zinc/81/22/79/644812279.db2.gz BKNFEZXMPBUOMT-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC[C@H]1C ZINC000251593307 644812282 /nfs/dbraw/zinc/81/22/82/644812282.db2.gz BKNFEZXMPBUOMT-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926521245 645252845 /nfs/dbraw/zinc/25/28/45/645252845.db2.gz MYVLATABWBJAEC-QPSCCSFWSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926521245 645252849 /nfs/dbraw/zinc/25/28/49/645252849.db2.gz MYVLATABWBJAEC-QPSCCSFWSA-N 2 2 236.403 2.639 20 0 BFADLP C1[C@H]2CCC[C@@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)[C@@H]12 ZINC000926639989 645327431 /nfs/dbraw/zinc/32/74/31/645327431.db2.gz TWBGRVBVOGKUQB-LEOABGAYSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CCC[C@@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)[C@@H]12 ZINC000926639989 645327440 /nfs/dbraw/zinc/32/74/40/645327440.db2.gz TWBGRVBVOGKUQB-LEOABGAYSA-N 2 2 248.414 2.782 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000925489967 645535444 /nfs/dbraw/zinc/53/54/44/645535444.db2.gz DBQCHTGZIIRGJE-CABCVRRESA-N 2 2 244.382 2.794 20 0 BFADLP C[C@@H](C[NH2+]C1CC2(C1)CCCC2)[N@H+](C)C1CC1 ZINC000924965962 646145162 /nfs/dbraw/zinc/14/51/62/646145162.db2.gz BVCJDBZSJLVEKZ-LBPRGKRZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[NH2+]C1CC2(C1)CCCC2)[N@@H+](C)C1CC1 ZINC000924965962 646145173 /nfs/dbraw/zinc/14/51/73/646145173.db2.gz BVCJDBZSJLVEKZ-LBPRGKRZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C2CC3(C2)CCCC3)C1 ZINC000925196314 646204053 /nfs/dbraw/zinc/20/40/53/646204053.db2.gz DQTXHOOUHBKAPH-ZDUSSCGKSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CC3(C2)CCCC3)C1 ZINC000925196314 646204061 /nfs/dbraw/zinc/20/40/61/646204061.db2.gz DQTXHOOUHBKAPH-ZDUSSCGKSA-N 2 2 236.403 2.641 20 0 BFADLP C(C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)CC1CC1 ZINC000925437441 646283271 /nfs/dbraw/zinc/28/32/71/646283271.db2.gz NLFCTYCACJIMJM-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C(C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)CC1CC1 ZINC000925437441 646283276 /nfs/dbraw/zinc/28/32/76/646283276.db2.gz NLFCTYCACJIMJM-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c(C)[nH+]1 ZINC000929884984 646367388 /nfs/dbraw/zinc/36/73/88/646367388.db2.gz KANGGYBJKQBNJI-CQSZACIVSA-N 2 2 244.342 2.692 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)c(C)[nH+]1 ZINC000929884984 646367393 /nfs/dbraw/zinc/36/73/93/646367393.db2.gz KANGGYBJKQBNJI-CQSZACIVSA-N 2 2 244.342 2.692 20 0 BFADLP C[C@H]([NH3+])[C@H]([NH2+][C@H]1CC12CCCC2)c1ccccc1 ZINC000925651527 646391898 /nfs/dbraw/zinc/39/18/98/646391898.db2.gz FDLUWFSIEJMNCA-QEJZJMRPSA-N 2 2 244.382 2.997 20 0 BFADLP Cc1cc(N[C@@H]2CCCCC[C@H]2[NH3+])c[nH+]c1C ZINC000925769336 646470692 /nfs/dbraw/zinc/47/06/92/646470692.db2.gz OUPAQSHQMMZAFV-ZIAGYGMSSA-N 2 2 233.359 2.770 20 0 BFADLP Cc1cc(N[C@H](C)[C@@H]2CCCC[NH2+]2)c[nH+]c1C ZINC000925770996 646470700 /nfs/dbraw/zinc/47/07/00/646470700.db2.gz YOFKOEGOJWDTOO-OCCSQVGLSA-N 2 2 233.359 2.641 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(C)CC1 ZINC000925778111 646475700 /nfs/dbraw/zinc/47/57/00/646475700.db2.gz RJQWCHGRKLNJEY-IHRRRGAJSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1(C)CC1 ZINC000925778111 646475715 /nfs/dbraw/zinc/47/57/15/646475715.db2.gz RJQWCHGRKLNJEY-IHRRRGAJSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(C)s1 ZINC000925786355 646483631 /nfs/dbraw/zinc/48/36/31/646483631.db2.gz OBMBMDPNXRTTSH-DFAYQTQMSA-N 2 2 238.400 2.623 20 0 BFADLP CC1(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926327896 646617375 /nfs/dbraw/zinc/61/73/75/646617375.db2.gz VWENYMWTOSRGQV-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926327896 646617376 /nfs/dbraw/zinc/61/73/76/646617376.db2.gz VWENYMWTOSRGQV-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC(F)(F)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926494128 646662862 /nfs/dbraw/zinc/66/28/62/646662862.db2.gz CPVSTVLQMVZUMQ-NWDGAFQWSA-N 2 2 246.345 2.638 20 0 BFADLP CC(F)(F)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926494128 646662864 /nfs/dbraw/zinc/66/28/64/646662864.db2.gz CPVSTVLQMVZUMQ-NWDGAFQWSA-N 2 2 246.345 2.638 20 0 BFADLP CCC1([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926508377 646666893 /nfs/dbraw/zinc/66/68/93/646666893.db2.gz GHGLFHZWBJIDMU-QWHCGFSZSA-N 2 2 222.376 2.536 20 0 BFADLP CCC1([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926508377 646666894 /nfs/dbraw/zinc/66/68/94/646666894.db2.gz GHGLFHZWBJIDMU-QWHCGFSZSA-N 2 2 222.376 2.536 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156529 712549544 /nfs/dbraw/zinc/54/95/44/712549544.db2.gz IUTAQMTXXMAYCC-STQMWFEESA-N 2 2 237.391 2.932 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+]1CCCCC1 ZINC000038028744 712800064 /nfs/dbraw/zinc/80/00/64/712800064.db2.gz JPEVJIJLGPJREU-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000381678614 710670588 /nfs/dbraw/zinc/67/05/88/710670588.db2.gz XRCUSXYSCXOEHD-VIFPVBQESA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000381678614 710670591 /nfs/dbraw/zinc/67/05/91/710670591.db2.gz XRCUSXYSCXOEHD-VIFPVBQESA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723569636 711518383 /nfs/dbraw/zinc/51/83/83/711518383.db2.gz TXNPDVUZUWQYJM-QWHCGFSZSA-N 2 2 233.359 2.584 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000382455472 711554934 /nfs/dbraw/zinc/55/49/34/711554934.db2.gz SXZUUPSUCZANRW-FRRDWIJNSA-N 2 2 235.375 2.686 20 0 BFADLP CC[C@@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)[C@@H]1CC1(C)C ZINC000724683176 711608708 /nfs/dbraw/zinc/60/87/08/711608708.db2.gz IVBOFPJIENXMAO-NWDGAFQWSA-N 2 2 235.375 2.941 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1C ZINC000257658056 711723995 /nfs/dbraw/zinc/72/39/95/711723995.db2.gz FTLPSVVWLTUCRY-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1C ZINC000257658056 711723997 /nfs/dbraw/zinc/72/39/97/711723997.db2.gz FTLPSVVWLTUCRY-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)c[nH+]1 ZINC000711170798 712288260 /nfs/dbraw/zinc/28/82/60/712288260.db2.gz WIGIGPTYAVTMBV-QDMKHBRRSA-N 2 2 247.386 2.832 20 0 BFADLP C[C@H]1CCC(C)(C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000717490081 712659961 /nfs/dbraw/zinc/65/99/61/712659961.db2.gz OSOFBSOKIFDYCL-QWHCGFSZSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[NH+]1CCCCC1 ZINC000038028742 712800010 /nfs/dbraw/zinc/80/00/10/712800010.db2.gz JPEVJIJLGPJREU-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028697 712800184 /nfs/dbraw/zinc/80/01/84/712800184.db2.gz ODHHEYJPDLBYRG-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCCC[N@@H+]1C ZINC000398226858 960608998 /nfs/dbraw/zinc/60/89/98/960608998.db2.gz QOZGJDIBGWHFHI-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]1CCCC[N@H+]1C ZINC000398226858 960609003 /nfs/dbraw/zinc/60/90/03/960609003.db2.gz QOZGJDIBGWHFHI-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC[C@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001255324528 970101679 /nfs/dbraw/zinc/10/16/79/970101679.db2.gz FPSVWESUXIJLNV-NSHDSACASA-N 2 2 235.375 2.631 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@](C)(F)C1 ZINC001255957173 970585966 /nfs/dbraw/zinc/58/59/66/970585966.db2.gz PALBWROJPHOVAX-UONOGXRCSA-N 2 2 244.398 2.931 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@](C)(F)C1 ZINC001255957173 970585973 /nfs/dbraw/zinc/58/59/73/970585973.db2.gz PALBWROJPHOVAX-UONOGXRCSA-N 2 2 244.398 2.931 20 0 BFADLP CC[NH+](CC)C[C@@H](C)Oc1c(C)cc[nH+]c1C ZINC001227261317 975335736 /nfs/dbraw/zinc/33/57/36/975335736.db2.gz ZFKHIHUIJJNQRA-GFCCVEGCSA-N 2 2 236.359 2.808 20 0 BFADLP CCC[C@H](C)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC001201552226 983307912 /nfs/dbraw/zinc/30/79/12/983307912.db2.gz BXEISOZJJFNILF-ZDUSSCGKSA-N 2 2 223.364 2.641 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+]CCOc1cc[nH+]cc1 ZINC001172401808 974765105 /nfs/dbraw/zinc/76/51/05/974765105.db2.gz OTIPTUOCZAERRR-ZDUSSCGKSA-N 2 2 236.359 2.875 20 0 BFADLP Cc1[nH+]c2c(n1[C@H](C)CCC(C)C)CC[NH2+]CC2 ZINC001256363222 970768018 /nfs/dbraw/zinc/76/80/18/970768018.db2.gz ILCXOLJBOBJUIW-GFCCVEGCSA-N 2 2 249.402 2.877 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001256366543 970776057 /nfs/dbraw/zinc/77/60/57/970776057.db2.gz QAZNFQAKTBLTQV-CYBMUJFWSA-N 2 2 236.359 2.875 20 0 BFADLP CCOc1cc[nH+]cc1Nc1cc[nH+]c(NC)c1 ZINC001216333204 971046371 /nfs/dbraw/zinc/04/63/71/971046371.db2.gz KWTDJMOLEZXEMX-UHFFFAOYSA-N 2 2 244.298 2.661 20 0 BFADLP CNc1cc(Nc2cccn3cc[nH+]c23)cc[nH+]1 ZINC001216333478 971046555 /nfs/dbraw/zinc/04/65/55/971046555.db2.gz ZSOPUKDCBRCVAI-UHFFFAOYSA-N 2 2 239.282 2.515 20 0 BFADLP CCC(CC)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001257301106 971189457 /nfs/dbraw/zinc/18/94/57/971189457.db2.gz PRWPRAWPTPRICZ-NSHDSACASA-N 2 2 221.348 2.711 20 0 BFADLP CCC[C@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001257308316 971200250 /nfs/dbraw/zinc/20/02/50/971200250.db2.gz MUXWRQKHDZZRSG-JTQLQIEISA-N 2 2 241.404 2.745 20 0 BFADLP CCCC(CCC)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001257338869 971249696 /nfs/dbraw/zinc/24/96/96/971249696.db2.gz CIOFRPZHURMDMW-ZFWWWQNUSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001257338869 971249705 /nfs/dbraw/zinc/24/97/05/971249705.db2.gz CIOFRPZHURMDMW-ZFWWWQNUSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001257338869 971249713 /nfs/dbraw/zinc/24/97/13/971249713.db2.gz CIOFRPZHURMDMW-ZFWWWQNUSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001257338869 971249721 /nfs/dbraw/zinc/24/97/21/971249721.db2.gz CIOFRPZHURMDMW-ZFWWWQNUSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405830781 971310920 /nfs/dbraw/zinc/31/09/20/971310920.db2.gz RPSFPXXMLLWTKF-MRXNPFEDSA-N 2 2 246.398 2.808 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405830781 971310925 /nfs/dbraw/zinc/31/09/25/971310925.db2.gz RPSFPXXMLLWTKF-MRXNPFEDSA-N 2 2 246.398 2.808 20 0 BFADLP CC[C@@H](C)n1c[nH+]cc1-c1cccc(C[NH3+])c1 ZINC001257435626 971344635 /nfs/dbraw/zinc/34/46/35/971344635.db2.gz JEKOSBDJSYOVSH-LLVKDONJSA-N 2 2 229.327 2.980 20 0 BFADLP C1CCC([N@@H+]2CC[C@@H]([NH2+]C3CCCCC3)C2)C1 ZINC001257452877 971373165 /nfs/dbraw/zinc/37/31/65/971373165.db2.gz UJXHRNPYSNLNAU-CQSZACIVSA-N 2 2 236.403 2.926 20 0 BFADLP C1CCC([N@H+]2CC[C@@H]([NH2+]C3CCCCC3)C2)C1 ZINC001257452877 971373177 /nfs/dbraw/zinc/37/31/77/971373177.db2.gz UJXHRNPYSNLNAU-CQSZACIVSA-N 2 2 236.403 2.926 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[NH+]1CCCCC1 ZINC000408510030 971993346 /nfs/dbraw/zinc/99/33/46/971993346.db2.gz BGZJGCWKPLMMJF-XQLPTFJDSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246085665 972141284 /nfs/dbraw/zinc/14/12/84/972141284.db2.gz IRJDWFLTCZUTGJ-XDQVBPFNSA-N 2 2 244.398 2.881 20 0 BFADLP CCCC1CCC([NH2+]C[C@@H]2C[C@@H](F)C[NH2+]2)CC1 ZINC001246115542 972182825 /nfs/dbraw/zinc/18/28/25/972182825.db2.gz ZWNAAIGSRCJULB-HHTDUIENSA-N 2 2 242.382 2.635 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC001246161839 972200014 /nfs/dbraw/zinc/20/00/14/972200014.db2.gz ASESSAVOVDYDDZ-VHDGCEQUSA-N 2 2 232.371 2.868 20 0 BFADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001208686589 957120757 /nfs/dbraw/zinc/12/07/57/957120757.db2.gz NRKLTCOYYBPPIU-CQSZACIVSA-N 2 2 246.354 2.643 20 0 BFADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCC2CC2)C1 ZINC001208686589 957120768 /nfs/dbraw/zinc/12/07/68/957120768.db2.gz NRKLTCOYYBPPIU-CQSZACIVSA-N 2 2 246.354 2.643 20 0 BFADLP Cc1ccc2c(cc[nH+]c2N[C@H]2CC[N@@H+](C)C2)c1 ZINC001167269957 957613269 /nfs/dbraw/zinc/61/32/69/957613269.db2.gz FXEJTFUBIINRBS-ZDUSSCGKSA-N 2 2 241.338 2.659 20 0 BFADLP Cc1ccc2c(cc[nH+]c2N[C@H]2CC[N@H+](C)C2)c1 ZINC001167269957 957613276 /nfs/dbraw/zinc/61/32/76/957613276.db2.gz FXEJTFUBIINRBS-ZDUSSCGKSA-N 2 2 241.338 2.659 20 0 BFADLP Cc1ccccc1C[N@@H+](C)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399030204 958492388 /nfs/dbraw/zinc/49/23/88/958492388.db2.gz LKYDFDWZNVFJNR-DZGCQCFKSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccccc1C[N@H+](C)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000399030204 958492405 /nfs/dbraw/zinc/49/24/05/958492405.db2.gz LKYDFDWZNVFJNR-DZGCQCFKSA-N 2 2 232.371 2.567 20 0 BFADLP CC/C=C\CCC[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222190472 972402077 /nfs/dbraw/zinc/40/20/77/972402077.db2.gz CACJKLFBUMIOLW-NQHOJNORSA-N 2 2 222.376 2.561 20 0 BFADLP CC/C=C\CCC[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222190472 972402085 /nfs/dbraw/zinc/40/20/85/972402085.db2.gz CACJKLFBUMIOLW-NQHOJNORSA-N 2 2 222.376 2.561 20 0 BFADLP Cc1cccc(C)c1C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192059 972400783 /nfs/dbraw/zinc/40/07/83/972400783.db2.gz SPVLXPKSPZNRQE-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cccc(C)c1C[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192059 972400788 /nfs/dbraw/zinc/40/07/88/972400788.db2.gz SPVLXPKSPZNRQE-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000724775815 959440944 /nfs/dbraw/zinc/44/09/44/959440944.db2.gz JJRUBYOFRRUCNZ-GXTWGEPZSA-N 2 2 233.359 2.873 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000724775815 959440955 /nfs/dbraw/zinc/44/09/55/959440955.db2.gz JJRUBYOFRRUCNZ-GXTWGEPZSA-N 2 2 233.359 2.873 20 0 BFADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000405857279 959522696 /nfs/dbraw/zinc/52/26/96/959522696.db2.gz BFDUDPXNIKMELQ-CYBMUJFWSA-N 2 2 240.297 2.547 20 0 BFADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000405857279 959522708 /nfs/dbraw/zinc/52/27/08/959522708.db2.gz BFDUDPXNIKMELQ-CYBMUJFWSA-N 2 2 240.297 2.547 20 0 BFADLP CC(C)=CCC[C@H](C)CC[NH+]1CC2(C[NH2+]C2)C1 ZINC001222460884 972496256 /nfs/dbraw/zinc/49/62/56/972496256.db2.gz HRKSGNRXHRHOTI-AWEZNQCLSA-N 2 2 236.403 2.664 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000692622127 960340484 /nfs/dbraw/zinc/34/04/84/960340484.db2.gz KDAQFJBMJLKSCW-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000692622127 960340497 /nfs/dbraw/zinc/34/04/97/960340497.db2.gz KDAQFJBMJLKSCW-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@]1(F)CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802465 960586297 /nfs/dbraw/zinc/58/62/97/960586297.db2.gz WGVHSMRMKUSWGR-AWEZNQCLSA-N 2 2 247.317 2.887 20 0 BFADLP C[C@]1(F)CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802465 960586313 /nfs/dbraw/zinc/58/63/13/960586313.db2.gz WGVHSMRMKUSWGR-AWEZNQCLSA-N 2 2 247.317 2.887 20 0 BFADLP CC1(F)CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140802480 960595122 /nfs/dbraw/zinc/59/51/22/960595122.db2.gz WOLMLEAGUNZULI-UHFFFAOYSA-N 2 2 247.317 2.887 20 0 BFADLP Cc1cc[nH+]c(C)c1NCc1ccc(N)[nH+]c1C ZINC001167785963 960878864 /nfs/dbraw/zinc/87/88/64/960878864.db2.gz JBDNKZOXMSDMPB-UHFFFAOYSA-N 2 2 242.326 2.596 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710847099 962494363 /nfs/dbraw/zinc/49/43/63/962494363.db2.gz FZWUGPVTTZWFAI-CBBWQLFWSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710847099 962494376 /nfs/dbraw/zinc/49/43/76/962494376.db2.gz FZWUGPVTTZWFAI-CBBWQLFWSA-N 2 2 236.403 2.639 20 0 BFADLP [NH3+][C@H]1CCC[C@@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC001154975469 962927818 /nfs/dbraw/zinc/92/78/18/962927818.db2.gz HSBOBWVUWGXSBB-UONOGXRCSA-N 2 2 241.338 2.917 20 0 BFADLP CC(C)c1ccc(N(CCC[NH3+])C(C)C)[nH+]c1 ZINC001156118114 963259978 /nfs/dbraw/zinc/25/99/78/963259978.db2.gz SEPQJDOHJPPFJS-UHFFFAOYSA-N 2 2 235.375 2.769 20 0 BFADLP Cc1c[nH+]c(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc1C ZINC001157802896 963731429 /nfs/dbraw/zinc/73/14/29/963731429.db2.gz BRGZCKYRONBFBL-KBPBESRZSA-N 2 2 247.386 2.983 20 0 BFADLP Cc1cc(C)[nH+]c(N2CC[N@@H+](C(C)C)[C@@H](C)C2)c1 ZINC001158493821 963881320 /nfs/dbraw/zinc/88/13/20/963881320.db2.gz NFJRYBPAYCDVOU-AWEZNQCLSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1cc(C)[nH+]c(N2CC[N@H+](C(C)C)[C@@H](C)C2)c1 ZINC001158493821 963881324 /nfs/dbraw/zinc/88/13/24/963881324.db2.gz NFJRYBPAYCDVOU-AWEZNQCLSA-N 2 2 247.386 2.617 20 0 BFADLP CCCCCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038087895 963896195 /nfs/dbraw/zinc/89/61/95/963896195.db2.gz RMWKUNMMLJTWDT-CHWSQXEVSA-N 2 2 214.397 2.885 20 0 BFADLP c1ccc2cc(NCC[C@H]3CCC[NH2+]3)[nH+]cc2c1 ZINC001158628974 963899015 /nfs/dbraw/zinc/89/90/15/963899015.db2.gz SCIFVROCAUSTFA-CQSZACIVSA-N 2 2 241.338 2.789 20 0 BFADLP Cc1cc(NC2(C)CC[NH2+]CC2)ccc1[NH+](C)C ZINC001168188042 963947977 /nfs/dbraw/zinc/94/79/77/963947977.db2.gz KWJJZSYJWFPIQO-UHFFFAOYSA-N 2 2 247.386 2.615 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)C1CCC(C)CC1 ZINC001168222079 964002021 /nfs/dbraw/zinc/00/20/21/964002021.db2.gz WCKSYHZAELEGEM-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCC(C)CC1 ZINC001168222079 964002032 /nfs/dbraw/zinc/00/20/32/964002032.db2.gz WCKSYHZAELEGEM-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CCc1cccc(Nc2ccc3c(c2)C[NH2+]C3)[nH+]1 ZINC001159281182 964050765 /nfs/dbraw/zinc/05/07/65/964050765.db2.gz QJMWMNLGIIPLEX-UHFFFAOYSA-N 2 2 239.322 2.991 20 0 BFADLP CCCc1cc[nH+]c(NC=C2CC[NH2+]CC2)c1 ZINC001159408695 964080280 /nfs/dbraw/zinc/08/02/80/964080280.db2.gz IPUFVBUQUVWTHQ-UHFFFAOYSA-N 2 2 231.343 2.713 20 0 BFADLP C[C@@H]([NH3+])CCNc1cc(-c2ccccc2)cc[nH+]1 ZINC001159774690 964189677 /nfs/dbraw/zinc/18/96/77/964189677.db2.gz KWZJYUJRPJGNSK-GFCCVEGCSA-N 2 2 241.338 2.898 20 0 BFADLP Cc1ccc(N[C@H]2CC[N@@H+](C3CCC3)C2)[nH+]c1C ZINC001161177376 964551078 /nfs/dbraw/zinc/55/10/78/964551078.db2.gz MHJWQVTXSJGEKX-ZDUSSCGKSA-N 2 2 245.370 2.737 20 0 BFADLP Cc1ccc(N[C@H]2CC[N@H+](C3CCC3)C2)[nH+]c1C ZINC001161177376 964551088 /nfs/dbraw/zinc/55/10/88/964551088.db2.gz MHJWQVTXSJGEKX-ZDUSSCGKSA-N 2 2 245.370 2.737 20 0 BFADLP CCC[C@@H]1CCCC[N@@H+]1C1CC[NH+](C)CC1 ZINC000149994018 964724818 /nfs/dbraw/zinc/72/48/18/964724818.db2.gz YNBGUQOLQFEXBZ-CYBMUJFWSA-N 2 2 224.392 2.735 20 0 BFADLP CCC[C@@H]1CCCC[N@H+]1C1CC[NH+](C)CC1 ZINC000149994018 964724828 /nfs/dbraw/zinc/72/48/28/964724828.db2.gz YNBGUQOLQFEXBZ-CYBMUJFWSA-N 2 2 224.392 2.735 20 0 BFADLP Cc1ccc(N[C@]2(C)CCC[N@@H+](C)C2)[nH+]c1C ZINC001162342944 964940132 /nfs/dbraw/zinc/94/01/32/964940132.db2.gz XSMPVDDTGRFRRN-CQSZACIVSA-N 2 2 233.359 2.595 20 0 BFADLP Cc1ccc(N[C@]2(C)CCC[N@H+](C)C2)[nH+]c1C ZINC001162342944 964940135 /nfs/dbraw/zinc/94/01/35/964940135.db2.gz XSMPVDDTGRFRRN-CQSZACIVSA-N 2 2 233.359 2.595 20 0 BFADLP Cc1cc(NC[C@H]2CCC[NH2+]C[C@H]2C)c[nH+]c1C ZINC001162457851 964985019 /nfs/dbraw/zinc/98/50/19/964985019.db2.gz RRXWSHVLRBXELZ-TZMCWYRMSA-N 2 2 247.386 2.746 20 0 BFADLP CC(C)N(CCC[NH3+])c1ccc(C2CC2)c[nH+]1 ZINC001164126667 965750570 /nfs/dbraw/zinc/75/05/70/965750570.db2.gz DBVHDLQTSHHXCV-UHFFFAOYSA-N 2 2 233.359 2.523 20 0 BFADLP CC1=CC[C@H](CC[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1(C)C ZINC001235166659 966025757 /nfs/dbraw/zinc/02/57/57/966025757.db2.gz VBQRRHBFOGVILX-IJEWVQPXSA-N 2 2 248.414 2.792 20 0 BFADLP CC1=CC[C@H](CC[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1(C)C ZINC001235166659 966025770 /nfs/dbraw/zinc/02/57/70/966025770.db2.gz VBQRRHBFOGVILX-IJEWVQPXSA-N 2 2 248.414 2.792 20 0 BFADLP [NH3+][C@H](C[N@@H+]1CC[C@H]2CCC[C@@H]2C1)c1ccccc1 ZINC001235224680 966030371 /nfs/dbraw/zinc/03/03/71/966030371.db2.gz NTJWSAGKPWHUHQ-FVQBIDKESA-N 2 2 244.382 2.808 20 0 BFADLP [NH3+][C@H](C[N@H+]1CC[C@H]2CCC[C@@H]2C1)c1ccccc1 ZINC001235224680 966030386 /nfs/dbraw/zinc/03/03/86/966030386.db2.gz NTJWSAGKPWHUHQ-FVQBIDKESA-N 2 2 244.382 2.808 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001236052494 966255916 /nfs/dbraw/zinc/25/59/16/966255916.db2.gz RUZOLMABFHVKBF-BBRMVZONSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)c1 ZINC001236052494 966255923 /nfs/dbraw/zinc/25/59/23/966255923.db2.gz RUZOLMABFHVKBF-BBRMVZONSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206711859 966258299 /nfs/dbraw/zinc/25/82/99/966258299.db2.gz PMMRHWWQELBZIU-UHFFFAOYSA-N 2 2 232.371 2.591 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2cc(C)ccc12 ZINC001236866278 966598679 /nfs/dbraw/zinc/59/86/79/966598679.db2.gz XYCDQHOJMHSHNQ-ZDUSSCGKSA-N 2 2 245.370 2.645 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2cc(C)ccc12 ZINC001236866278 966598688 /nfs/dbraw/zinc/59/86/88/966598688.db2.gz XYCDQHOJMHSHNQ-ZDUSSCGKSA-N 2 2 245.370 2.645 20 0 BFADLP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528001185 966841710 /nfs/dbraw/zinc/84/17/10/966841710.db2.gz LUUZPLUFADLZNS-OWCLPIDISA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CC[C@H]1C1CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528001185 966841715 /nfs/dbraw/zinc/84/17/15/966841715.db2.gz LUUZPLUFADLZNS-OWCLPIDISA-N 2 2 248.414 2.782 20 0 BFADLP Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@@](C)([NH3+])C2)o1 ZINC001204763601 967152960 /nfs/dbraw/zinc/15/29/60/967152960.db2.gz MUHSLZFLFGWAHE-SMDDNHRTSA-N 2 2 236.359 2.505 20 0 BFADLP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@@](C)([NH3+])C2)o1 ZINC001204763601 967152971 /nfs/dbraw/zinc/15/29/71/967152971.db2.gz MUHSLZFLFGWAHE-SMDDNHRTSA-N 2 2 236.359 2.505 20 0 BFADLP CCCCc1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204790344 967169936 /nfs/dbraw/zinc/16/99/36/967169936.db2.gz JGSMGWDSIGTDJC-MRXNPFEDSA-N 2 2 246.398 2.952 20 0 BFADLP CCCCc1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC001204790344 967169942 /nfs/dbraw/zinc/16/99/42/967169942.db2.gz JGSMGWDSIGTDJC-MRXNPFEDSA-N 2 2 246.398 2.952 20 0 BFADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001204790856 967171959 /nfs/dbraw/zinc/17/19/59/967171959.db2.gz NFNMXSBUUXSLNW-AWEZNQCLSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001204790856 967171967 /nfs/dbraw/zinc/17/19/67/967171967.db2.gz NFNMXSBUUXSLNW-AWEZNQCLSA-N 2 2 246.379 2.824 20 0 BFADLP CC/C=C\CCCCC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903804 967221654 /nfs/dbraw/zinc/22/16/54/967221654.db2.gz FJZQSADKAKSSFZ-VQTKUKTRSA-N 2 2 236.403 2.936 20 0 BFADLP CC/C=C\CCCCC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204903804 967221663 /nfs/dbraw/zinc/22/16/63/967221663.db2.gz FJZQSADKAKSSFZ-VQTKUKTRSA-N 2 2 236.403 2.936 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)c(C)c1 ZINC001204904485 967224277 /nfs/dbraw/zinc/22/42/77/967224277.db2.gz QYQGVYGEULPZFI-OAHLLOKOSA-N 2 2 244.382 2.535 20 0 BFADLP Cc1cc(C)c(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)c(C)c1 ZINC001204904485 967224289 /nfs/dbraw/zinc/22/42/89/967224289.db2.gz QYQGVYGEULPZFI-OAHLLOKOSA-N 2 2 244.382 2.535 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204940465 967245117 /nfs/dbraw/zinc/24/51/17/967245117.db2.gz XTRLIWWNWNAWHN-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1 ZINC001204940465 967245128 /nfs/dbraw/zinc/24/51/28/967245128.db2.gz XTRLIWWNWNAWHN-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)c1 ZINC001204944744 967248569 /nfs/dbraw/zinc/24/85/69/967248569.db2.gz AMXQCTDXULIFET-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)c1 ZINC001204944744 967248576 /nfs/dbraw/zinc/24/85/76/967248576.db2.gz AMXQCTDXULIFET-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP C[C@]1([NH3+])CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001204945926 967250648 /nfs/dbraw/zinc/25/06/48/967250648.db2.gz KIWIALMQSWKROH-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP C[C@]1([NH3+])CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001204945926 967250661 /nfs/dbraw/zinc/25/06/61/967250661.db2.gz KIWIALMQSWKROH-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP C[C@H]1c2ccccc2CC[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC001205164633 967407412 /nfs/dbraw/zinc/40/74/12/967407412.db2.gz JXRUDBHFEGASCE-DZGCQCFKSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC001205164633 967407420 /nfs/dbraw/zinc/40/74/20/967407420.db2.gz JXRUDBHFEGASCE-DZGCQCFKSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1cccc2c1C[N@H+](CC[C@H]1CCCC[NH2+]1)C2 ZINC001206081150 968047100 /nfs/dbraw/zinc/04/71/00/968047100.db2.gz KBYGZVUQONABLX-OAHLLOKOSA-N 2 2 244.382 2.843 20 0 BFADLP Cc1cccc2c1C[N@@H+](CC[C@H]1CCCC[NH2+]1)C2 ZINC001206081150 968047114 /nfs/dbraw/zinc/04/71/14/968047114.db2.gz KBYGZVUQONABLX-OAHLLOKOSA-N 2 2 244.382 2.843 20 0 BFADLP CC(C)CCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337008 968243163 /nfs/dbraw/zinc/24/31/63/968243163.db2.gz QDOSBFYQXXPHBN-CYBMUJFWSA-N 2 2 230.371 2.576 20 0 BFADLP CC(C)CCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206337008 968243169 /nfs/dbraw/zinc/24/31/69/968243169.db2.gz QDOSBFYQXXPHBN-CYBMUJFWSA-N 2 2 230.371 2.576 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+](CCC1CCCCC1)C2 ZINC001207257440 968696283 /nfs/dbraw/zinc/69/62/83/968696283.db2.gz VZKAEOKWHBFTGM-UHFFFAOYSA-N 2 2 247.386 2.978 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+](CCC1CCCCC1)C2 ZINC001207257440 968696287 /nfs/dbraw/zinc/69/62/87/968696287.db2.gz VZKAEOKWHBFTGM-UHFFFAOYSA-N 2 2 247.386 2.978 20 0 BFADLP CC[N@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)C1CC[NH+](C)CC1 ZINC001207626568 968841033 /nfs/dbraw/zinc/84/10/33/968841033.db2.gz HMDVIHLHSBQVKA-ZNMIVQPWSA-N 2 2 248.414 2.615 20 0 BFADLP CC[N@@H+](C[C@@H]1C[C@H]2C=C[C@@H]1C2)C1CC[NH+](C)CC1 ZINC001207626568 968841037 /nfs/dbraw/zinc/84/10/37/968841037.db2.gz HMDVIHLHSBQVKA-ZNMIVQPWSA-N 2 2 248.414 2.615 20 0 BFADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCCC13CC3)C2 ZINC001169148497 969460444 /nfs/dbraw/zinc/46/04/44/969460444.db2.gz ZPJSIJUPDGPLKS-BTTYYORXSA-N 2 2 234.387 2.630 20 0 BFADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCCCC13CC3)C2 ZINC001169148497 969460449 /nfs/dbraw/zinc/46/04/49/969460449.db2.gz ZPJSIJUPDGPLKS-BTTYYORXSA-N 2 2 234.387 2.630 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@@H+]1CCCCC13CC3)C2 ZINC001169148497 969460455 /nfs/dbraw/zinc/46/04/55/969460455.db2.gz ZPJSIJUPDGPLKS-BTTYYORXSA-N 2 2 234.387 2.630 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@H]([N@H+]1CCCCC13CC3)C2 ZINC001169148497 969460466 /nfs/dbraw/zinc/46/04/66/969460466.db2.gz ZPJSIJUPDGPLKS-BTTYYORXSA-N 2 2 234.387 2.630 20 0 BFADLP Cc1ccc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)[nH+]1 ZINC001254238587 969547846 /nfs/dbraw/zinc/54/78/46/969547846.db2.gz UBWMOVGUHVFGGG-ZUZCIYMTSA-N 2 2 245.370 2.593 20 0 BFADLP Cc1ccc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)[nH+]1 ZINC001254238587 969547853 /nfs/dbraw/zinc/54/78/53/969547853.db2.gz UBWMOVGUHVFGGG-ZUZCIYMTSA-N 2 2 245.370 2.593 20 0 BFADLP CCC(CC)[N@H+](CC)Cc1c[nH+]ccc1N ZINC001209738224 969600215 /nfs/dbraw/zinc/60/02/15/969600215.db2.gz WMBFYIVCIYPRKG-UHFFFAOYSA-N 2 2 221.348 2.505 20 0 BFADLP CCC(CC)[N@@H+](CC)Cc1c[nH+]ccc1N ZINC001209738224 969600219 /nfs/dbraw/zinc/60/02/19/969600219.db2.gz WMBFYIVCIYPRKG-UHFFFAOYSA-N 2 2 221.348 2.505 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+](C1CCC3(CC3)CC1)C2 ZINC001254442104 969632947 /nfs/dbraw/zinc/63/29/47/969632947.db2.gz CPDBYFFZLKOMFN-UHFFFAOYSA-N 2 2 245.370 2.730 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+](C1CCC3(CC3)CC1)C2 ZINC001254442104 969632951 /nfs/dbraw/zinc/63/29/51/969632951.db2.gz CPDBYFFZLKOMFN-UHFFFAOYSA-N 2 2 245.370 2.730 20 0 BFADLP CCOc1cc[nH+]cc1Nc1c[nH+]c(N)cc1C ZINC001209966692 969731925 /nfs/dbraw/zinc/73/19/25/969731925.db2.gz CTMZMUZWTPEVLH-UHFFFAOYSA-N 2 2 244.298 2.510 20 0 BFADLP Cc1ccccc1C[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254830856 969793025 /nfs/dbraw/zinc/79/30/25/969793025.db2.gz IEVWVAFYWZIJEF-INIZCTEOSA-N 2 2 244.382 2.569 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CCCC1 ZINC001254840033 969801488 /nfs/dbraw/zinc/80/14/88/969801488.db2.gz AHROMVDCGUNDDQ-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839881 969802385 /nfs/dbraw/zinc/80/23/85/969802385.db2.gz XHYBIOWBDKRXOL-UKRRQHHQSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841684 969804251 /nfs/dbraw/zinc/80/42/51/969804251.db2.gz ZNIJANHRRURWRY-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP C1CC2(CCCCC2)[N@@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254854616 969807795 /nfs/dbraw/zinc/80/77/95/969807795.db2.gz GIPDFZKHBJIRNY-HNNXBMFYSA-N 2 2 248.414 2.879 20 0 BFADLP C1CC2(CCCCC2)[N@H+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254854616 969807799 /nfs/dbraw/zinc/80/77/99/969807799.db2.gz GIPDFZKHBJIRNY-HNNXBMFYSA-N 2 2 248.414 2.879 20 0 BFADLP C[NH2+]CC1C[NH+](Cc2ccc(CC(C)C)cc2)C1 ZINC001210560942 969940851 /nfs/dbraw/zinc/94/08/51/969940851.db2.gz GICYEPCHUITMAT-UHFFFAOYSA-N 2 2 246.398 2.536 20 0 BFADLP CCCC[C@H](C)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001255319280 970093211 /nfs/dbraw/zinc/09/32/11/970093211.db2.gz HIXBNNCQQYKIGJ-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](C)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001255319280 970093224 /nfs/dbraw/zinc/09/32/24/970093224.db2.gz HIXBNNCQQYKIGJ-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP C[NH2+]Cc1ccc(Nc2[nH+]cccc2C)cc1 ZINC001211127598 970154343 /nfs/dbraw/zinc/15/43/43/970154343.db2.gz PRQKTGZLMUGGOB-UHFFFAOYSA-N 2 2 227.311 2.853 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001170117840 970347501 /nfs/dbraw/zinc/34/75/01/970347501.db2.gz NZORXWZJJBVPSP-HZSPNIEDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001170117840 970347513 /nfs/dbraw/zinc/34/75/13/970347513.db2.gz NZORXWZJJBVPSP-HZSPNIEDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001170123534 970364547 /nfs/dbraw/zinc/36/45/47/970364547.db2.gz CPNBYDQKZULYIM-AAEUAGOBSA-N 2 2 229.327 2.613 20 0 BFADLP CC(C)[N@H+]([C@H]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC001170158322 970490415 /nfs/dbraw/zinc/49/04/15/970490415.db2.gz NTNWILGOLUGYRS-HIFRSBDPSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@@H+]([C@H]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC001170158322 970490428 /nfs/dbraw/zinc/49/04/28/970490428.db2.gz NTNWILGOLUGYRS-HIFRSBDPSA-N 2 2 238.419 2.980 20 0 BFADLP c1cc(OCC[NH2+]C2CCCCCC2)cc[nH+]1 ZINC001255886974 970547940 /nfs/dbraw/zinc/54/79/40/970547940.db2.gz KSASFAYEARXYGU-UHFFFAOYSA-N 2 2 234.343 2.773 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)C1CCCCCC1 ZINC001255893831 970560662 /nfs/dbraw/zinc/56/06/62/970560662.db2.gz PIPPDIJSZAYIDN-UHFFFAOYSA-N 2 2 235.375 2.928 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)C1CCCCCC1 ZINC001255893831 970560668 /nfs/dbraw/zinc/56/06/68/970560668.db2.gz PIPPDIJSZAYIDN-UHFFFAOYSA-N 2 2 235.375 2.928 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]CCSC(C)C ZINC000304275815 970572460 /nfs/dbraw/zinc/57/24/60/970572460.db2.gz LJAWNAYKLLAOMK-ZDUSSCGKSA-N 2 2 246.464 2.694 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1ccncc1 ZINC001255957350 970596067 /nfs/dbraw/zinc/59/60/67/970596067.db2.gz QSWTVKLFRYDMLC-AWEZNQCLSA-N 2 2 249.402 2.634 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1ccncc1 ZINC001255957350 970596074 /nfs/dbraw/zinc/59/60/74/970596074.db2.gz QSWTVKLFRYDMLC-AWEZNQCLSA-N 2 2 249.402 2.634 20 0 BFADLP C[C@@H]1[C@@H](C)CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256077474 970646697 /nfs/dbraw/zinc/64/66/97/970646697.db2.gz ONBPZINBBHMLNM-QWHCGFSZSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1[C@@H](C)CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256077474 970646706 /nfs/dbraw/zinc/64/67/06/970646706.db2.gz ONBPZINBBHMLNM-QWHCGFSZSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC001256077470 970647838 /nfs/dbraw/zinc/64/78/38/970647838.db2.gz ONBPZINBBHMLNM-CHWSQXEVSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)[C@@H]1C ZINC001256077470 970647845 /nfs/dbraw/zinc/64/78/45/970647845.db2.gz ONBPZINBBHMLNM-CHWSQXEVSA-N 2 2 236.403 2.734 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256080516 970648576 /nfs/dbraw/zinc/64/85/76/970648576.db2.gz YFKHRBLNASBWCP-ZDUSSCGKSA-N 2 2 236.403 2.878 20 0 BFADLP CC[C@H]1CCCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256080516 970648587 /nfs/dbraw/zinc/64/85/87/970648587.db2.gz YFKHRBLNASBWCP-ZDUSSCGKSA-N 2 2 236.403 2.878 20 0 BFADLP C[C@H]1CCC[N@H+](C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC001256077476 970650508 /nfs/dbraw/zinc/65/05/08/970650508.db2.gz ONBPZINBBHMLNM-STQMWFEESA-N 2 2 236.403 2.734 20 0 BFADLP C[C@H]1CCC[N@@H+](C2CC[NH+](C3CC3)CC2)[C@H]1C ZINC001256077476 970650512 /nfs/dbraw/zinc/65/05/12/970650512.db2.gz ONBPZINBBHMLNM-STQMWFEESA-N 2 2 236.403 2.734 20 0 BFADLP CC[NH+]1CCC(OCc2cc(C)[nH+]c(C)c2)CC1 ZINC001223420241 973056744 /nfs/dbraw/zinc/05/67/44/973056744.db2.gz JTGFWOASNTXAII-UHFFFAOYSA-N 2 2 248.370 2.699 20 0 BFADLP Cc1[nH+]cn([C@@H]2CC[C@H](C)[C@@H](C)C2)c1CC[NH3+] ZINC001172357677 974627125 /nfs/dbraw/zinc/62/71/25/974627125.db2.gz AIUBZBDKAJOQMH-GMXVVIOVSA-N 2 2 235.375 2.690 20 0 BFADLP CC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001172384672 974729386 /nfs/dbraw/zinc/72/93/86/974729386.db2.gz VNGMXPUEIZUCQA-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001172384672 974729394 /nfs/dbraw/zinc/72/93/94/974729394.db2.gz VNGMXPUEIZUCQA-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC001173240176 975164400 /nfs/dbraw/zinc/16/44/00/975164400.db2.gz WKTWSLQBWYWLPT-KBPBESRZSA-N 2 2 248.414 2.720 20 0 BFADLP CC[C@@H]1CC[C@H]([N@@H+]2CCn3c(C)[nH+]cc3C2)C1 ZINC001173279142 975236630 /nfs/dbraw/zinc/23/66/30/975236630.db2.gz GYTGNEHLGQWHKJ-OLZOCXBDSA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@@H]1CC[C@H]([N@H+]2CCn3c(C)[nH+]cc3C2)C1 ZINC001173279142 975236638 /nfs/dbraw/zinc/23/66/38/975236638.db2.gz GYTGNEHLGQWHKJ-OLZOCXBDSA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@@H]1CC[C@@H]([N@H+](CC)CCn2cc[nH+]c2)C1 ZINC001173285268 975241886 /nfs/dbraw/zinc/24/18/86/975241886.db2.gz VKRPBPTTWLZONH-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H]1CC[C@@H]([N@@H+](CC)CCn2cc[nH+]c2)C1 ZINC001173285268 975241896 /nfs/dbraw/zinc/24/18/96/975241896.db2.gz VKRPBPTTWLZONH-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CSc1cc(Nc2cc[nH+]c(C)c2)cc[nH+]1 ZINC001174655199 976942303 /nfs/dbraw/zinc/94/23/03/976942303.db2.gz XJWPNWHOLHKTJB-UHFFFAOYSA-N 2 2 231.324 2.672 20 0 BFADLP Cc1ccc(C)c(Nc2cc[nH+]c(C)c2)[nH+]1 ZINC001174654235 976943090 /nfs/dbraw/zinc/94/30/90/976943090.db2.gz XNQJOKFYVGKNAL-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP Cc1ccc(C[NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001204174976 978146495 /nfs/dbraw/zinc/14/64/95/978146495.db2.gz JKZZJIRVPOLRLP-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001204174976 978146500 /nfs/dbraw/zinc/14/65/00/978146500.db2.gz JKZZJIRVPOLRLP-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001204174976 978146503 /nfs/dbraw/zinc/14/65/03/978146503.db2.gz JKZZJIRVPOLRLP-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)cc1 ZINC001204174976 978146508 /nfs/dbraw/zinc/14/65/08/978146508.db2.gz JKZZJIRVPOLRLP-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP CC1(C)CCC[C@@H](C[NH2+]CCn2cc[nH+]c2)C1 ZINC001177081838 978279459 /nfs/dbraw/zinc/27/94/59/978279459.db2.gz SBHLIQLEIGVKCE-CYBMUJFWSA-N 2 2 235.375 2.689 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CC[C@@H]3CCC[C@@H]3C2)c(C)[nH+]1 ZINC001234608862 978872951 /nfs/dbraw/zinc/87/29/51/978872951.db2.gz MCNMPJKMHQFJNW-QWHCGFSZSA-N 2 2 233.359 2.649 20 0 BFADLP Cc1[nH]c(C[N@H+]2CC[C@@H]3CCC[C@@H]3C2)c(C)[nH+]1 ZINC001234608862 978872953 /nfs/dbraw/zinc/87/29/53/978872953.db2.gz MCNMPJKMHQFJNW-QWHCGFSZSA-N 2 2 233.359 2.649 20 0 BFADLP CC1=CC[C@H](CC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]32)C1(C)C ZINC001235214549 978999370 /nfs/dbraw/zinc/99/93/70/978999370.db2.gz XCNGUTFLHABOEM-RBSFLKMASA-N 2 2 248.414 2.663 20 0 BFADLP CC1=CC[C@H](CC[N@H+]2C[C@H]3CC[NH2+]C[C@H]32)C1(C)C ZINC001235214549 978999374 /nfs/dbraw/zinc/99/93/74/978999374.db2.gz XCNGUTFLHABOEM-RBSFLKMASA-N 2 2 248.414 2.663 20 0 BFADLP CCCCc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235363548 979033336 /nfs/dbraw/zinc/03/33/36/979033336.db2.gz RNRRIFDBCFRUOB-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CCCCc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235363548 979033339 /nfs/dbraw/zinc/03/33/39/979033339.db2.gz RNRRIFDBCFRUOB-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](CCCCCc2ccccc2)C1 ZINC001235828907 979165418 /nfs/dbraw/zinc/16/54/18/979165418.db2.gz LFUMUFGVTJGWIV-MRXNPFEDSA-N 2 2 246.398 2.693 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](CCCCCc2ccccc2)C1 ZINC001235828907 979165424 /nfs/dbraw/zinc/16/54/24/979165424.db2.gz LFUMUFGVTJGWIV-MRXNPFEDSA-N 2 2 246.398 2.693 20 0 BFADLP CCc1cccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c1 ZINC001235907954 979205533 /nfs/dbraw/zinc/20/55/33/979205533.db2.gz VIWXWONZHOFXDQ-WFASDCNBSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1cccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)c1 ZINC001235907954 979205539 /nfs/dbraw/zinc/20/55/39/979205539.db2.gz VIWXWONZHOFXDQ-WFASDCNBSA-N 2 2 232.371 2.561 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236059355 979349232 /nfs/dbraw/zinc/34/92/32/979349232.db2.gz GAQIRTYIMGIQOQ-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236059355 979349239 /nfs/dbraw/zinc/34/92/39/979349239.db2.gz GAQIRTYIMGIQOQ-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+](CC[NH2+]C)Cc1ccc2cccccc1-2 ZINC001236146061 979415284 /nfs/dbraw/zinc/41/52/84/979415284.db2.gz UWBXQFGNRKJENC-UHFFFAOYSA-N 2 2 242.366 2.833 20 0 BFADLP CC[N@@H+](CC[NH2+]C)Cc1ccc2cccccc1-2 ZINC001236146061 979415289 /nfs/dbraw/zinc/41/52/89/979415289.db2.gz UWBXQFGNRKJENC-UHFFFAOYSA-N 2 2 242.366 2.833 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC001236200575 979446567 /nfs/dbraw/zinc/44/65/67/979446567.db2.gz IDDSBDJEYNHDOU-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c(C)c1 ZINC001236200575 979446573 /nfs/dbraw/zinc/44/65/73/979446573.db2.gz IDDSBDJEYNHDOU-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP c1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]2)C2CCC2)cc1 ZINC001236441525 979600074 /nfs/dbraw/zinc/60/00/74/979600074.db2.gz LABCDZSNARQZKL-HNNXBMFYSA-N 2 2 244.382 2.793 20 0 BFADLP c1ccc(C[N@H+](C[C@@H]2CCC[NH2+]2)C2CCC2)cc1 ZINC001236441525 979600079 /nfs/dbraw/zinc/60/00/79/979600079.db2.gz LABCDZSNARQZKL-HNNXBMFYSA-N 2 2 244.382 2.793 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2c1cccc2C ZINC001236866209 979772175 /nfs/dbraw/zinc/77/21/75/979772175.db2.gz WHZDWAFPKJUSNZ-ZDUSSCGKSA-N 2 2 245.370 2.645 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2c1cccc2C ZINC001236866209 979772179 /nfs/dbraw/zinc/77/21/79/979772179.db2.gz WHZDWAFPKJUSNZ-ZDUSSCGKSA-N 2 2 245.370 2.645 20 0 BFADLP CCCc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC)s1 ZINC001236867822 979772698 /nfs/dbraw/zinc/77/26/98/979772698.db2.gz BSEUKRLBIFVKOO-NSHDSACASA-N 2 2 240.416 2.870 20 0 BFADLP CCCc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC)s1 ZINC001236867822 979772713 /nfs/dbraw/zinc/77/27/13/979772713.db2.gz BSEUKRLBIFVKOO-NSHDSACASA-N 2 2 240.416 2.870 20 0 BFADLP Cc1c2ccccc2sc1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236894816 979784527 /nfs/dbraw/zinc/78/45/27/979784527.db2.gz DXOPIOKZGLAQFC-JTQLQIEISA-N 2 2 248.395 2.989 20 0 BFADLP Cc1c2ccccc2sc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236894816 979784520 /nfs/dbraw/zinc/78/45/20/979784520.db2.gz DXOPIOKZGLAQFC-JTQLQIEISA-N 2 2 248.395 2.989 20 0 BFADLP Cn1c[nH+]cc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC001240050843 981110764 /nfs/dbraw/zinc/11/07/64/981110764.db2.gz JQXRESRXONWTOX-UHFFFAOYSA-N 2 2 241.338 2.683 20 0 BFADLP [NH3+]CCc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001240218598 981171282 /nfs/dbraw/zinc/17/12/82/981171282.db2.gz FZQOBMURAZVEST-UHFFFAOYSA-N 2 2 237.306 2.503 20 0 BFADLP Nc1cc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cc[nH+]1 ZINC001241169900 982312621 /nfs/dbraw/zinc/31/26/21/982312621.db2.gz ARLVVNWGGWXRTD-AWEZNQCLSA-N 2 2 239.322 2.755 20 0 BFADLP Cc1csc(C[N@@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205815813 982628158 /nfs/dbraw/zinc/62/81/58/982628158.db2.gz IAGLKWHTQXGAST-JQWIXIFHSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1csc(C[N@H+]2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205815813 982628165 /nfs/dbraw/zinc/62/81/65/982628165.db2.gz IAGLKWHTQXGAST-JQWIXIFHSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1c(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ccc2[nH+]ccn21 ZINC001242027825 983239636 /nfs/dbraw/zinc/23/96/36/983239636.db2.gz MWZWQTDXLPAERW-OLZOCXBDSA-N 2 2 239.322 2.550 20 0 BFADLP CC[C@H](C)C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001201502759 983270225 /nfs/dbraw/zinc/27/02/25/983270225.db2.gz QFQAEHGHTGIRHU-ZDUSSCGKSA-N 2 2 248.370 2.971 20 0 BFADLP CCC[C@H](C)C[N@H+](CC)CCn1cc[nH+]c1 ZINC001201552226 983307903 /nfs/dbraw/zinc/30/79/03/983307903.db2.gz BXEISOZJJFNILF-ZDUSSCGKSA-N 2 2 223.364 2.641 20 0 BFADLP CCC[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201652869 983405253 /nfs/dbraw/zinc/40/52/53/983405253.db2.gz WFHWHDPOHPUJDO-UHFFFAOYSA-N 2 2 224.392 2.735 20 0 BFADLP CCC[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201652869 983405256 /nfs/dbraw/zinc/40/52/56/983405256.db2.gz WFHWHDPOHPUJDO-UHFFFAOYSA-N 2 2 224.392 2.735 20 0 BFADLP Cc1cc2[nH+]ccn2cc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242675993 984044557 /nfs/dbraw/zinc/04/45/57/984044557.db2.gz PLYBVBSBFBORDW-UHFFFAOYSA-N 2 2 249.317 2.913 20 0 BFADLP C/C(=C\C=C\[NH3+])C1=CC[C@H]([NH+]2CCCC2)CC1 ZINC001242691499 984049880 /nfs/dbraw/zinc/04/98/80/984049880.db2.gz HRWXSIXFTKDIJO-QNOHRXFASA-N 2 2 232.371 2.980 20 0 BFADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@@H]2CC[NH2+]2)c(C)c1 ZINC001579571447 984290200 /nfs/dbraw/zinc/29/02/00/984290200.db2.gz FNZDXBDWKVIHLB-XVWMLYKFSA-N 2 2 244.382 2.577 20 0 BFADLP CC[N@@H+](C/C=C\c1c(C)cc(C)cc1C)CC[NH3+] ZINC001577711038 984656494 /nfs/dbraw/zinc/65/64/94/984656494.db2.gz NUZJPSMEPGQYRS-SREVYHEPSA-N 2 2 246.398 2.906 20 0 BFADLP CC[N@H+](C/C=C\c1c(C)cc(C)cc1C)CC[NH3+] ZINC001577711038 984656526 /nfs/dbraw/zinc/65/65/26/984656526.db2.gz NUZJPSMEPGQYRS-SREVYHEPSA-N 2 2 246.398 2.906 20 0 BFADLP CCC[C@H](CC)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001257261081 984861204 /nfs/dbraw/zinc/86/12/04/984861204.db2.gz FTOCCXIHMSQWGZ-ZDUSSCGKSA-N 2 2 226.408 2.981 20 0 BFADLP CCC[C@H](CC)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001257261081 984861205 /nfs/dbraw/zinc/86/12/05/984861205.db2.gz FTOCCXIHMSQWGZ-ZDUSSCGKSA-N 2 2 226.408 2.981 20 0 BFADLP CCC[C@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001257326231 984896307 /nfs/dbraw/zinc/89/63/07/984896307.db2.gz UHSOCLMUUMIFPR-NWDGAFQWSA-N 2 2 221.348 2.711 20 0 BFADLP CC[C@@H](C)[NH2+]CC1CCN(c2cccc[nH+]2)CC1 ZINC001257431183 985002754 /nfs/dbraw/zinc/00/27/54/985002754.db2.gz XQDKPDLZBSOSKK-CYBMUJFWSA-N 2 2 247.386 2.686 20 0 BFADLP Cc1ccc(-c2ccc[nH+]c2N)c(C[NH+](C)C)c1 ZINC001243477130 985035845 /nfs/dbraw/zinc/03/58/45/985035845.db2.gz JLTLSWKAKOIIEP-UHFFFAOYSA-N 2 2 241.338 2.701 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]CCc1[nH+]ccn1C ZINC001258086533 985390515 /nfs/dbraw/zinc/39/05/15/985390515.db2.gz UMVIOPHXUMFYOK-CYBMUJFWSA-N 2 2 235.375 2.687 20 0 BFADLP c1cn(-c2ccc(C3=C[NH2+]CCC3)cc2)c[nH+]1 ZINC001243952218 985663066 /nfs/dbraw/zinc/66/30/66/985663066.db2.gz HLSRFIFACGWFBI-UHFFFAOYSA-N 2 2 225.295 2.597 20 0 BFADLP CCC[C@H](C)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001460966173 985968537 /nfs/dbraw/zinc/96/85/37/985968537.db2.gz RBIRSYLXZJZMAH-LBPRGKRZSA-N 2 2 235.375 2.788 20 0 BFADLP Cc1cc(C)cc(C2=CC[N@H+](C[C@H](C)[NH3+])CC2)c1 ZINC001579579865 986095448 /nfs/dbraw/zinc/09/54/48/986095448.db2.gz LKRHRXUCAIBYIM-AWEZNQCLSA-N 2 2 244.382 2.740 20 0 BFADLP Cc1cc(C)cc(C2=CC[N@@H+](C[C@H](C)[NH3+])CC2)c1 ZINC001579579865 986095461 /nfs/dbraw/zinc/09/54/61/986095461.db2.gz LKRHRXUCAIBYIM-AWEZNQCLSA-N 2 2 244.382 2.740 20 0 BFADLP Cc1cc(C)c(/C=C\C[NH2+]C[C@H]2CC[NH2+]2)c(C)c1 ZINC001579571444 986096144 /nfs/dbraw/zinc/09/61/44/986096144.db2.gz FNZDXBDWKVIHLB-FOSCPCJNSA-N 2 2 244.382 2.577 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]CC[C@H]2CC=CCC2)C1 ZINC001462503852 986408463 /nfs/dbraw/zinc/40/84/63/986408463.db2.gz NBCUTXMAVKTAQD-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]CC[C@H]2CC=CCC2)C1 ZINC001462503852 986408470 /nfs/dbraw/zinc/40/84/70/986408470.db2.gz NBCUTXMAVKTAQD-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP C/C(=C\C=C\[NH3+])c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001245350985 986817434 /nfs/dbraw/zinc/81/74/34/986817434.db2.gz QGQWVEIJRUHOFZ-KHSVWPLBSA-N 2 2 228.339 2.987 20 0 BFADLP C/C(=C\C=C\[NH3+])c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001245350984 986818211 /nfs/dbraw/zinc/81/82/11/986818211.db2.gz QGQWVEIJRUHOFZ-BRMDSQJPSA-N 2 2 228.339 2.987 20 0 BFADLP Cc1cc(-c2ccccc2C(C)(C)[NH3+])c[nH+]c1N ZINC001245540028 986923608 /nfs/dbraw/zinc/92/36/08/986923608.db2.gz LNVFKTMXFMRIPF-UHFFFAOYSA-N 2 2 241.338 2.833 20 0 BFADLP Cc1cc(-c2ccc(C(C)(C)[NH3+])cc2)c[nH+]c1N ZINC001245539693 986924464 /nfs/dbraw/zinc/92/44/64/986924464.db2.gz JJHYCMOXTKTJJC-UHFFFAOYSA-N 2 2 241.338 2.833 20 0 BFADLP Cc1cc(-c2ccc3c(c2)[C@@H]([NH3+])CC3)c[nH+]c1N ZINC001245541731 986929712 /nfs/dbraw/zinc/92/97/12/986929712.db2.gz XMZMJYNAWNQPEP-AWEZNQCLSA-N 2 2 239.322 2.585 20 0 BFADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCCCCC3)C[C@@H]21 ZINC001255894037 987079947 /nfs/dbraw/zinc/07/99/47/987079947.db2.gz QZGIPACVGSEAOC-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCCCCC3)C[C@@H]21 ZINC001255894037 987079957 /nfs/dbraw/zinc/07/99/57/987079957.db2.gz QZGIPACVGSEAOC-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCCCCC3)C[C@@H]21 ZINC001255894037 987079969 /nfs/dbraw/zinc/07/99/69/987079969.db2.gz QZGIPACVGSEAOC-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCCCCC3)C[C@@H]21 ZINC001255894037 987079979 /nfs/dbraw/zinc/07/99/79/987079979.db2.gz QZGIPACVGSEAOC-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000695683947 987333851 /nfs/dbraw/zinc/33/38/51/987333851.db2.gz QXJQRYLDEZBPBM-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000695683947 987333864 /nfs/dbraw/zinc/33/38/64/987333864.db2.gz QXJQRYLDEZBPBM-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246087636 987390878 /nfs/dbraw/zinc/39/08/78/987390878.db2.gz PMPFAARYWOKKKS-XQQFMLRXSA-N 2 2 230.371 2.635 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]C(C)(C)c2ccccc2)C[NH2+]1 ZINC001246094717 987404839 /nfs/dbraw/zinc/40/48/39/987404839.db2.gz XTVNPHXQXRQXJS-GXTWGEPZSA-N 2 2 232.371 2.652 20 0 BFADLP CCC(CC)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246171079 987540516 /nfs/dbraw/zinc/54/05/16/987540516.db2.gz QGAIVZGHPKYLDG-UHFFFAOYSA-N 2 2 220.360 2.554 20 0 BFADLP c1cn(CCC[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC001116485990 987600925 /nfs/dbraw/zinc/60/09/25/987600925.db2.gz YKYCCWARIDZOBS-GJZGRUSLSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@H+]2CC[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC001116485990 987600928 /nfs/dbraw/zinc/60/09/28/987600928.db2.gz YKYCCWARIDZOBS-GJZGRUSLSA-N 2 2 247.386 2.785 20 0 BFADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246220374 987617341 /nfs/dbraw/zinc/61/73/41/987617341.db2.gz JOSDHQCYLYLZJX-RMEBNNNOSA-N 2 2 238.419 2.789 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+][C@H](C)C2)cc1C ZINC001246307801 987707534 /nfs/dbraw/zinc/70/75/34/987707534.db2.gz OPGZQQFUGHFLDB-VNHYZAJKSA-N 2 2 232.371 2.704 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])c2ccccc2)C1 ZINC001246315677 987719143 /nfs/dbraw/zinc/71/91/43/987719143.db2.gz KCQRLZXZDSHISG-QEJZJMRPSA-N 2 2 232.371 2.855 20 0 BFADLP c1cc2ccc(C[NH2+][C@H]3CCCC[NH2+]C3)cc2o1 ZINC001246325294 987731320 /nfs/dbraw/zinc/73/13/20/987731320.db2.gz IYULJFYIGMOSDR-AWEZNQCLSA-N 2 2 244.338 2.665 20 0 BFADLP CCCCC[C@H](CC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246337992 987746570 /nfs/dbraw/zinc/74/65/70/987746570.db2.gz VYNPHFAELBUBHK-STQMWFEESA-N 2 2 244.448 2.640 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC001246436935 987798971 /nfs/dbraw/zinc/79/89/71/987798971.db2.gz BTRGOSHRTSZNAX-KBPBESRZSA-N 2 2 246.398 2.960 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001474745561 987816718 /nfs/dbraw/zinc/81/67/18/987816718.db2.gz SAHRHCVUCJXGHL-AWEZNQCLSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)CC1 ZINC001474745561 987816724 /nfs/dbraw/zinc/81/67/24/987816724.db2.gz SAHRHCVUCJXGHL-AWEZNQCLSA-N 2 2 236.403 2.807 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2C[NH2+][C@@H](C)C2)c1C ZINC001246476782 987835050 /nfs/dbraw/zinc/83/50/50/987835050.db2.gz VOCCFLUFAGCKDN-IACUBPJLSA-N 2 2 232.371 2.704 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C[NH2+]1 ZINC001246499397 987852732 /nfs/dbraw/zinc/85/27/32/987852732.db2.gz XXLDMMIDYKHMPN-IVMMDQJWSA-N 2 2 244.382 2.794 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)CCC2 ZINC001246498905 987853494 /nfs/dbraw/zinc/85/34/94/987853494.db2.gz KQJIDBATTRVFRP-JGGQBBKZSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+][C@H](C[NH3+])c2ccccc2)C1 ZINC001246506784 987858512 /nfs/dbraw/zinc/85/85/12/987858512.db2.gz KCQRLZXZDSHISG-AEGPPILISA-N 2 2 232.371 2.855 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[N@@H+]1CCC[NH2+]C[C@@H]1C ZINC001246568685 988036809 /nfs/dbraw/zinc/03/68/09/988036809.db2.gz AMDTWWADBJFCOH-HZSPNIEDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001246568685 988036824 /nfs/dbraw/zinc/03/68/24/988036824.db2.gz AMDTWWADBJFCOH-HZSPNIEDSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](CCC)[N@@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246583648 988128133 /nfs/dbraw/zinc/12/81/33/988128133.db2.gz KHAXCQPLCANLLX-AVGNSLFASA-N 2 2 230.371 2.716 20 0 BFADLP CCCC[C@H](CCC)[N@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246583648 988128139 /nfs/dbraw/zinc/12/81/39/988128139.db2.gz KHAXCQPLCANLLX-AVGNSLFASA-N 2 2 230.371 2.716 20 0 BFADLP C[C@H]1C[N@@H+]([C@H]2CC[C@H](C)[NH2+]C2)Cc2ccccc21 ZINC001246597419 988198418 /nfs/dbraw/zinc/19/84/18/988198418.db2.gz LZIVTDCYZCXGKN-YDHLFZDLSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@H]1C[N@H+]([C@H]2CC[C@H](C)[NH2+]C2)Cc2ccccc21 ZINC001246597419 988198426 /nfs/dbraw/zinc/19/84/26/988198426.db2.gz LZIVTDCYZCXGKN-YDHLFZDLSA-N 2 2 244.382 2.746 20 0 BFADLP CC(C)CCC[C@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652587 988379576 /nfs/dbraw/zinc/37/95/76/988379576.db2.gz GDSABRCMWJBVLH-MELADBBJSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)CCC[C@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652587 988379592 /nfs/dbraw/zinc/37/95/92/988379592.db2.gz GDSABRCMWJBVLH-MELADBBJSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667439 988410934 /nfs/dbraw/zinc/41/09/34/988410934.db2.gz ZEIUJCIXBBOJJR-KBUPBQIOSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667439 988410943 /nfs/dbraw/zinc/41/09/43/988410943.db2.gz ZEIUJCIXBBOJJR-KBUPBQIOSA-N 2 2 238.419 2.741 20 0 BFADLP CCC[N@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246779859 988463424 /nfs/dbraw/zinc/46/34/24/988463424.db2.gz VFQIEOGVGCNPHS-HIFRSBDPSA-N 2 2 232.371 2.649 20 0 BFADLP CCC[N@@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246779859 988463438 /nfs/dbraw/zinc/46/34/38/988463438.db2.gz VFQIEOGVGCNPHS-HIFRSBDPSA-N 2 2 232.371 2.649 20 0 BFADLP CC(C)C[C@@H](C)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001323669113 988577064 /nfs/dbraw/zinc/57/70/64/988577064.db2.gz QHHCAGJJXJEVKJ-HUUCEWRRSA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@@H](C)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001323669113 988577082 /nfs/dbraw/zinc/57/70/82/988577082.db2.gz QHHCAGJJXJEVKJ-HUUCEWRRSA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@@H](C)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001323669113 988577090 /nfs/dbraw/zinc/57/70/90/988577090.db2.gz QHHCAGJJXJEVKJ-HUUCEWRRSA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@@H](C)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001323669113 988577116 /nfs/dbraw/zinc/57/71/16/988577116.db2.gz QHHCAGJJXJEVKJ-HUUCEWRRSA-N 2 2 238.419 2.839 20 0 BFADLP C1[C@@H]2C[NH2+]C[C@H]2[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246919517 988726533 /nfs/dbraw/zinc/72/65/33/988726533.db2.gz NKZSBZOCUINOBX-DZGCQCFKSA-N 2 2 248.414 2.783 20 0 BFADLP C1[C@@H]2C[NH2+]C[C@H]2[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246919517 988726556 /nfs/dbraw/zinc/72/65/56/988726556.db2.gz NKZSBZOCUINOBX-DZGCQCFKSA-N 2 2 248.414 2.783 20 0 BFADLP CC[C@@H](C)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246981724 988796375 /nfs/dbraw/zinc/79/63/75/988796375.db2.gz XODPVMRMGHYRRK-TZMCWYRMSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@@H](C)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246981724 988796389 /nfs/dbraw/zinc/79/63/89/988796389.db2.gz XODPVMRMGHYRRK-TZMCWYRMSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+](C)[C@H]2CCc3ccccc32)C[NH2+]1 ZINC001247002339 988835706 /nfs/dbraw/zinc/83/57/06/988835706.db2.gz SYQRKSOWAPAAIE-INWMFGNUSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+](C)[C@H]2CCc3ccccc32)C[NH2+]1 ZINC001247002339 988835710 /nfs/dbraw/zinc/83/57/10/988835710.db2.gz SYQRKSOWAPAAIE-INWMFGNUSA-N 2 2 244.382 2.746 20 0 BFADLP CCCCc1ccc2[nH]c(CCC[NH3+])[nH+]c2c1 ZINC001247012071 988838946 /nfs/dbraw/zinc/83/89/46/988838946.db2.gz MSMWCSQINXUZOK-UHFFFAOYSA-N 2 2 231.343 2.797 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1CCc2cc(C)ccc21 ZINC001326038160 989336749 /nfs/dbraw/zinc/33/67/49/989336749.db2.gz ZYTGBMYQAMTGCN-HNNXBMFYSA-N 2 2 232.371 2.572 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001258066603 990960265 /nfs/dbraw/zinc/96/02/65/990960265.db2.gz PISHWYDKDCDGNK-STQMWFEESA-N 2 2 226.408 2.598 20 0 BFADLP CC1(C[NH3+])C[NH+](Cc2ccc3ccsc3c2)C1 ZINC001206729947 991122535 /nfs/dbraw/zinc/12/25/35/991122535.db2.gz LYRHOFIPUROSAA-UHFFFAOYSA-N 2 2 246.379 2.682 20 0 BFADLP C1[C@@H]2CCC[C@@H]2[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001308839016 991168995 /nfs/dbraw/zinc/16/89/95/991168995.db2.gz AEQIZJNCWGCEMF-QXKUPLGCSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2CCC[C@@H]2[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001308839016 991169007 /nfs/dbraw/zinc/16/90/07/991169007.db2.gz AEQIZJNCWGCEMF-QXKUPLGCSA-N 2 2 248.414 2.782 20 0 BFADLP CSC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001258314085 991240075 /nfs/dbraw/zinc/24/00/75/991240075.db2.gz AUMHVAFLOGEACL-NEPJUHHUSA-N 2 2 244.448 2.590 20 0 BFADLP CSC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001258314085 991240086 /nfs/dbraw/zinc/24/00/86/991240086.db2.gz AUMHVAFLOGEACL-NEPJUHHUSA-N 2 2 244.448 2.590 20 0 BFADLP CSC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001258314088 991240701 /nfs/dbraw/zinc/24/07/01/991240701.db2.gz AUMHVAFLOGEACL-VXGBXAGGSA-N 2 2 244.448 2.590 20 0 BFADLP CSC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001258314088 991240711 /nfs/dbraw/zinc/24/07/11/991240711.db2.gz AUMHVAFLOGEACL-VXGBXAGGSA-N 2 2 244.448 2.590 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C)CC(C)(C)SC ZINC001258319208 991242982 /nfs/dbraw/zinc/24/29/82/991242982.db2.gz JMLKLOGWFJDERU-LBPRGKRZSA-N 2 2 246.464 2.838 20 0 BFADLP CSC(C)(C)C[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC001258318624 991243897 /nfs/dbraw/zinc/24/38/97/991243897.db2.gz GOXMVHDKCXLVDH-LBPRGKRZSA-N 2 2 244.448 2.592 20 0 BFADLP CC[N@H+]([C@H](C)CC1CC1)C1CC[NH+](C)CC1 ZINC001258461961 991420731 /nfs/dbraw/zinc/42/07/31/991420731.db2.gz GYQHWKUATHDSEK-GFCCVEGCSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@@H+]([C@H](C)CC1CC1)C1CC[NH+](C)CC1 ZINC001258461961 991420739 /nfs/dbraw/zinc/42/07/39/991420739.db2.gz GYQHWKUATHDSEK-GFCCVEGCSA-N 2 2 224.392 2.591 20 0 BFADLP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001474660037 991437849 /nfs/dbraw/zinc/43/78/49/991437849.db2.gz WOGDCILKLYFOOR-TUUVXOQKSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@@H]1CC[N@H+]1C1CCCC1 ZINC001474660037 991437853 /nfs/dbraw/zinc/43/78/53/991437853.db2.gz WOGDCILKLYFOOR-TUUVXOQKSA-N 2 2 248.414 2.782 20 0 BFADLP CC[N@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258606355 991521909 /nfs/dbraw/zinc/52/19/09/991521909.db2.gz VWYNXXBVJUDQCX-CQSZACIVSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@@H+]([C@@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258606355 991521919 /nfs/dbraw/zinc/52/19/19/991521919.db2.gz VWYNXXBVJUDQCX-CQSZACIVSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]1C[C@@H](n2cc[nH+]c2CC[NH3+])CC(C)(C)C1 ZINC001258686824 991616838 /nfs/dbraw/zinc/61/68/38/991616838.db2.gz KLQCBDITJQJCEG-VXGBXAGGSA-N 2 2 235.375 2.772 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001560920190 991651289 /nfs/dbraw/zinc/65/12/89/991651289.db2.gz YMPFHEXOIYHFIK-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H]2C[C@H]2CC(C)(C)C)C1 ZINC001560920190 991651302 /nfs/dbraw/zinc/65/13/02/991651302.db2.gz YMPFHEXOIYHFIK-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001258813361 991822296 /nfs/dbraw/zinc/82/22/96/991822296.db2.gz KBIGPNYJZIBVPP-IHRRRGAJSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001258813361 991822299 /nfs/dbraw/zinc/82/22/99/991822299.db2.gz KBIGPNYJZIBVPP-IHRRRGAJSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC001258813928 991826028 /nfs/dbraw/zinc/82/60/28/991826028.db2.gz MGHIBFWRYILUOZ-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC001258813928 991826035 /nfs/dbraw/zinc/82/60/35/991826035.db2.gz MGHIBFWRYILUOZ-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]c2c(n1[C@H]1CCC[C@H](C)C1)CC[NH2+]CC2 ZINC001258817875 991833081 /nfs/dbraw/zinc/83/30/81/991833081.db2.gz BWHGWYSUDYWFFT-AAEUAGOBSA-N 2 2 247.386 2.631 20 0 BFADLP CC[N@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001258824067 991844813 /nfs/dbraw/zinc/84/48/13/991844813.db2.gz QXUIEFYMFIRPFI-HIFRSBDPSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@H]1CCC[C@@H](C)C1 ZINC001258824067 991844824 /nfs/dbraw/zinc/84/48/24/991844824.db2.gz QXUIEFYMFIRPFI-HIFRSBDPSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C)C1 ZINC001258824065 991847192 /nfs/dbraw/zinc/84/71/92/991847192.db2.gz QXUIEFYMFIRPFI-DZGCQCFKSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@H](C)C1 ZINC001258824065 991847201 /nfs/dbraw/zinc/84/72/01/991847201.db2.gz QXUIEFYMFIRPFI-DZGCQCFKSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC001320637687 992285758 /nfs/dbraw/zinc/28/57/58/992285758.db2.gz NEWGMVPZPBPJOZ-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001262221483 992813064 /nfs/dbraw/zinc/81/30/64/992813064.db2.gz RYBMRKUFGAAIFZ-SOUVJXGZSA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001262221483 992813069 /nfs/dbraw/zinc/81/30/69/992813069.db2.gz RYBMRKUFGAAIFZ-SOUVJXGZSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001262221483 992813071 /nfs/dbraw/zinc/81/30/71/992813071.db2.gz RYBMRKUFGAAIFZ-SOUVJXGZSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001262221483 992813075 /nfs/dbraw/zinc/81/30/75/992813075.db2.gz RYBMRKUFGAAIFZ-SOUVJXGZSA-N 2 2 236.403 2.593 20 0 BFADLP CC(C)c1ccccc1C[NH2+]CC12CC(C1)C[NH2+]2 ZINC001575863650 993115987 /nfs/dbraw/zinc/11/59/87/993115987.db2.gz MHTZRIJYRQYGLZ-UHFFFAOYSA-N 2 2 244.382 2.652 20 0 BFADLP CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000381202979 993376944 /nfs/dbraw/zinc/37/69/44/993376944.db2.gz FPLMBRISHSOQAB-UHFFFAOYSA-N 2 2 233.340 2.576 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(C)cc1F ZINC001577397243 993641722 /nfs/dbraw/zinc/64/17/22/993641722.db2.gz SBDBCXBIEIYUEM-CYBMUJFWSA-N 2 2 238.350 2.741 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000702669377 994031662 /nfs/dbraw/zinc/03/16/62/994031662.db2.gz JHVSOLVEUWMOTG-CJNGLKHVSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000702669377 994031667 /nfs/dbraw/zinc/03/16/67/994031667.db2.gz JHVSOLVEUWMOTG-CJNGLKHVSA-N 2 2 246.398 2.807 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422941894 398159537 /nfs/dbraw/zinc/15/95/37/398159537.db2.gz VYMSABXLXXOGJM-APHBMKBZSA-N 2 2 244.382 2.712 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000422942613 398159611 /nfs/dbraw/zinc/15/96/11/398159611.db2.gz JJTZSTZPAZTEPI-IUODEOHRSA-N 2 2 244.382 2.751 20 0 BFADLP C[C@H]1CCCC[C@H]1[N@H+](C)CCCn1cc[nH+]c1 ZINC000119969332 398197153 /nfs/dbraw/zinc/19/71/53/398197153.db2.gz CQZNKVGAQROQEE-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H]1CCCC[C@H]1[N@@H+](C)CCCn1cc[nH+]c1 ZINC000119969332 398197155 /nfs/dbraw/zinc/19/71/55/398197155.db2.gz CQZNKVGAQROQEE-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CCC1CC1 ZINC000336750774 398202103 /nfs/dbraw/zinc/20/21/03/398202103.db2.gz ZTYQLPHNYHCHKD-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CCC1CC1 ZINC000336750774 398202107 /nfs/dbraw/zinc/20/21/07/398202107.db2.gz ZTYQLPHNYHCHKD-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000338005063 187326848 /nfs/dbraw/zinc/32/68/48/187326848.db2.gz VXLOKSFQWMXWDY-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)c1ccccc1 ZINC000386648155 398214836 /nfs/dbraw/zinc/21/48/36/398214836.db2.gz PSSBHXNMNYWQFH-CQSZACIVSA-N 2 2 232.371 2.606 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)c1ccccc1 ZINC000386648155 398214839 /nfs/dbraw/zinc/21/48/39/398214839.db2.gz PSSBHXNMNYWQFH-CQSZACIVSA-N 2 2 232.371 2.606 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414128649 398217283 /nfs/dbraw/zinc/21/72/83/398217283.db2.gz UFXDJYLGMADLAE-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414128649 398217287 /nfs/dbraw/zinc/21/72/87/398217287.db2.gz UFXDJYLGMADLAE-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]CC(C)(C)c1ccccc1 ZINC000386512509 398211056 /nfs/dbraw/zinc/21/10/56/398211056.db2.gz CDWHPCQONRPVSK-HNNXBMFYSA-N 2 2 246.398 2.648 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]CC(C)(C)c1ccccc1 ZINC000386512509 398211057 /nfs/dbraw/zinc/21/10/57/398211057.db2.gz CDWHPCQONRPVSK-HNNXBMFYSA-N 2 2 246.398 2.648 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2(C3CCC3)CCC2)C1 ZINC000414174504 398219671 /nfs/dbraw/zinc/21/96/71/398219671.db2.gz HRCMHCZRSWSVDA-GXTWGEPZSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2(C3CCC3)CCC2)C1 ZINC000414174504 398219674 /nfs/dbraw/zinc/21/96/74/398219674.db2.gz HRCMHCZRSWSVDA-GXTWGEPZSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1[nH+]cc(CNc2[nH+]cccc2C(C)C)n1C ZINC000576412352 365591366 /nfs/dbraw/zinc/59/13/66/365591366.db2.gz ZMHJUZPIQPXMCJ-UHFFFAOYSA-N 2 2 244.342 2.859 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)s1 ZINC000043326783 178233500 /nfs/dbraw/zinc/23/35/00/178233500.db2.gz YYQNKUHMDCDPLR-PWSUYJOCSA-N 2 2 238.400 2.768 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c(C)s1 ZINC000043326782 178254108 /nfs/dbraw/zinc/25/41/08/178254108.db2.gz YYQNKUHMDCDPLR-CMPLNLGQSA-N 2 2 238.400 2.768 20 0 BFADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000094080447 178292938 /nfs/dbraw/zinc/29/29/38/178292938.db2.gz ZCMJYHBOOBBGGN-YPMHNXCESA-N 2 2 248.370 2.553 20 0 BFADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cscc2Cl)C1 ZINC000381420289 398253759 /nfs/dbraw/zinc/25/37/59/398253759.db2.gz VPWIKWPKKWUSNQ-LLVKDONJSA-N 2 2 244.791 2.572 20 0 BFADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cscc2Cl)C1 ZINC000381420289 398253760 /nfs/dbraw/zinc/25/37/60/398253760.db2.gz VPWIKWPKKWUSNQ-LLVKDONJSA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000576764869 365675011 /nfs/dbraw/zinc/67/50/11/365675011.db2.gz CFBKSFZNPGOGSC-ZIAGYGMSSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000576764869 365675016 /nfs/dbraw/zinc/67/50/16/365675016.db2.gz CFBKSFZNPGOGSC-ZIAGYGMSSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H]1CCC[C@H](C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000576764868 365675369 /nfs/dbraw/zinc/67/53/69/365675369.db2.gz CFBKSFZNPGOGSC-UONOGXRCSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000576764868 365675374 /nfs/dbraw/zinc/67/53/74/365675374.db2.gz CFBKSFZNPGOGSC-UONOGXRCSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)C(C)C ZINC000037319580 538962416 /nfs/dbraw/zinc/96/24/16/538962416.db2.gz LWQAAJJSLFEHMT-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000053486428 168388180 /nfs/dbraw/zinc/38/81/80/168388180.db2.gz XGNNJMTUZFIXQA-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000053486428 168388182 /nfs/dbraw/zinc/38/81/82/168388182.db2.gz XGNNJMTUZFIXQA-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028515 168388357 /nfs/dbraw/zinc/38/83/57/168388357.db2.gz YCHHMPMPUOLVNP-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040671843 538972437 /nfs/dbraw/zinc/97/24/37/538972437.db2.gz XPODCRROLRGTBJ-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040671843 538972438 /nfs/dbraw/zinc/97/24/38/538972438.db2.gz XPODCRROLRGTBJ-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000040671960 538972601 /nfs/dbraw/zinc/97/26/01/538972601.db2.gz NZCXZLAKEZWTOU-RISCZKNCSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000040671960 538972603 /nfs/dbraw/zinc/97/26/03/538972603.db2.gz NZCXZLAKEZWTOU-RISCZKNCSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000040672990 538972788 /nfs/dbraw/zinc/97/27/88/538972788.db2.gz ZPQGHFIEKQXNCW-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000040672990 538972789 /nfs/dbraw/zinc/97/27/89/538972789.db2.gz ZPQGHFIEKQXNCW-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672123 538972824 /nfs/dbraw/zinc/97/28/24/538972824.db2.gz NNKLNBFYSPLRMK-ZIAGYGMSSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672123 538972825 /nfs/dbraw/zinc/97/28/25/538972825.db2.gz NNKLNBFYSPLRMK-ZIAGYGMSSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000040672314 538972856 /nfs/dbraw/zinc/97/28/56/538972856.db2.gz NLCBHKQBNLTACR-BXUZGUMPSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000040672314 538972857 /nfs/dbraw/zinc/97/28/57/538972857.db2.gz NLCBHKQBNLTACR-BXUZGUMPSA-N 2 2 236.334 2.571 20 0 BFADLP Cn1cc[nH+]c1-c1ccc([C@@H]([NH3+])C2CCC2)cc1 ZINC000630051509 361917243 /nfs/dbraw/zinc/91/72/43/361917243.db2.gz CAOBKEBGGRQFSZ-AWEZNQCLSA-N 2 2 241.338 2.887 20 0 BFADLP Cn1cc[nH+]c1-c1cccc2c1CC(C)(C)[C@H]2[NH3+] ZINC000630052891 361922487 /nfs/dbraw/zinc/92/24/87/361922487.db2.gz NBFOKDAJUASYEV-ZDUSSCGKSA-N 2 2 241.338 2.669 20 0 BFADLP C[NH+]1CCC([NH2+]Cc2cscc2Cl)CC1 ZINC000380312357 538988605 /nfs/dbraw/zinc/98/86/05/538988605.db2.gz HNKISDZTOKGQES-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000132139899 323014175 /nfs/dbraw/zinc/01/41/75/323014175.db2.gz QBHZKLZMACNJOT-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000132139899 323014176 /nfs/dbraw/zinc/01/41/76/323014176.db2.gz QBHZKLZMACNJOT-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC/C=C\CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000381574110 539004391 /nfs/dbraw/zinc/00/43/91/539004391.db2.gz YYODIBZLOIFICT-GEXIGZQTSA-N 2 2 224.392 2.805 20 0 BFADLP CC/C=C\CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000381574110 539004392 /nfs/dbraw/zinc/00/43/92/539004392.db2.gz YYODIBZLOIFICT-GEXIGZQTSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)Cc1cccs1 ZINC000035717788 342892118 /nfs/dbraw/zinc/89/21/18/342892118.db2.gz LIZJOGNCIONXSX-LLVKDONJSA-N 2 2 226.389 2.553 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)Cc1cccs1 ZINC000035717788 342892119 /nfs/dbraw/zinc/89/21/19/342892119.db2.gz LIZJOGNCIONXSX-LLVKDONJSA-N 2 2 226.389 2.553 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCC13CCC3)C2 ZINC000336228124 398324196 /nfs/dbraw/zinc/32/41/96/398324196.db2.gz QAOVSRPMUKDCLV-BXUZGUMPSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC13CCC3)CC2 ZINC000336228124 398324198 /nfs/dbraw/zinc/32/41/98/398324198.db2.gz QAOVSRPMUKDCLV-BXUZGUMPSA-N 2 2 245.370 2.579 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCCC1 ZINC000313380837 344010196 /nfs/dbraw/zinc/01/01/96/344010196.db2.gz CCTYPGJOWQRIAW-TZMCWYRMSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@@H](C)[NH+](C)C ZINC000401582451 398328709 /nfs/dbraw/zinc/32/87/09/398328709.db2.gz KXJNMBVPUKCPTO-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H](C)C[NH+](C)C ZINC000401584754 398328804 /nfs/dbraw/zinc/32/88/04/398328804.db2.gz MHOVHCGGYVHCJF-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)c1 ZINC000313259863 259331921 /nfs/dbraw/zinc/33/19/21/259331921.db2.gz FYNFZKPSVFPFFQ-KBPBESRZSA-N 2 2 247.386 2.521 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313271731 259332659 /nfs/dbraw/zinc/33/26/59/259332659.db2.gz POESODITSGJAEX-GFCCVEGCSA-N 2 2 223.364 2.521 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000119409542 187222201 /nfs/dbraw/zinc/22/22/01/187222201.db2.gz UIBIAMGXCJKDQO-CZUORRHYSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000119409542 187222204 /nfs/dbraw/zinc/22/22/04/187222204.db2.gz UIBIAMGXCJKDQO-CZUORRHYSA-N 2 2 244.382 2.792 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)s1 ZINC000034958074 187229775 /nfs/dbraw/zinc/22/97/75/187229775.db2.gz SGSPPRABLOCTAR-LBPRGKRZSA-N 2 2 249.383 2.994 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H](C)C1(C)CC1)[NH+](C)C ZINC000037468515 187229784 /nfs/dbraw/zinc/22/97/84/187229784.db2.gz JCOBPZKACOUHAK-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000185864170 343167197 /nfs/dbraw/zinc/16/71/97/343167197.db2.gz QGKTXIFNPMTYIR-CQSZACIVSA-N 2 2 235.375 2.928 20 0 BFADLP CCC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000185864170 343167201 /nfs/dbraw/zinc/16/72/01/343167201.db2.gz QGKTXIFNPMTYIR-CQSZACIVSA-N 2 2 235.375 2.928 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@@H]1C ZINC000126172974 343169151 /nfs/dbraw/zinc/16/91/51/343169151.db2.gz HVGUBFPXKPRPLC-FZMZJTMJSA-N 2 2 218.344 2.711 20 0 BFADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cs1 ZINC000168832493 343210451 /nfs/dbraw/zinc/21/04/51/343210451.db2.gz LVIYZIYQZLNJON-WCBMZHEXSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cs1 ZINC000168832493 343210452 /nfs/dbraw/zinc/21/04/52/343210452.db2.gz LVIYZIYQZLNJON-WCBMZHEXSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@H]1C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000625275772 343215251 /nfs/dbraw/zinc/21/52/51/343215251.db2.gz KHOXDNPSSSLIJE-STQMWFEESA-N 2 2 245.370 2.614 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC(C2CC2)C2CC2)C[N@@H+]1C1CC1 ZINC000132155884 343187688 /nfs/dbraw/zinc/18/76/88/343187688.db2.gz ZHOFAASILXDACH-BXUZGUMPSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC(C2CC2)C2CC2)C[N@H+]1C1CC1 ZINC000132155884 343187690 /nfs/dbraw/zinc/18/76/90/343187690.db2.gz ZHOFAASILXDACH-BXUZGUMPSA-N 2 2 248.414 2.637 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000034675370 343277010 /nfs/dbraw/zinc/27/70/10/343277010.db2.gz GBXLPQNVFDJRGJ-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000034675370 343277012 /nfs/dbraw/zinc/27/70/12/343277012.db2.gz GBXLPQNVFDJRGJ-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1C ZINC000035275043 343292002 /nfs/dbraw/zinc/29/20/02/343292002.db2.gz KLAOOAZGTPBUBO-AWEZNQCLSA-N 2 2 243.354 2.678 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCCCC[C@@H]1C ZINC000069945342 343294313 /nfs/dbraw/zinc/29/43/13/343294313.db2.gz OAHDCJHHNGOXAN-QWHCGFSZSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCCCC[C@@H]1C ZINC000069945342 343294315 /nfs/dbraw/zinc/29/43/15/343294315.db2.gz OAHDCJHHNGOXAN-QWHCGFSZSA-N 2 2 212.381 2.624 20 0 BFADLP Cc1ccc([C@H]([NH2+]C[C@@H](C)[NH+](C)C)C2CC2)cc1 ZINC000038087639 343369681 /nfs/dbraw/zinc/36/96/81/343369681.db2.gz CZSFGGWVQREHKN-CJNGLKHVSA-N 2 2 246.398 2.986 20 0 BFADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000037150986 343336911 /nfs/dbraw/zinc/33/69/11/343336911.db2.gz WLIXYGKPBWRQKT-LBPRGKRZSA-N 2 2 248.370 2.527 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccccc21 ZINC000037157967 343337291 /nfs/dbraw/zinc/33/72/91/343337291.db2.gz DBVKTDBVHBQLOC-WFASDCNBSA-N 2 2 241.338 2.549 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccs1 ZINC000037157799 343337412 /nfs/dbraw/zinc/33/74/12/343337412.db2.gz DOHLSZGCNITSFT-GHMZBOCLSA-N 2 2 235.356 2.684 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000037157918 343337531 /nfs/dbraw/zinc/33/75/31/343337531.db2.gz LLYPIFNGBGANQH-VXGBXAGGSA-N 2 2 247.317 2.762 20 0 BFADLP C[C@H](C[NH2+][C@@H](c1ccccc1)C1CC1)[NH+](C)C ZINC000041075796 343414941 /nfs/dbraw/zinc/41/49/41/343414941.db2.gz VBRKTZNXCIOBID-DOMZBBRYSA-N 2 2 232.371 2.677 20 0 BFADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349177981 136330559 /nfs/dbraw/zinc/33/05/59/136330559.db2.gz BBXWJNLTCYTFOC-KGLIPLIRSA-N 2 2 249.402 2.892 20 0 BFADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349177981 136330560 /nfs/dbraw/zinc/33/05/60/136330560.db2.gz BBXWJNLTCYTFOC-KGLIPLIRSA-N 2 2 249.402 2.892 20 0 BFADLP C[C@@H]1CC[N@H+](CC2(C)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000335703490 136334881 /nfs/dbraw/zinc/33/48/81/136334881.db2.gz KRRBLXWMRAAIJO-KGLIPLIRSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2(C)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000335703490 136334882 /nfs/dbraw/zinc/33/48/82/136334882.db2.gz KRRBLXWMRAAIJO-KGLIPLIRSA-N 2 2 247.386 2.956 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@H]1C)CCC2 ZINC000350067043 136353862 /nfs/dbraw/zinc/35/38/62/136353862.db2.gz CUTICTJVVXLJFR-XBFCOCLRSA-N 2 2 247.386 2.847 20 0 BFADLP CCCC[C@@H](CC)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436134 343733682 /nfs/dbraw/zinc/73/36/82/343733682.db2.gz FRVFLSLTQPAMOL-GFCCVEGCSA-N 2 2 235.375 2.984 20 0 BFADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000054463587 187272107 /nfs/dbraw/zinc/27/21/07/187272107.db2.gz CODSMWSTQCLGDP-GFCCVEGCSA-N 2 2 246.379 2.695 20 0 BFADLP C[N@H+]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000054463587 187272109 /nfs/dbraw/zinc/27/21/09/187272109.db2.gz CODSMWSTQCLGDP-GFCCVEGCSA-N 2 2 246.379 2.695 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041027635 343784556 /nfs/dbraw/zinc/78/45/56/343784556.db2.gz NFSKJNNIPYDRMY-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC000041027635 343784558 /nfs/dbraw/zinc/78/45/58/343784558.db2.gz NFSKJNNIPYDRMY-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000309169411 346975938 /nfs/dbraw/zinc/97/59/38/346975938.db2.gz KRDSHRWTIMXLOL-YNEHKIRRSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309169411 346975943 /nfs/dbraw/zinc/97/59/43/346975943.db2.gz KRDSHRWTIMXLOL-YNEHKIRRSA-N 2 2 212.381 2.637 20 0 BFADLP CC(C)C[C@H](C[NH2+]CC1(C)CCC1)[NH+](C)C ZINC000336650181 537820152 /nfs/dbraw/zinc/82/01/52/537820152.db2.gz DQABNRWZIYCHCW-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)CC(C)C ZINC000179689999 346993308 /nfs/dbraw/zinc/99/33/08/346993308.db2.gz WQWUIAIYUKSVID-UHFFFAOYSA-N 2 2 231.343 2.812 20 0 BFADLP CC[N@H+](Cc1cccc2[nH+]ccn21)CC(C)C ZINC000179689999 346993309 /nfs/dbraw/zinc/99/33/09/346993309.db2.gz WQWUIAIYUKSVID-UHFFFAOYSA-N 2 2 231.343 2.812 20 0 BFADLP CC(C)(C)c1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000039068406 187353698 /nfs/dbraw/zinc/35/36/98/187353698.db2.gz GSPKZDPOXBASOB-HNNXBMFYSA-N 2 2 246.398 2.907 20 0 BFADLP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H]2C[NH3+])cc1 ZINC000039068406 187353700 /nfs/dbraw/zinc/35/37/00/187353700.db2.gz GSPKZDPOXBASOB-HNNXBMFYSA-N 2 2 246.398 2.907 20 0 BFADLP C/C=C\C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309791916 343967226 /nfs/dbraw/zinc/96/72/26/343967226.db2.gz DASCSQPCQACJRQ-RXYHWBRQSA-N 2 2 244.382 2.817 20 0 BFADLP C/C=C\C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309791916 343967228 /nfs/dbraw/zinc/96/72/28/343967228.db2.gz DASCSQPCQACJRQ-RXYHWBRQSA-N 2 2 244.382 2.817 20 0 BFADLP CC(C)(C)c1cc[nH+]c(NCCn2cc[nH+]c2)c1 ZINC000641280514 362342774 /nfs/dbraw/zinc/34/27/74/362342774.db2.gz UDMRMNDKKAEUKL-UHFFFAOYSA-N 2 2 244.342 2.688 20 0 BFADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050227774 187357758 /nfs/dbraw/zinc/35/77/58/187357758.db2.gz RRKDGVKNYAWWAM-AWEZNQCLSA-N 2 2 232.371 2.517 20 0 BFADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC000050227774 187357760 /nfs/dbraw/zinc/35/77/60/187357760.db2.gz RRKDGVKNYAWWAM-AWEZNQCLSA-N 2 2 232.371 2.517 20 0 BFADLP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000348128884 537840088 /nfs/dbraw/zinc/84/00/88/537840088.db2.gz WGXRPMQRFACWGL-CWRNSKLLSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000348128884 537840098 /nfs/dbraw/zinc/84/00/98/537840098.db2.gz WGXRPMQRFACWGL-CWRNSKLLSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H](CNc1cc(C(C)(C)C)cc[nH+]1)[NH+](C)C ZINC000641312185 362358522 /nfs/dbraw/zinc/35/85/22/362358522.db2.gz CXBZKUFCDWMZIR-NSHDSACASA-N 2 2 235.375 2.741 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)[NH+](C)C ZINC000348109917 537840407 /nfs/dbraw/zinc/84/04/07/537840407.db2.gz UXMQAUDPUBQPBH-KFWWJZLASA-N 2 2 238.419 2.741 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CCC1CCCC1 ZINC000130395999 344135684 /nfs/dbraw/zinc/13/56/84/344135684.db2.gz LGGYYBOVNKJWPT-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CCC1CCCC1 ZINC000130395999 344135687 /nfs/dbraw/zinc/13/56/87/344135687.db2.gz LGGYYBOVNKJWPT-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCCC2(C)C)c1 ZINC000313292215 344311360 /nfs/dbraw/zinc/31/13/60/344311360.db2.gz HQCHTFGGBRUAKH-CYBMUJFWSA-N 2 2 235.375 2.521 20 0 BFADLP CCCCC[N@H+](CC(C)(C)[NH3+])C(C)C ZINC000042551828 344459460 /nfs/dbraw/zinc/45/94/60/344459460.db2.gz JSWVVIWWCILYQL-UHFFFAOYSA-N 2 2 200.370 2.624 20 0 BFADLP CCCCC[N@@H+](CC(C)(C)[NH3+])C(C)C ZINC000042551828 344459463 /nfs/dbraw/zinc/45/94/63/344459463.db2.gz JSWVVIWWCILYQL-UHFFFAOYSA-N 2 2 200.370 2.624 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000043326270 344488585 /nfs/dbraw/zinc/48/85/85/344488585.db2.gz ZNZXFOVHHXFWCO-RKDXNWHRSA-N 2 2 244.791 2.804 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H](C)c1ccccc1 ZINC000624100899 344539190 /nfs/dbraw/zinc/53/91/90/344539190.db2.gz UUQGKUUQITUMAM-IJEWVQPXSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000624100899 344539193 /nfs/dbraw/zinc/53/91/93/344539193.db2.gz UUQGKUUQITUMAM-IJEWVQPXSA-N 2 2 246.398 2.862 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103627 344743601 /nfs/dbraw/zinc/74/36/01/344743601.db2.gz IOTUFRUZHIAVLY-ZFWWWQNUSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103627 344743602 /nfs/dbraw/zinc/74/36/02/344743602.db2.gz IOTUFRUZHIAVLY-ZFWWWQNUSA-N 2 2 247.386 2.617 20 0 BFADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)C ZINC000152794846 344694822 /nfs/dbraw/zinc/69/48/22/344694822.db2.gz QFTCFEPKNKGFEA-AWEZNQCLSA-N 2 2 249.402 2.786 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000300409896 530057785 /nfs/dbraw/zinc/05/77/85/530057785.db2.gz CJBSIFZHYZASRH-QLFBSQMISA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000300409896 530057786 /nfs/dbraw/zinc/05/77/86/530057786.db2.gz CJBSIFZHYZASRH-QLFBSQMISA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000318950171 259380755 /nfs/dbraw/zinc/38/07/55/259380755.db2.gz CTXKFJUNFPQGQM-IUODEOHRSA-N 2 2 232.371 2.508 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CC[NH+]1CCCC1 ZINC000068985796 133531118 /nfs/dbraw/zinc/53/11/18/133531118.db2.gz GWRASRWOQQQEPD-CYBMUJFWSA-N 2 2 212.381 2.641 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000628199743 344967700 /nfs/dbraw/zinc/96/77/00/344967700.db2.gz GKTGCZLHGTVLPI-AWEZNQCLSA-N 2 2 243.354 2.585 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000153922798 345002911 /nfs/dbraw/zinc/00/29/11/345002911.db2.gz MDXAYCJYARTPGF-OAHLLOKOSA-N 2 2 248.370 2.971 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000153922798 345002912 /nfs/dbraw/zinc/00/29/12/345002912.db2.gz MDXAYCJYARTPGF-OAHLLOKOSA-N 2 2 248.370 2.971 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000123900753 345021910 /nfs/dbraw/zinc/02/19/10/345021910.db2.gz CDKQLBZSMAJSPO-GXTWGEPZSA-N 2 2 248.370 2.731 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000123900753 345021911 /nfs/dbraw/zinc/02/19/11/345021911.db2.gz CDKQLBZSMAJSPO-GXTWGEPZSA-N 2 2 248.370 2.731 20 0 BFADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154556644 345042119 /nfs/dbraw/zinc/04/21/19/345042119.db2.gz MRPACSCVDUIIQG-DUVNUKRYSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154556644 345042122 /nfs/dbraw/zinc/04/21/22/345042122.db2.gz MRPACSCVDUIIQG-DUVNUKRYSA-N 2 2 244.382 2.604 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000155981201 345115585 /nfs/dbraw/zinc/11/55/85/345115585.db2.gz LXQBERTVIKQGKG-GUTXKFCHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000155981201 345115587 /nfs/dbraw/zinc/11/55/87/345115587.db2.gz LXQBERTVIKQGKG-GUTXKFCHSA-N 2 2 238.419 2.885 20 0 BFADLP CCCCC[N@H+](CC12CC(C1)C[NH2+]2)C(C)C ZINC000634991658 345178262 /nfs/dbraw/zinc/17/82/62/345178262.db2.gz NDQFRQMRTHPSPV-UHFFFAOYSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[N@@H+](CC12CC(C1)C[NH2+]2)C(C)C ZINC000634991658 345178263 /nfs/dbraw/zinc/17/82/63/345178263.db2.gz NDQFRQMRTHPSPV-UHFFFAOYSA-N 2 2 224.392 2.639 20 0 BFADLP C([N@H+](C1CC1)C1CCCCC1)C12CC(C1)C[NH2+]2 ZINC000634991869 345179209 /nfs/dbraw/zinc/17/92/09/345179209.db2.gz USVIKUXIGMZTKW-UHFFFAOYSA-N 2 2 234.387 2.536 20 0 BFADLP C([N@@H+](C1CC1)C1CCCCC1)C12CC(C1)C[NH2+]2 ZINC000634991869 345179211 /nfs/dbraw/zinc/17/92/11/345179211.db2.gz USVIKUXIGMZTKW-UHFFFAOYSA-N 2 2 234.387 2.536 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000156106545 345125160 /nfs/dbraw/zinc/12/51/60/345125160.db2.gz MUFCSTNXCAMLKJ-GFCCVEGCSA-N 2 2 240.297 2.547 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000156106545 345125163 /nfs/dbraw/zinc/12/51/63/345125163.db2.gz MUFCSTNXCAMLKJ-GFCCVEGCSA-N 2 2 240.297 2.547 20 0 BFADLP CCCCC[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992785 345188212 /nfs/dbraw/zinc/18/82/12/345188212.db2.gz AQMHWLZJMDTTLW-SLTAFYQDSA-N 2 2 236.403 2.783 20 0 BFADLP CCCCC[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992785 345188214 /nfs/dbraw/zinc/18/82/14/345188214.db2.gz AQMHWLZJMDTTLW-SLTAFYQDSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000368216358 345227947 /nfs/dbraw/zinc/22/79/47/345227947.db2.gz ROKPZSKFQAVRCM-ZIAGYGMSSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000368216358 345227951 /nfs/dbraw/zinc/22/79/51/345227951.db2.gz ROKPZSKFQAVRCM-ZIAGYGMSSA-N 2 2 247.386 2.915 20 0 BFADLP CCC[C@H](C)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131760050 345307542 /nfs/dbraw/zinc/30/75/42/345307542.db2.gz FYAXBTLQWQEPLV-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[C@H](C)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131760050 345307545 /nfs/dbraw/zinc/30/75/45/345307545.db2.gz FYAXBTLQWQEPLV-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3CCCC3)C2)[nH]1 ZINC000080958644 345455246 /nfs/dbraw/zinc/45/52/46/345455246.db2.gz QTCMMLIVIPZITR-CYBMUJFWSA-N 2 2 233.359 2.779 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3CCCC3)C2)[nH]1 ZINC000080958644 345455248 /nfs/dbraw/zinc/45/52/48/345455248.db2.gz QTCMMLIVIPZITR-CYBMUJFWSA-N 2 2 233.359 2.779 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)CC(C)(C)C1 ZINC000252160903 345553730 /nfs/dbraw/zinc/55/37/30/345553730.db2.gz PVNHFMRVKPOGNE-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000252160903 345553734 /nfs/dbraw/zinc/55/37/34/345553734.db2.gz PVNHFMRVKPOGNE-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1ccccn1 ZINC000090846949 345576388 /nfs/dbraw/zinc/57/63/88/345576388.db2.gz DASMRFGQCDODLO-CYBMUJFWSA-N 2 2 241.338 2.678 20 0 BFADLP Cc1ccc(C)c([N@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000222896932 345748286 /nfs/dbraw/zinc/74/82/86/345748286.db2.gz KJGIDLCCXLBDCG-AWEZNQCLSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1ccc(C)c([N@@H+](C)CC[C@@H]2CC[NH2+]C2)c1 ZINC000222896932 345748288 /nfs/dbraw/zinc/74/82/88/345748288.db2.gz KJGIDLCCXLBDCG-AWEZNQCLSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000628210465 345811556 /nfs/dbraw/zinc/81/15/56/345811556.db2.gz YDGKRKMOFHDBPC-GOEBONIOSA-N 2 2 246.398 2.782 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000628210465 345811558 /nfs/dbraw/zinc/81/15/58/345811558.db2.gz YDGKRKMOFHDBPC-GOEBONIOSA-N 2 2 246.398 2.782 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000309689920 187309799 /nfs/dbraw/zinc/30/97/99/187309799.db2.gz PKXXYFGVWBPKMS-MJBXVCDLSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309689920 187309801 /nfs/dbraw/zinc/30/98/01/187309801.db2.gz PKXXYFGVWBPKMS-MJBXVCDLSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227872764 535011571 /nfs/dbraw/zinc/01/15/71/535011571.db2.gz ZFSNWVGXFXNINH-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227872764 535011580 /nfs/dbraw/zinc/01/15/80/535011580.db2.gz ZFSNWVGXFXNINH-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081638723 535011063 /nfs/dbraw/zinc/01/10/63/535011063.db2.gz ZFSNWVGXFXNINH-LSDHHAIUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081638723 535011070 /nfs/dbraw/zinc/01/10/70/535011070.db2.gz ZFSNWVGXFXNINH-LSDHHAIUSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000019992202 259386605 /nfs/dbraw/zinc/38/66/05/259386605.db2.gz UCBMZECCCFLLOG-KBPBESRZSA-N 2 2 228.424 2.989 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CCCCCC1)[NH+](C)C ZINC000381502087 346168480 /nfs/dbraw/zinc/16/84/80/346168480.db2.gz PCVNAQHXIYNLSK-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C/C=C/C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000626163249 346275468 /nfs/dbraw/zinc/27/54/68/346275468.db2.gz HIUIVCQLJZNSFC-BAABZTOOSA-N 2 2 233.359 2.561 20 0 BFADLP C/C=C/C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000626163249 346275470 /nfs/dbraw/zinc/27/54/70/346275470.db2.gz HIUIVCQLJZNSFC-BAABZTOOSA-N 2 2 233.359 2.561 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000641746750 362672740 /nfs/dbraw/zinc/67/27/40/362672740.db2.gz APPDKEGIZVVVJG-MCIONIFRSA-N 2 2 247.386 2.756 20 0 BFADLP C/C=C/C[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000626164181 346277418 /nfs/dbraw/zinc/27/74/18/346277418.db2.gz YADAKQHBBDXURX-BWPKMQGJSA-N 2 2 247.386 2.870 20 0 BFADLP C/C=C/C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000626164181 346277421 /nfs/dbraw/zinc/27/74/21/346277421.db2.gz YADAKQHBBDXURX-BWPKMQGJSA-N 2 2 247.386 2.870 20 0 BFADLP CC[C@H]1CCCC[C@H]1C[NH2+][C@@H](C)C[NH+](C)C ZINC000628276716 346287322 /nfs/dbraw/zinc/28/73/22/346287322.db2.gz MHOVHCGGYVHCJF-IHRRRGAJSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccc(C)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000130895732 179036300 /nfs/dbraw/zinc/03/63/00/179036300.db2.gz OPBFABBHEHQDRO-CABCVRRESA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000130895732 179036301 /nfs/dbraw/zinc/03/63/01/179036301.db2.gz OPBFABBHEHQDRO-CABCVRRESA-N 2 2 244.382 2.630 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH+](C)C)C1CCCCC1 ZINC000381575373 346377261 /nfs/dbraw/zinc/37/72/61/346377261.db2.gz ZNNQKPYPWNIJNS-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000309527650 347093375 /nfs/dbraw/zinc/09/33/75/347093375.db2.gz CSVWWQWLTIEDJD-IHRRRGAJSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000309527650 347093379 /nfs/dbraw/zinc/09/33/79/347093379.db2.gz CSVWWQWLTIEDJD-IHRRRGAJSA-N 2 2 226.408 2.883 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000580158290 346575978 /nfs/dbraw/zinc/57/59/78/346575978.db2.gz QMBPPVNKHYIGDT-NEPJUHHUSA-N 2 2 235.375 2.612 20 0 BFADLP CCCc1[nH+]ccn1Cc1cc[nH+]c(C)c1 ZINC000621994247 370650565 /nfs/dbraw/zinc/65/05/65/370650565.db2.gz MJJDAWIHJPCRRS-UHFFFAOYSA-N 2 2 215.300 2.587 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC000393631198 347268322 /nfs/dbraw/zinc/26/83/22/347268322.db2.gz OCMFXTLTEPYEHD-RWMBFGLXSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000020226771 347430633 /nfs/dbraw/zinc/43/06/33/347430633.db2.gz MPRZGTGSDSTTFS-MRVPVSSYSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000020226771 347430638 /nfs/dbraw/zinc/43/06/38/347430638.db2.gz MPRZGTGSDSTTFS-MRVPVSSYSA-N 2 2 247.169 2.772 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000319493405 259396228 /nfs/dbraw/zinc/39/62/28/259396228.db2.gz HWDJMGBHDUOIQA-WOSRLPQWSA-N 2 2 246.398 2.898 20 0 BFADLP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@@H+](C)C2)C1 ZINC000042545535 179256347 /nfs/dbraw/zinc/25/63/47/179256347.db2.gz ZOBOJPHPSBKWOC-SHARSMKWSA-N 2 2 244.382 2.535 20 0 BFADLP Cc1ccccc1C1CC([NH2+][C@@H]2CC[N@H+](C)C2)C1 ZINC000042545535 179256348 /nfs/dbraw/zinc/25/63/48/179256348.db2.gz ZOBOJPHPSBKWOC-SHARSMKWSA-N 2 2 244.382 2.535 20 0 BFADLP Cc1ccccc1C[N@@H+](C)C[C@H]([NH3+])CC(C)C ZINC000042436134 179269184 /nfs/dbraw/zinc/26/91/84/179269184.db2.gz PZZFXIYNBVESLJ-OAHLLOKOSA-N 2 2 234.387 2.800 20 0 BFADLP Cc1ccccc1C[N@H+](C)C[C@H]([NH3+])CC(C)C ZINC000042436134 179269186 /nfs/dbraw/zinc/26/91/86/179269186.db2.gz PZZFXIYNBVESLJ-OAHLLOKOSA-N 2 2 234.387 2.800 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272612767 179275729 /nfs/dbraw/zinc/27/57/29/179275729.db2.gz KQJNZKMWRWWKII-ZBFHGGJFSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272612767 179275731 /nfs/dbraw/zinc/27/57/31/179275731.db2.gz KQJNZKMWRWWKII-ZBFHGGJFSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272612767 179275733 /nfs/dbraw/zinc/27/57/33/179275733.db2.gz KQJNZKMWRWWKII-ZBFHGGJFSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000272612767 179275736 /nfs/dbraw/zinc/27/57/36/179275736.db2.gz KQJNZKMWRWWKII-ZBFHGGJFSA-N 2 2 244.382 2.521 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C(C)(C)C[NH+](C)C ZINC000453600091 323154613 /nfs/dbraw/zinc/15/46/13/323154613.db2.gz CCTVHPGSXQGBBC-ZIAGYGMSSA-N 2 2 238.419 2.909 20 0 BFADLP CC[N@H+](CCSC)Cc1cccc2[nH+]ccn21 ZINC000592531884 347797012 /nfs/dbraw/zinc/79/70/12/347797012.db2.gz XFEMJNYRRSLUNN-UHFFFAOYSA-N 2 2 249.383 2.519 20 0 BFADLP CC[N@@H+](CCSC)Cc1cccc2[nH+]ccn21 ZINC000592531884 347797015 /nfs/dbraw/zinc/79/70/15/347797015.db2.gz XFEMJNYRRSLUNN-UHFFFAOYSA-N 2 2 249.383 2.519 20 0 BFADLP C[C@@H](CC1CC1)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000577296679 365922169 /nfs/dbraw/zinc/92/21/69/365922169.db2.gz KJDJEJKGCCAMOJ-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)CC1CC1 ZINC000577296681 365922590 /nfs/dbraw/zinc/92/25/90/365922590.db2.gz KJDJEJKGCCAMOJ-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037157763 179338244 /nfs/dbraw/zinc/33/82/44/179338244.db2.gz IVWHSBZSKNKXCU-KBPBESRZSA-N 2 2 243.354 2.931 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044684651 179339088 /nfs/dbraw/zinc/33/90/88/179339088.db2.gz JMWXAYIEBVSJGE-KBPBESRZSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044684651 179339090 /nfs/dbraw/zinc/33/90/90/179339090.db2.gz JMWXAYIEBVSJGE-KBPBESRZSA-N 2 2 244.382 2.882 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000651666485 490129650 /nfs/dbraw/zinc/12/96/50/490129650.db2.gz DNZJUHJWOXCVCM-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3CCC3(C)C)c[nH+]c12 ZINC000342199256 179354389 /nfs/dbraw/zinc/35/43/89/179354389.db2.gz DUALMIIQWJQUSD-CYBMUJFWSA-N 2 2 243.354 2.921 20 0 BFADLP C[NH2+]CC[N@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000070303296 349991338 /nfs/dbraw/zinc/99/13/38/349991338.db2.gz MSQIUQCPJHCZPK-CQSZACIVSA-N 2 2 234.387 2.824 20 0 BFADLP C[NH2+]CC[N@@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000070303296 349991340 /nfs/dbraw/zinc/99/13/40/349991340.db2.gz MSQIUQCPJHCZPK-CQSZACIVSA-N 2 2 234.387 2.824 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccs1 ZINC000054765228 348601967 /nfs/dbraw/zinc/60/19/67/348601967.db2.gz CJDOTMDQKWPQKM-JTQLQIEISA-N 2 2 221.329 2.712 20 0 BFADLP CC[NH+](CC)CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082829392 348820686 /nfs/dbraw/zinc/82/06/86/348820686.db2.gz VTQAUVVEINMTFV-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000532240317 323211184 /nfs/dbraw/zinc/21/11/84/323211184.db2.gz LDMHNOOUYPLGIO-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000348115194 535097491 /nfs/dbraw/zinc/09/74/91/535097491.db2.gz YYPHJQKCRJOBGO-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCSC(C)C)C1 ZINC000309162726 350113616 /nfs/dbraw/zinc/11/36/16/350113616.db2.gz NXOJFSJPKUMRRW-ZDUSSCGKSA-N 2 2 244.448 2.590 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCSC(C)C)C1 ZINC000309162726 350113620 /nfs/dbraw/zinc/11/36/20/350113620.db2.gz NXOJFSJPKUMRRW-ZDUSSCGKSA-N 2 2 244.448 2.590 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC2(C)C)C[N@@H+]1C1CC1 ZINC000132500939 191033429 /nfs/dbraw/zinc/03/34/29/191033429.db2.gz UYMNPJZIUDGXMZ-YRGRVCCFSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000132500939 191033431 /nfs/dbraw/zinc/03/34/31/191033431.db2.gz UYMNPJZIUDGXMZ-YRGRVCCFSA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]1C)[NH+](C)C ZINC000083390064 350193342 /nfs/dbraw/zinc/19/33/42/350193342.db2.gz KARCXWHETZNROE-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000360213646 180254478 /nfs/dbraw/zinc/25/44/78/180254478.db2.gz QIEKHYYCLKFBKP-AEGPPILISA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000360213646 180254480 /nfs/dbraw/zinc/25/44/80/180254480.db2.gz QIEKHYYCLKFBKP-AEGPPILISA-N 2 2 247.386 2.702 20 0 BFADLP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000427717443 191090150 /nfs/dbraw/zinc/09/01/50/191090150.db2.gz HABAIXUSWBJELE-GOEBONIOSA-N 2 2 248.414 2.793 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427858973 191095807 /nfs/dbraw/zinc/09/58/07/191095807.db2.gz VCZYWNWRLWZKGC-TZMCWYRMSA-N 2 2 247.386 2.756 20 0 BFADLP CCC1CCC([NH2+][C@@H](C)Cn2cc[nH+]c2)CC1 ZINC000035275486 358456446 /nfs/dbraw/zinc/45/64/46/358456446.db2.gz QXCVDOAIEOMEJK-HSBZDZAISA-N 2 2 235.375 2.830 20 0 BFADLP CC(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000365729182 350595221 /nfs/dbraw/zinc/59/52/21/350595221.db2.gz BEEMGEIBENWAGJ-KGLIPLIRSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000365729182 350595223 /nfs/dbraw/zinc/59/52/23/350595223.db2.gz BEEMGEIBENWAGJ-KGLIPLIRSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000365729182 350595225 /nfs/dbraw/zinc/59/52/25/350595225.db2.gz BEEMGEIBENWAGJ-KGLIPLIRSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000365729182 350595227 /nfs/dbraw/zinc/59/52/27/350595227.db2.gz BEEMGEIBENWAGJ-KGLIPLIRSA-N 2 2 224.392 2.590 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000156637009 191116296 /nfs/dbraw/zinc/11/62/96/191116296.db2.gz PKACJYPSRDZOPD-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000156637009 191116298 /nfs/dbraw/zinc/11/62/98/191116298.db2.gz PKACJYPSRDZOPD-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C)C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089635 350851253 /nfs/dbraw/zinc/85/12/53/350851253.db2.gz QAOSIZNEGGZDRF-LLVKDONJSA-N 2 2 248.361 2.599 20 0 BFADLP CCC1CCC([NH2+]CC[NH+](CC)CC)CC1 ZINC000019919191 350851953 /nfs/dbraw/zinc/85/19/53/350851953.db2.gz YIJRSLFSEPCWAO-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000248534721 350862254 /nfs/dbraw/zinc/86/22/54/350862254.db2.gz VVPZYHGITYRGSU-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCc2ccccc21 ZINC000248534721 350862257 /nfs/dbraw/zinc/86/22/57/350862257.db2.gz VVPZYHGITYRGSU-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP CC(C)C[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000263698167 351176312 /nfs/dbraw/zinc/17/63/12/351176312.db2.gz KXECTWKMNJDNMZ-UHFFFAOYSA-N 2 2 243.354 2.960 20 0 BFADLP CC(C)C[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000263698167 351176317 /nfs/dbraw/zinc/17/63/17/351176317.db2.gz KXECTWKMNJDNMZ-UHFFFAOYSA-N 2 2 243.354 2.960 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000628338251 351281603 /nfs/dbraw/zinc/28/16/03/351281603.db2.gz FMUCYKILWNJELO-HUUCEWRRSA-N 2 2 238.419 2.696 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000628338251 351281604 /nfs/dbraw/zinc/28/16/04/351281604.db2.gz FMUCYKILWNJELO-HUUCEWRRSA-N 2 2 238.419 2.696 20 0 BFADLP CC[C@H]1CCCC[C@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000628338250 351282183 /nfs/dbraw/zinc/28/21/83/351282183.db2.gz FMUCYKILWNJELO-GJZGRUSLSA-N 2 2 238.419 2.696 20 0 BFADLP CC[C@H]1CCCC[C@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000628338250 351282188 /nfs/dbraw/zinc/28/21/88/351282188.db2.gz FMUCYKILWNJELO-GJZGRUSLSA-N 2 2 238.419 2.696 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]([C@@H](C)C(C)C)C1CC1 ZINC000414671315 351578385 /nfs/dbraw/zinc/57/83/85/351578385.db2.gz NSEDCECLHOUZHL-STQMWFEESA-N 2 2 226.408 2.869 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]([C@@H](C)C(C)C)C1CC1 ZINC000414671315 351578388 /nfs/dbraw/zinc/57/83/88/351578388.db2.gz NSEDCECLHOUZHL-STQMWFEESA-N 2 2 226.408 2.869 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000132869375 535167239 /nfs/dbraw/zinc/16/72/39/535167239.db2.gz LXEFFKVYZMBCEE-ZBFHGGJFSA-N 2 2 248.414 2.793 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000284364189 351996228 /nfs/dbraw/zinc/99/62/28/351996228.db2.gz NWUHVMZZUHBZCT-LBPRGKRZSA-N 2 2 233.359 2.662 20 0 BFADLP CC(C)C1(C[NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000638404798 352211241 /nfs/dbraw/zinc/21/12/41/352211241.db2.gz MPRKFYRFZPCULH-UHFFFAOYSA-N 2 2 235.375 2.689 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C1CCCCC1 ZINC000037320262 358471529 /nfs/dbraw/zinc/47/15/29/358471529.db2.gz ZNIMZOVFPBBTCE-QWHCGFSZSA-N 2 2 235.375 2.830 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043326138 352636238 /nfs/dbraw/zinc/63/62/38/352636238.db2.gz AUROCZGUZLNTHN-GJZGRUSLSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043324529 352636304 /nfs/dbraw/zinc/63/63/04/352636304.db2.gz SJYKVBYYHWCFRZ-GWCFXTLKSA-N 2 2 238.762 2.743 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000043326416 352636695 /nfs/dbraw/zinc/63/66/95/352636695.db2.gz NJHXGUMKLCWUBQ-HUUCEWRRSA-N 2 2 232.371 2.788 20 0 BFADLP CC[N@H+](CCCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000412044226 191249359 /nfs/dbraw/zinc/24/93/59/191249359.db2.gz XTCBZQFESUYLGK-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000412044226 191249363 /nfs/dbraw/zinc/24/93/63/191249363.db2.gz XTCBZQFESUYLGK-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000336748878 352979393 /nfs/dbraw/zinc/97/93/93/352979393.db2.gz DBXNYVZWIMNXKS-RWMBFGLXSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCC[C@H]3F)n2c1 ZINC000334314337 352945217 /nfs/dbraw/zinc/94/52/17/352945217.db2.gz MGCQVNISYXGTHO-OLZOCXBDSA-N 2 2 247.317 2.623 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)C(C)C)[NH+](C)C ZINC000020201501 188005968 /nfs/dbraw/zinc/00/59/68/188005968.db2.gz DEWBFLKYHHVTTL-CHWSQXEVSA-N 2 2 214.397 2.597 20 0 BFADLP Cc1ccc(CCC[NH2+]CCC(C)C)c[nH+]1 ZINC000336645792 188011400 /nfs/dbraw/zinc/01/14/00/188011400.db2.gz AWRJPDGRDIAQBB-UHFFFAOYSA-N 2 2 220.360 2.958 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+][C@@H](C)C[NH+](C)C ZINC000290235389 188035828 /nfs/dbraw/zinc/03/58/28/188035828.db2.gz YWXIRGQWMGDODJ-UELRPHRMSA-N 2 2 232.371 2.630 20 0 BFADLP CCCc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000346098383 188050752 /nfs/dbraw/zinc/05/07/52/188050752.db2.gz QMWGZIDKVUYQTB-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP CCCc1cccc(C[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000346098383 188050754 /nfs/dbraw/zinc/05/07/54/188050754.db2.gz QMWGZIDKVUYQTB-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccco2)C[C@H]1C ZINC000353752320 353194583 /nfs/dbraw/zinc/19/45/83/353194583.db2.gz SDQUTOPAHGKXFW-CHWSQXEVSA-N 2 2 236.359 2.584 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccco2)C[C@H]1C ZINC000353752320 353194587 /nfs/dbraw/zinc/19/45/87/353194587.db2.gz SDQUTOPAHGKXFW-CHWSQXEVSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccco2)C[C@H]1C ZINC000353752320 353194589 /nfs/dbraw/zinc/19/45/89/353194589.db2.gz SDQUTOPAHGKXFW-CHWSQXEVSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccco2)C[C@H]1C ZINC000353752320 353194591 /nfs/dbraw/zinc/19/45/91/353194591.db2.gz SDQUTOPAHGKXFW-CHWSQXEVSA-N 2 2 236.359 2.584 20 0 BFADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]([NH2+]C)C1 ZINC000053201295 353247674 /nfs/dbraw/zinc/24/76/74/353247674.db2.gz NXUXVQLEKQGYEM-GJZGRUSLSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H]([NH2+]C)C1 ZINC000053201295 353247676 /nfs/dbraw/zinc/24/76/76/353247676.db2.gz NXUXVQLEKQGYEM-GJZGRUSLSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000165306816 353294337 /nfs/dbraw/zinc/29/43/37/353294337.db2.gz JXIMPGZOKYHAGJ-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP CC1(C)C[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000044371613 188296901 /nfs/dbraw/zinc/29/69/01/188296901.db2.gz HJTDAICKIBNLKF-AWEZNQCLSA-N 2 2 241.338 2.760 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000041119629 188322612 /nfs/dbraw/zinc/32/26/12/188322612.db2.gz CCANAAVIUMAVIP-CYBMUJFWSA-N 2 2 229.327 2.542 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C1CCCCCC1 ZINC000053341553 188340449 /nfs/dbraw/zinc/34/04/49/188340449.db2.gz JQCXSVXZAJNZOA-UHFFFAOYSA-N 2 2 212.381 2.639 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C1CCCCCC1 ZINC000053341553 188340451 /nfs/dbraw/zinc/34/04/51/188340451.db2.gz JQCXSVXZAJNZOA-UHFFFAOYSA-N 2 2 212.381 2.639 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000166376171 188337251 /nfs/dbraw/zinc/33/72/51/188337251.db2.gz HRUJSMPQXQBPSX-CYBMUJFWSA-N 2 2 221.348 2.608 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000336774031 353423421 /nfs/dbraw/zinc/42/34/21/353423421.db2.gz ZJHUSMHPRQVXBE-XQQFMLRXSA-N 2 2 214.397 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337992359 188364780 /nfs/dbraw/zinc/36/47/80/188364780.db2.gz YECJFEJOQKITOI-KBPBESRZSA-N 2 2 244.398 2.835 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337992359 188364782 /nfs/dbraw/zinc/36/47/82/188364782.db2.gz YECJFEJOQKITOI-KBPBESRZSA-N 2 2 244.398 2.835 20 0 BFADLP CCSCC[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000336780129 353566725 /nfs/dbraw/zinc/56/67/25/353566725.db2.gz QNWJJYFMKKRCTJ-BETUJISGSA-N 2 2 244.448 2.592 20 0 BFADLP CCSCC[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000336780129 353566727 /nfs/dbraw/zinc/56/67/27/353566727.db2.gz QNWJJYFMKKRCTJ-BETUJISGSA-N 2 2 244.448 2.592 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000336780152 353567288 /nfs/dbraw/zinc/56/72/88/353567288.db2.gz QOSCBBHDGKERAH-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000336780152 353567289 /nfs/dbraw/zinc/56/72/89/353567289.db2.gz QOSCBBHDGKERAH-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019741695 353700047 /nfs/dbraw/zinc/70/00/47/353700047.db2.gz UTYAEVOAOKNRMR-CQSZACIVSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000019741695 353700050 /nfs/dbraw/zinc/70/00/50/353700050.db2.gz UTYAEVOAOKNRMR-CQSZACIVSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000232650124 353744836 /nfs/dbraw/zinc/74/48/36/353744836.db2.gz SVJXDOQFADSKFR-BBRMVZONSA-N 2 2 246.398 2.664 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000232650124 353744837 /nfs/dbraw/zinc/74/48/37/353744837.db2.gz SVJXDOQFADSKFR-BBRMVZONSA-N 2 2 246.398 2.664 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1C ZINC000220322262 353829256 /nfs/dbraw/zinc/82/92/56/353829256.db2.gz SZRONSPLMCFJSB-INIZCTEOSA-N 2 2 246.398 2.796 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1C ZINC000220322262 353829257 /nfs/dbraw/zinc/82/92/57/353829257.db2.gz SZRONSPLMCFJSB-INIZCTEOSA-N 2 2 246.398 2.796 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@@H]1C ZINC000343741439 353970393 /nfs/dbraw/zinc/97/03/93/353970393.db2.gz ZMLQPRNKQPRKKY-QKGCVVFFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@@H]1C ZINC000343741439 353970396 /nfs/dbraw/zinc/97/03/96/353970396.db2.gz ZMLQPRNKQPRKKY-QKGCVVFFSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)C1CC([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000334563644 354080834 /nfs/dbraw/zinc/08/08/34/354080834.db2.gz NZSUVDBVEOGWBK-CPCZMJQVSA-N 2 2 247.386 2.612 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000639168935 354058822 /nfs/dbraw/zinc/05/88/22/354058822.db2.gz WIWOYYDDZJTAPR-NUEKZKHPSA-N 2 2 246.398 2.720 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H]1CC=CCC1 ZINC000344073967 354133220 /nfs/dbraw/zinc/13/32/20/354133220.db2.gz UGUZBBMXLTVHPA-AWEZNQCLSA-N 2 2 233.359 2.561 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H]1CC=CCC1 ZINC000344073967 354133223 /nfs/dbraw/zinc/13/32/23/354133223.db2.gz UGUZBBMXLTVHPA-AWEZNQCLSA-N 2 2 233.359 2.561 20 0 BFADLP CCC(CC)[N@H+](CC)CCCn1cc[nH+]c1 ZINC000344039772 354104811 /nfs/dbraw/zinc/10/48/11/354104811.db2.gz URELGJGDBIFLJW-UHFFFAOYSA-N 2 2 223.364 2.784 20 0 BFADLP CCC(CC)[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000344039772 354104814 /nfs/dbraw/zinc/10/48/14/354104814.db2.gz URELGJGDBIFLJW-UHFFFAOYSA-N 2 2 223.364 2.784 20 0 BFADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000344040260 354105674 /nfs/dbraw/zinc/10/56/74/354105674.db2.gz GZQWSLNYXLDYFU-ZDUSSCGKSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000344040260 354105676 /nfs/dbraw/zinc/10/56/76/354105676.db2.gz GZQWSLNYXLDYFU-ZDUSSCGKSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)(C)[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000344172265 354172043 /nfs/dbraw/zinc/17/20/43/354172043.db2.gz STGNCLOUUBGZMI-ZDUSSCGKSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)(C)[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000344172265 354172044 /nfs/dbraw/zinc/17/20/44/354172044.db2.gz STGNCLOUUBGZMI-ZDUSSCGKSA-N 2 2 235.375 2.641 20 0 BFADLP CCC1CCC(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000344225198 354183086 /nfs/dbraw/zinc/18/30/86/354183086.db2.gz SCMOZWIALZEAPC-VXGQWTEUSA-N 2 2 238.419 2.743 20 0 BFADLP CCC1CCC(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000344225198 354183088 /nfs/dbraw/zinc/18/30/88/354183088.db2.gz SCMOZWIALZEAPC-VXGQWTEUSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000344323672 354246967 /nfs/dbraw/zinc/24/69/67/354246967.db2.gz JFINMVZVCOHHPJ-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000344323672 354246968 /nfs/dbraw/zinc/24/69/68/354246968.db2.gz JFINMVZVCOHHPJ-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344324386 354247555 /nfs/dbraw/zinc/24/75/55/354247555.db2.gz KWCLXQHKVDQKGI-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344324386 354247557 /nfs/dbraw/zinc/24/75/57/354247557.db2.gz KWCLXQHKVDQKGI-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344329599 354225660 /nfs/dbraw/zinc/22/56/60/354225660.db2.gz MWXFVARJOMGSQY-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344329599 354225662 /nfs/dbraw/zinc/22/56/62/354225662.db2.gz MWXFVARJOMGSQY-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000344329667 354226542 /nfs/dbraw/zinc/22/65/42/354226542.db2.gz NDQYQDQTUAEVFX-DZGCQCFKSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000344329667 354226544 /nfs/dbraw/zinc/22/65/44/354226544.db2.gz NDQYQDQTUAEVFX-DZGCQCFKSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccccc1C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000344329672 354226588 /nfs/dbraw/zinc/22/65/88/354226588.db2.gz NDQYQDQTUAEVFX-ZFWWWQNUSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccccc1C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000344329672 354226589 /nfs/dbraw/zinc/22/65/89/354226589.db2.gz NDQYQDQTUAEVFX-ZFWWWQNUSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c(C)c1 ZINC000344337737 354232649 /nfs/dbraw/zinc/23/26/49/354232649.db2.gz VSELHBKCZYXYCV-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c1 ZINC000344337737 354232652 /nfs/dbraw/zinc/23/26/52/354232652.db2.gz VSELHBKCZYXYCV-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP CC1CCC(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000344338251 354234572 /nfs/dbraw/zinc/23/45/72/354234572.db2.gz WNFADDPYJZORFH-JYVUQVBGSA-N 2 2 238.419 2.885 20 0 BFADLP CC1CCC(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000344338251 354234574 /nfs/dbraw/zinc/23/45/74/354234574.db2.gz WNFADDPYJZORFH-JYVUQVBGSA-N 2 2 238.419 2.885 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344344413 354237759 /nfs/dbraw/zinc/23/77/59/354237759.db2.gz DLQBATZTZUODLG-XJKSGUPXSA-N 2 2 246.398 2.821 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344344413 354237762 /nfs/dbraw/zinc/23/77/62/354237762.db2.gz DLQBATZTZUODLG-XJKSGUPXSA-N 2 2 246.398 2.821 20 0 BFADLP Cc1cccn2c(C[NH2+]C[C@@H]3CC3(C)C)c[nH+]c12 ZINC000344437326 354272357 /nfs/dbraw/zinc/27/23/57/354272357.db2.gz GOIIJLRHBUHZGH-LBPRGKRZSA-N 2 2 243.354 2.778 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CC)CCCC2)C1 ZINC000344668349 354341679 /nfs/dbraw/zinc/34/16/79/354341679.db2.gz KKYBWQLUHVSVQQ-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC2(CC)CCCC2)C1 ZINC000344668349 354341681 /nfs/dbraw/zinc/34/16/81/354341681.db2.gz KKYBWQLUHVSVQQ-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634666 366199957 /nfs/dbraw/zinc/19/99/57/366199957.db2.gz PWLMRPRIEVVEGX-RRFJBIMHSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634666 366199965 /nfs/dbraw/zinc/19/99/65/366199965.db2.gz PWLMRPRIEVVEGX-RRFJBIMHSA-N 2 2 238.419 2.885 20 0 BFADLP c1csc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000334721745 354521879 /nfs/dbraw/zinc/52/18/79/354521879.db2.gz WUVROEWLHQRKHH-UHFFFAOYSA-N 2 2 247.367 2.851 20 0 BFADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC000335101346 354711212 /nfs/dbraw/zinc/71/12/12/354711212.db2.gz VDKUXVCLHLFXHH-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CC1CCCC1 ZINC000335101346 354711215 /nfs/dbraw/zinc/71/12/15/354711215.db2.gz VDKUXVCLHLFXHH-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353236873 354811592 /nfs/dbraw/zinc/81/15/92/354811592.db2.gz DEFVQDFLQZNFRU-AGIUHOORSA-N 2 2 247.386 2.683 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353236873 354811594 /nfs/dbraw/zinc/81/15/94/354811594.db2.gz DEFVQDFLQZNFRU-AGIUHOORSA-N 2 2 247.386 2.683 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353236875 354811645 /nfs/dbraw/zinc/81/16/45/354811645.db2.gz DEFVQDFLQZNFRU-JHJVBQTASA-N 2 2 247.386 2.683 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353236875 354811646 /nfs/dbraw/zinc/81/16/46/354811646.db2.gz DEFVQDFLQZNFRU-JHJVBQTASA-N 2 2 247.386 2.683 20 0 BFADLP CC[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346134779 354870187 /nfs/dbraw/zinc/87/01/87/354870187.db2.gz OGJUJOMRSDLRJC-UHFFFAOYSA-N 2 2 247.367 2.918 20 0 BFADLP CC[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000346134779 354870190 /nfs/dbraw/zinc/87/01/90/354870190.db2.gz OGJUJOMRSDLRJC-UHFFFAOYSA-N 2 2 247.367 2.918 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000346325939 354897539 /nfs/dbraw/zinc/89/75/39/354897539.db2.gz NDIDTOZFWBKDLX-OAHLLOKOSA-N 2 2 249.402 2.950 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000346325939 354897542 /nfs/dbraw/zinc/89/75/42/354897542.db2.gz NDIDTOZFWBKDLX-OAHLLOKOSA-N 2 2 249.402 2.950 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C[C@@H](C)C1 ZINC000346336653 354900060 /nfs/dbraw/zinc/90/00/60/354900060.db2.gz SJYZRDTZNJPMJQ-XPABHHOTSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@@H](C)C1 ZINC000346336653 354900062 /nfs/dbraw/zinc/90/00/62/354900062.db2.gz SJYZRDTZNJPMJQ-XPABHHOTSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000335174439 354941477 /nfs/dbraw/zinc/94/14/77/354941477.db2.gz SBWHVJCRZLFRPQ-FZMZJTMJSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346598070 354988331 /nfs/dbraw/zinc/98/83/31/354988331.db2.gz BIQXHPAJXOCXQB-HIFRSBDPSA-N 2 2 244.382 2.606 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346598070 354988333 /nfs/dbraw/zinc/98/83/33/354988333.db2.gz BIQXHPAJXOCXQB-HIFRSBDPSA-N 2 2 244.382 2.606 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)[C@H]1C ZINC000346800486 355108136 /nfs/dbraw/zinc/10/81/36/355108136.db2.gz REUMNXYRQJAWNF-QKGCVVFFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC000346800486 355108139 /nfs/dbraw/zinc/10/81/39/355108139.db2.gz REUMNXYRQJAWNF-QKGCVVFFSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346807103 355110185 /nfs/dbraw/zinc/11/01/85/355110185.db2.gz LRYHRKCEIOYACI-GUTXKFCHSA-N 2 2 247.386 2.523 20 0 BFADLP Cc1ccncc1[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346807103 355110187 /nfs/dbraw/zinc/11/01/87/355110187.db2.gz LRYHRKCEIOYACI-GUTXKFCHSA-N 2 2 247.386 2.523 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3ccccc32)CCC[N@@H+]1C ZINC000346784430 355116024 /nfs/dbraw/zinc/11/60/24/355116024.db2.gz BHWDKFRAYMGVLB-WQVCFCJDSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CCc3ccccc32)CCC[N@H+]1C ZINC000346784430 355116025 /nfs/dbraw/zinc/11/60/25/355116025.db2.gz BHWDKFRAYMGVLB-WQVCFCJDSA-N 2 2 244.382 2.746 20 0 BFADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1sccc1Cl ZINC000335280335 355244418 /nfs/dbraw/zinc/24/44/18/355244418.db2.gz LIAUIHBTICIEMC-NXEZZACHSA-N 2 2 244.791 2.761 20 0 BFADLP Cc1cc[nH+]cc1Cn1cc[nH+]c1C(C)C ZINC000335791228 355442972 /nfs/dbraw/zinc/44/29/72/355442972.db2.gz HWBPZVXOWAERMO-UHFFFAOYSA-N 2 2 215.300 2.758 20 0 BFADLP CC(C)(CF)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000349802334 355465765 /nfs/dbraw/zinc/46/57/65/355465765.db2.gz NZHMXBBSRMLGRO-UHFFFAOYSA-N 2 2 247.317 2.710 20 0 BFADLP Cc1cccc(N2CC[NH+](CCC(C)C)CC2)[nH+]1 ZINC000166441126 355468500 /nfs/dbraw/zinc/46/85/00/355468500.db2.gz SWDJCUBILQSRCN-UHFFFAOYSA-N 2 2 247.386 2.558 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000415038494 191659678 /nfs/dbraw/zinc/65/96/78/191659678.db2.gz MGXADINQWSRMFP-OAHLLOKOSA-N 2 2 244.382 2.794 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000166602004 355715235 /nfs/dbraw/zinc/71/52/35/355715235.db2.gz CFRUAAJGYAUWDV-RDBSUJKOSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000166602004 355715238 /nfs/dbraw/zinc/71/52/38/355715238.db2.gz CFRUAAJGYAUWDV-RDBSUJKOSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](CCCC(F)(F)F)[NH2+]C[C@H](C)[NH+](C)C ZINC000166665714 355743020 /nfs/dbraw/zinc/74/30/20/355743020.db2.gz ZOBPQVULAJXOPJ-ZJUUUORDSA-N 2 2 240.313 2.647 20 0 BFADLP CCCC(CCC)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389193825 355836664 /nfs/dbraw/zinc/83/66/64/355836664.db2.gz WJSBLWBDYKIXBN-CYBMUJFWSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC(CCC)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389193825 355836669 /nfs/dbraw/zinc/83/66/69/355836669.db2.gz WJSBLWBDYKIXBN-CYBMUJFWSA-N 2 2 212.381 2.639 20 0 BFADLP [NH3+][C@H]1CCC[N@H+](Cc2cc3ccccc3s2)C1 ZINC000034567728 355907372 /nfs/dbraw/zinc/90/73/72/355907372.db2.gz MYNAJKBDGIGXSU-LBPRGKRZSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+][C@H]1CCC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC000034567728 355907377 /nfs/dbraw/zinc/90/73/77/355907377.db2.gz MYNAJKBDGIGXSU-LBPRGKRZSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000192390341 356182779 /nfs/dbraw/zinc/18/27/79/356182779.db2.gz FWLZQHMZRHKHMW-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP CCc1ccc(C[N@H+](C[C@H](C)[NH3+])C2CC2)cc1 ZINC000420295440 192203622 /nfs/dbraw/zinc/20/36/22/192203622.db2.gz AJLKURVSXKBIOG-LBPRGKRZSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1ccc(C[N@@H+](C[C@H](C)[NH3+])C2CC2)cc1 ZINC000420295440 192203624 /nfs/dbraw/zinc/20/36/24/192203624.db2.gz AJLKURVSXKBIOG-LBPRGKRZSA-N 2 2 232.371 2.561 20 0 BFADLP CC[N@@H+](Cc1cccc(Cl)c1)C[C@@H](C)[NH3+] ZINC000420319443 192195700 /nfs/dbraw/zinc/19/57/00/192195700.db2.gz PNNSSCHAFMPPNA-SNVBAGLBSA-N 2 2 226.751 2.509 20 0 BFADLP CC[N@H+](Cc1cccc(Cl)c1)C[C@@H](C)[NH3+] ZINC000420319443 192195701 /nfs/dbraw/zinc/19/57/01/192195701.db2.gz PNNSSCHAFMPPNA-SNVBAGLBSA-N 2 2 226.751 2.509 20 0 BFADLP CCc1cccc(C[N@@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000420287492 192201032 /nfs/dbraw/zinc/20/10/32/192201032.db2.gz GNSMHNGJCKGQJR-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CCc1cccc(C[N@H+]2CCCC[C@H]2C[NH3+])c1 ZINC000420287492 192201035 /nfs/dbraw/zinc/20/10/35/192201035.db2.gz GNSMHNGJCKGQJR-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000420295645 192202539 /nfs/dbraw/zinc/20/25/39/192202539.db2.gz CJEHLYDHGJOTTL-FVQBIDKESA-N 2 2 246.398 2.992 20 0 BFADLP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](C)[NH3+] ZINC000420295645 192202542 /nfs/dbraw/zinc/20/25/42/192202542.db2.gz CJEHLYDHGJOTTL-FVQBIDKESA-N 2 2 246.398 2.992 20 0 BFADLP CCc1oc2ccccc2c1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000420295449 192203132 /nfs/dbraw/zinc/20/31/32/192203132.db2.gz AKVJLCMQDGHOMY-LLVKDONJSA-N 2 2 246.354 2.774 20 0 BFADLP CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000420295449 192203135 /nfs/dbraw/zinc/20/31/35/192203135.db2.gz AKVJLCMQDGHOMY-LLVKDONJSA-N 2 2 246.354 2.774 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC000395647110 356364300 /nfs/dbraw/zinc/36/43/00/356364300.db2.gz ICOKTHAAXREJRQ-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000395647110 356364301 /nfs/dbraw/zinc/36/43/01/356364301.db2.gz ICOKTHAAXREJRQ-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c1 ZINC000420355681 192219504 /nfs/dbraw/zinc/21/95/04/192219504.db2.gz CEZYWWZQCMQPOS-OFQRWUPVSA-N 2 2 246.398 2.780 20 0 BFADLP CCc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)s1 ZINC000049235634 356389954 /nfs/dbraw/zinc/38/99/54/356389954.db2.gz WJSOOYJQBVZUSY-NSHDSACASA-N 2 2 249.383 2.685 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352810970 356418766 /nfs/dbraw/zinc/41/87/66/356418766.db2.gz QSVNCWRPDQSYQA-RJZRQDKASA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352810970 356418770 /nfs/dbraw/zinc/41/87/70/356418770.db2.gz QSVNCWRPDQSYQA-RJZRQDKASA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+]C1CC2(C1)CCCCC2)[NH+](C)C ZINC000421346172 192319636 /nfs/dbraw/zinc/31/96/36/192319636.db2.gz YLAWNWLYUCLUCU-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422941898 192511422 /nfs/dbraw/zinc/51/14/22/192511422.db2.gz VYMSABXLXXOGJM-RCBQFDQVSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000352297784 134139207 /nfs/dbraw/zinc/13/92/07/134139207.db2.gz OWUZIGKWFUKIAE-VNHYZAJKSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000352297784 134139208 /nfs/dbraw/zinc/13/92/08/134139208.db2.gz OWUZIGKWFUKIAE-VNHYZAJKSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000352297784 134139209 /nfs/dbraw/zinc/13/92/09/134139209.db2.gz OWUZIGKWFUKIAE-VNHYZAJKSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000352297784 134139210 /nfs/dbraw/zinc/13/92/10/134139210.db2.gz OWUZIGKWFUKIAE-VNHYZAJKSA-N 2 2 236.403 2.734 20 0 BFADLP CC[NH+]1CCC([NH2+]Cc2csc(C)c2)CC1 ZINC000292745856 356641950 /nfs/dbraw/zinc/64/19/50/356641950.db2.gz RDVNSIPLZAPECN-UHFFFAOYSA-N 2 2 238.400 2.630 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423144620 192586806 /nfs/dbraw/zinc/58/68/06/192586806.db2.gz HNRYBONWMFZMQD-NHYWBVRUSA-N 2 2 230.355 2.577 20 0 BFADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)C(C)(F)F ZINC000389467052 356681988 /nfs/dbraw/zinc/68/19/88/356681988.db2.gz LWWCNSVYKQFOLO-IJLUTSLNSA-N 2 2 248.361 2.931 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623337148 356730188 /nfs/dbraw/zinc/73/01/88/356730188.db2.gz XMMAWGUZJWZVJB-STQMWFEESA-N 2 2 247.386 2.605 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623337148 356730190 /nfs/dbraw/zinc/73/01/90/356730190.db2.gz XMMAWGUZJWZVJB-STQMWFEESA-N 2 2 247.386 2.605 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC(C)(C)C1 ZINC000450461042 202171838 /nfs/dbraw/zinc/17/18/38/202171838.db2.gz TZVGKAAOBMSKPY-CQSZACIVSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC(C)(C)C1 ZINC000450461042 202171839 /nfs/dbraw/zinc/17/18/39/202171839.db2.gz TZVGKAAOBMSKPY-CQSZACIVSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CCC(C)(C)C1 ZINC000450461042 202171843 /nfs/dbraw/zinc/17/18/43/202171843.db2.gz TZVGKAAOBMSKPY-CQSZACIVSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CCC(C)(C)C1 ZINC000450461042 202171846 /nfs/dbraw/zinc/17/18/46/202171846.db2.gz TZVGKAAOBMSKPY-CQSZACIVSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450484038 202178781 /nfs/dbraw/zinc/17/87/81/202178781.db2.gz KBGHIMLBWQTHJH-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450484038 202178784 /nfs/dbraw/zinc/17/87/84/202178784.db2.gz KBGHIMLBWQTHJH-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450484038 202178787 /nfs/dbraw/zinc/17/87/87/202178787.db2.gz KBGHIMLBWQTHJH-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H]1CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450484038 202178791 /nfs/dbraw/zinc/17/87/91/202178791.db2.gz KBGHIMLBWQTHJH-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000362911680 356950323 /nfs/dbraw/zinc/95/03/23/356950323.db2.gz CJPUBQITWFOHBM-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000362911680 356950328 /nfs/dbraw/zinc/95/03/28/356950328.db2.gz CJPUBQITWFOHBM-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000423225301 192636020 /nfs/dbraw/zinc/63/60/20/192636020.db2.gz MCQYBKAYVSVCDG-LBPRGKRZSA-N 2 2 220.360 2.680 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(C)sc1C ZINC000423243224 192647845 /nfs/dbraw/zinc/64/78/45/192647845.db2.gz JUGGOMLCAHVLES-JTQLQIEISA-N 2 2 226.389 2.625 20 0 BFADLP CC(C)CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CC1 ZINC000304283269 357160988 /nfs/dbraw/zinc/16/09/88/357160988.db2.gz FQPWPLBFGLKLEA-OCCSQVGLSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000389379251 538814920 /nfs/dbraw/zinc/81/49/20/538814920.db2.gz MQWICQOTYMFIFI-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000389379251 538814928 /nfs/dbraw/zinc/81/49/28/538814928.db2.gz MQWICQOTYMFIFI-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CC1(C)CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375316846 357177180 /nfs/dbraw/zinc/17/71/80/357177180.db2.gz FECKWZBFJZVBLI-CYBMUJFWSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@H+](C)C1CC1 ZINC000230394578 357533294 /nfs/dbraw/zinc/53/32/94/357533294.db2.gz GWCMVMFJEHVJQA-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000230394578 357533299 /nfs/dbraw/zinc/53/32/99/357533299.db2.gz GWCMVMFJEHVJQA-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000230409017 357539981 /nfs/dbraw/zinc/53/99/81/357539981.db2.gz LIACPSTZMRUOKK-YIYPIFLZSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000230409017 357539987 /nfs/dbraw/zinc/53/99/87/357539987.db2.gz LIACPSTZMRUOKK-YIYPIFLZSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)C1 ZINC000230764441 357563792 /nfs/dbraw/zinc/56/37/92/357563792.db2.gz RJWSXZHPXRUOQH-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000232715407 357680061 /nfs/dbraw/zinc/68/00/61/357680061.db2.gz TYACJYFFJKPZBK-GOEBONIOSA-N 2 2 248.414 2.966 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000233458772 357724532 /nfs/dbraw/zinc/72/45/32/357724532.db2.gz XBFZHCMVBVDUDA-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)c1[nH+]ccn1CC[C@H]1CCCC[N@@H+]1C ZINC000232747502 357680825 /nfs/dbraw/zinc/68/08/25/357680825.db2.gz XTWKAKQLQYWWDO-CYBMUJFWSA-N 2 2 235.375 2.881 20 0 BFADLP CC(C)c1[nH+]ccn1CC[C@H]1CCCC[N@H+]1C ZINC000232747502 357680829 /nfs/dbraw/zinc/68/08/29/357680829.db2.gz XTWKAKQLQYWWDO-CYBMUJFWSA-N 2 2 235.375 2.881 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623415963 357822574 /nfs/dbraw/zinc/82/25/74/357822574.db2.gz DTOQWHSFIOTGRX-SNPRPXQTSA-N 2 2 238.419 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623415963 357822579 /nfs/dbraw/zinc/82/25/79/357822579.db2.gz DTOQWHSFIOTGRX-SNPRPXQTSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044684116 358550784 /nfs/dbraw/zinc/55/07/84/358550784.db2.gz FAYBUDBDHAFBEP-JSGCOSHPSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044684116 358550787 /nfs/dbraw/zinc/55/07/87/358550787.db2.gz FAYBUDBDHAFBEP-JSGCOSHPSA-N 2 2 230.355 2.574 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044684140 358551377 /nfs/dbraw/zinc/55/13/77/358551377.db2.gz HLJOPRLJNYCZNB-ZBFHGGJFSA-N 2 2 244.382 2.964 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044684140 358551379 /nfs/dbraw/zinc/55/13/79/358551379.db2.gz HLJOPRLJNYCZNB-ZBFHGGJFSA-N 2 2 244.382 2.964 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044685270 358552073 /nfs/dbraw/zinc/55/20/73/358552073.db2.gz XCMPRLPCDSDVNQ-HIFRSBDPSA-N 2 2 244.382 2.616 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044685270 358552074 /nfs/dbraw/zinc/55/20/74/358552074.db2.gz XCMPRLPCDSDVNQ-HIFRSBDPSA-N 2 2 244.382 2.616 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH+](C)C)c1ccccc1 ZINC000130163940 358611780 /nfs/dbraw/zinc/61/17/80/358611780.db2.gz SFRMBODFTMGUFQ-TZMCWYRMSA-N 2 2 220.360 2.677 20 0 BFADLP C[C@@H](CC1CCC1)[NH2+]CC[NH+]1CCCCC1 ZINC000132326793 491135443 /nfs/dbraw/zinc/13/54/43/491135443.db2.gz WKYUTRADUCTJHS-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H](c1nc2ccccc2s1)[N@H+](C)CCC[NH3+] ZINC000133747902 358766726 /nfs/dbraw/zinc/76/67/26/358766726.db2.gz NUFLUGZPHGIWAK-JTQLQIEISA-N 2 2 249.383 2.638 20 0 BFADLP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)CCC[NH3+] ZINC000133747902 358766728 /nfs/dbraw/zinc/76/67/28/358766728.db2.gz NUFLUGZPHGIWAK-JTQLQIEISA-N 2 2 249.383 2.638 20 0 BFADLP CCCC[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000050889911 358738785 /nfs/dbraw/zinc/73/87/85/358738785.db2.gz PRHMRNKLMROSKI-TZMCWYRMSA-N 2 2 220.360 2.855 20 0 BFADLP CC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000053488021 358829574 /nfs/dbraw/zinc/82/95/74/358829574.db2.gz TXRFYGSFDQMSLI-KBPBESRZSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000053488021 358829577 /nfs/dbraw/zinc/82/95/77/358829577.db2.gz TXRFYGSFDQMSLI-KBPBESRZSA-N 2 2 234.387 2.895 20 0 BFADLP CC(C)[C@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000069794260 359033559 /nfs/dbraw/zinc/03/35/59/359033559.db2.gz LMRWOVZHWNWEFE-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[C@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000069794260 359033564 /nfs/dbraw/zinc/03/35/64/359033564.db2.gz LMRWOVZHWNWEFE-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@H](C)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000069794217 359034072 /nfs/dbraw/zinc/03/40/72/359034072.db2.gz MVLLHELXFSWBEY-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@H](C)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000069794217 359034074 /nfs/dbraw/zinc/03/40/74/359034074.db2.gz MVLLHELXFSWBEY-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000178041576 134302655 /nfs/dbraw/zinc/30/26/55/134302655.db2.gz MYVXDTJBIKWXAJ-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000178041576 134302656 /nfs/dbraw/zinc/30/26/56/134302656.db2.gz MYVXDTJBIKWXAJ-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247045941 359190405 /nfs/dbraw/zinc/19/04/05/359190405.db2.gz MYVXDTJBIKWXAJ-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247045941 359190407 /nfs/dbraw/zinc/19/04/07/359190407.db2.gz MYVXDTJBIKWXAJ-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC000246878359 359172628 /nfs/dbraw/zinc/17/26/28/359172628.db2.gz DVECAHYUFANOCW-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCc2ccccc21 ZINC000246878359 359172634 /nfs/dbraw/zinc/17/26/34/359172634.db2.gz DVECAHYUFANOCW-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000222011358 259485417 /nfs/dbraw/zinc/48/54/17/259485417.db2.gz GJBNRVMYGJDFFU-RDBSUJKOSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000222011358 259485419 /nfs/dbraw/zinc/48/54/19/259485419.db2.gz GJBNRVMYGJDFFU-RDBSUJKOSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC2(C)CCCCC2)n1C ZINC000521463938 259486469 /nfs/dbraw/zinc/48/64/69/259486469.db2.gz GKHIHVUPEGDAJA-UHFFFAOYSA-N 2 2 235.375 2.789 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423542260 192808620 /nfs/dbraw/zinc/80/86/20/192808620.db2.gz AQLZPICKEAJPJV-IOASZLSFSA-N 2 2 244.382 2.967 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000423551679 192811936 /nfs/dbraw/zinc/81/19/36/192811936.db2.gz JJIRRJSANCCXMK-HIFRSBDPSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000578615238 366607925 /nfs/dbraw/zinc/60/79/25/366607925.db2.gz ZUKOJRMZNGDUCM-IYXRBSQSSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000578615238 366607931 /nfs/dbraw/zinc/60/79/31/366607931.db2.gz ZUKOJRMZNGDUCM-IYXRBSQSSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)C1(C)CC1 ZINC000090846847 360090124 /nfs/dbraw/zinc/09/01/24/360090124.db2.gz NSXQUDACXMIJFW-GFCCVEGCSA-N 2 2 218.344 2.711 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000094307924 360303157 /nfs/dbraw/zinc/30/31/57/360303157.db2.gz GGPYRCFMGSOIFT-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629393532 361042543 /nfs/dbraw/zinc/04/25/43/361042543.db2.gz BQBQRWQGFNABRT-UKRRQHHQSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1C ZINC000629395709 361044951 /nfs/dbraw/zinc/04/49/51/361044951.db2.gz QFHMRSLFAYCBIQ-SWLSCSKDSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C[NH2+]1 ZINC000629414431 361060674 /nfs/dbraw/zinc/06/06/74/361060674.db2.gz OPPAPWVYFPTIKE-IUODEOHRSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)C[NH2+]1 ZINC000629416769 361061918 /nfs/dbraw/zinc/06/19/18/361061918.db2.gz VLQHHXZVIAVYLZ-QADGWQRPSA-N 2 2 248.345 2.569 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2coc3ccccc23)C[NH2+]1 ZINC000629415480 361061993 /nfs/dbraw/zinc/06/19/93/361061993.db2.gz QZIZPLJPQGDFNP-AAEUAGOBSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@H](C[N@H+](C)CCc1c[nH+]cn1C)C(C)(C)C ZINC000640347543 361066249 /nfs/dbraw/zinc/06/62/49/361066249.db2.gz IMBPVYBHUALJNA-GFCCVEGCSA-N 2 2 237.391 2.577 20 0 BFADLP C[C@H](C[N@@H+](C)CCc1c[nH+]cn1C)C(C)(C)C ZINC000640347543 361066251 /nfs/dbraw/zinc/06/62/51/361066251.db2.gz IMBPVYBHUALJNA-GFCCVEGCSA-N 2 2 237.391 2.577 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1cccs1 ZINC000629523412 361120246 /nfs/dbraw/zinc/12/02/46/361120246.db2.gz DZMJUCMICFSZSF-GARJFASQSA-N 2 2 224.373 2.539 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000309727314 491155145 /nfs/dbraw/zinc/15/51/45/491155145.db2.gz DLHGJUVQTJDEMA-UONOGXRCSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000309727314 491155146 /nfs/dbraw/zinc/15/51/46/491155146.db2.gz DLHGJUVQTJDEMA-UONOGXRCSA-N 2 2 224.392 2.805 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CC[C@H]3CCC[C@H]32)[nH+]1 ZINC000428458333 201020209 /nfs/dbraw/zinc/02/02/09/201020209.db2.gz KVXLHDNWRFHRRI-TZMCWYRMSA-N 2 2 241.338 2.709 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CC[C@H]3CCC[C@H]32)[nH+]1 ZINC000428458333 201020211 /nfs/dbraw/zinc/02/02/11/201020211.db2.gz KVXLHDNWRFHRRI-TZMCWYRMSA-N 2 2 241.338 2.709 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c2ccccc21 ZINC000629540986 361415574 /nfs/dbraw/zinc/41/55/74/361415574.db2.gz QJJYGZLCVRAYLH-FOCJUVANSA-N 2 2 244.382 2.965 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543969 361412897 /nfs/dbraw/zinc/41/28/97/361412897.db2.gz HGBOWOVFCZDHEC-VIRABCJISA-N 2 2 244.382 2.883 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccnc1 ZINC000629542861 361420458 /nfs/dbraw/zinc/42/04/58/361420458.db2.gz NRJMNTLFRWPDDH-YUELXQCFSA-N 2 2 247.386 2.653 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)CCC2 ZINC000629544369 361423547 /nfs/dbraw/zinc/42/35/47/361423547.db2.gz KZKCBNINMYZUED-MAZHCROVSA-N 2 2 244.382 2.712 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@H](C)C2 ZINC000629544911 361424211 /nfs/dbraw/zinc/42/42/11/361424211.db2.gz NRALGDGKJOVGKG-KOZAUXTDSA-N 2 2 244.382 2.568 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H](C)C2 ZINC000629544919 361424403 /nfs/dbraw/zinc/42/44/03/361424403.db2.gz NRALGDGKJOVGKG-RKLWJJNISA-N 2 2 244.382 2.568 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccs1 ZINC000629544759 361424523 /nfs/dbraw/zinc/42/45/23/361424523.db2.gz CKGGFXDQDWIEIY-GARJFASQSA-N 2 2 224.373 2.539 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(F)c1 ZINC000629544782 361424536 /nfs/dbraw/zinc/42/45/36/361424536.db2.gz MMEJTMYTOXPYNN-LEWSCRJBSA-N 2 2 236.334 2.617 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1F ZINC000629545903 361426754 /nfs/dbraw/zinc/42/67/54/361426754.db2.gz SKJQLOMMBDMRCN-LEWSCRJBSA-N 2 2 236.334 2.617 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccnc1 ZINC000629541852 361417720 /nfs/dbraw/zinc/41/77/20/361417720.db2.gz XJUIEENTPZOCDK-BPLDGKMQSA-N 2 2 247.386 2.509 20 0 BFADLP C[NH2+]c1ccc(N[C@H](C)C[C@H]2CCC[NH2+]2)cc1 ZINC000629656771 361561137 /nfs/dbraw/zinc/56/11/37/361561137.db2.gz QNJYATRZEYCNHW-BXUZGUMPSA-N 2 2 233.359 2.671 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000163791161 361578849 /nfs/dbraw/zinc/57/88/49/361578849.db2.gz NCDNAAOGMBHSMF-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000163791161 361578852 /nfs/dbraw/zinc/57/88/52/361578852.db2.gz NCDNAAOGMBHSMF-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000310176927 491160648 /nfs/dbraw/zinc/16/06/48/491160648.db2.gz VIVCXRPBXFLAJP-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000310176927 491160649 /nfs/dbraw/zinc/16/06/49/491160649.db2.gz VIVCXRPBXFLAJP-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437110079 201345126 /nfs/dbraw/zinc/34/51/26/201345126.db2.gz ZPBZHWHQLIAMJA-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000437106942 201345435 /nfs/dbraw/zinc/34/54/35/201345435.db2.gz NXBGNMIYYLTSLC-JSGCOSHPSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000437106942 201345437 /nfs/dbraw/zinc/34/54/37/201345437.db2.gz NXBGNMIYYLTSLC-JSGCOSHPSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C(C)(C)C ZINC000156013673 201380537 /nfs/dbraw/zinc/38/05/37/201380537.db2.gz BGCSFUIVFDSICL-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP [NH3+]CC1CCC([NH2+]c2ccc3c(c2)CCN3)CC1 ZINC000335051527 181364070 /nfs/dbraw/zinc/36/40/70/181364070.db2.gz BLVATOXMBKINNX-UHFFFAOYSA-N 2 2 245.370 2.584 20 0 BFADLP CC1(C)CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000081046444 364512404 /nfs/dbraw/zinc/51/24/04/364512404.db2.gz NTCMYZCPKDVUJB-UHFFFAOYSA-N 2 2 241.338 2.857 20 0 BFADLP CC1(C)CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000081046444 364512406 /nfs/dbraw/zinc/51/24/06/364512406.db2.gz NTCMYZCPKDVUJB-UHFFFAOYSA-N 2 2 241.338 2.857 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C[NH2+]1 ZINC000399064100 364762985 /nfs/dbraw/zinc/76/29/85/364762985.db2.gz AUXJYHUBPIRTGA-XNRPHZJLSA-N 2 2 244.382 2.794 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000250632579 541438907 /nfs/dbraw/zinc/43/89/07/541438907.db2.gz RLPSJRSAKOTPSY-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000250632579 541438912 /nfs/dbraw/zinc/43/89/12/541438912.db2.gz RLPSJRSAKOTPSY-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2ccsc2)n1C ZINC000574291787 365032547 /nfs/dbraw/zinc/03/25/47/365032547.db2.gz DPWPVKRCUOACMN-SNVBAGLBSA-N 2 2 249.383 2.511 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000574619822 365102911 /nfs/dbraw/zinc/10/29/11/365102911.db2.gz KFZOBBOJMXZRDE-UHFFFAOYSA-N 2 2 242.313 2.713 20 0 BFADLP C[C@@H](C[NH2+]C1CCC(C)CC1)Cn1cc[nH+]c1 ZINC000174318179 365481358 /nfs/dbraw/zinc/48/13/58/365481358.db2.gz JQJNDQBOUDNZMI-MOKVOYLWSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@@H](C)C[N@H+](CC)CCCn1cc[nH+]c1 ZINC000182818435 366946721 /nfs/dbraw/zinc/94/67/21/366946721.db2.gz KZOLEECNJQIGEI-CYBMUJFWSA-N 2 2 223.364 2.641 20 0 BFADLP CC[C@@H](C)C[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000182818435 366946727 /nfs/dbraw/zinc/94/67/27/366946727.db2.gz KZOLEECNJQIGEI-CYBMUJFWSA-N 2 2 223.364 2.641 20 0 BFADLP C[C@@H]1C[C@H](C)CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000183059581 366972118 /nfs/dbraw/zinc/97/21/18/366972118.db2.gz QQIBWWXWZNWMJI-ZIAGYGMSSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@@H]1C[C@H](C)CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000183059581 366972123 /nfs/dbraw/zinc/97/21/23/366972123.db2.gz QQIBWWXWZNWMJI-ZIAGYGMSSA-N 2 2 235.375 2.641 20 0 BFADLP CCC[NH+](CCC)Cc1cccc2[nH+]ccn21 ZINC000183462821 367025173 /nfs/dbraw/zinc/02/51/73/367025173.db2.gz PXEQHRYFIPNZGK-UHFFFAOYSA-N 2 2 231.343 2.956 20 0 BFADLP Cc1[nH+]ccn1Cc1cn2cc(Cl)ccc2[nH+]1 ZINC000193269280 367158668 /nfs/dbraw/zinc/15/86/68/367158668.db2.gz PEZMPLBUSWZIFD-UHFFFAOYSA-N 2 2 246.701 2.541 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@@H]2CCCC23CC3)CC1 ZINC000580963074 367220851 /nfs/dbraw/zinc/22/08/51/367220851.db2.gz LLPAPZRRWGHZJW-CQSZACIVSA-N 2 2 236.403 2.641 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CC2CCC1CC2 ZINC000382072415 367483757 /nfs/dbraw/zinc/48/37/57/367483757.db2.gz CLWYMXJDCBOPNA-YMAMQOFZSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C[NH2+]1 ZINC000399130570 367597927 /nfs/dbraw/zinc/59/79/27/367597927.db2.gz WVUMYKOZXMXMFE-DAXOMENPSA-N 2 2 244.382 2.868 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[NH2+]1 ZINC000399130572 367598379 /nfs/dbraw/zinc/59/83/79/367598379.db2.gz WVUMYKOZXMXMFE-KCXAZCMYSA-N 2 2 244.382 2.868 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000581618558 367638449 /nfs/dbraw/zinc/63/84/49/367638449.db2.gz GLYUOJUOAJOVTH-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000581618558 367638450 /nfs/dbraw/zinc/63/84/50/367638450.db2.gz GLYUOJUOAJOVTH-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(C)o1 ZINC000399171886 367850534 /nfs/dbraw/zinc/85/05/34/367850534.db2.gz IRLZQNZPFKCAMR-XHVZSJERSA-N 2 2 236.359 2.688 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1F ZINC000399203687 367903309 /nfs/dbraw/zinc/90/33/09/367903309.db2.gz UVSWYTDYDZMJGR-UTUOFQBUSA-N 2 2 236.334 2.617 20 0 BFADLP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000386579477 367996528 /nfs/dbraw/zinc/99/65/28/367996528.db2.gz OFVLDPJOMJVEGI-UKRRQHHQSA-N 2 2 232.371 2.615 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccs1 ZINC000399257074 368049067 /nfs/dbraw/zinc/04/90/67/368049067.db2.gz NUVKOHIXCOHXSN-GMTAPVOTSA-N 2 2 224.373 2.539 20 0 BFADLP CC[C@H](CC(F)F)C[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834831 369040590 /nfs/dbraw/zinc/04/05/90/369040590.db2.gz GRUNDTWCSFJFLQ-NEPJUHHUSA-N 2 2 248.361 2.871 20 0 BFADLP CC[C@H](CC(F)F)C[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631834831 369040592 /nfs/dbraw/zinc/04/05/92/369040592.db2.gz GRUNDTWCSFJFLQ-NEPJUHHUSA-N 2 2 248.361 2.871 20 0 BFADLP CC[C@@H]1CCCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459338576 203262900 /nfs/dbraw/zinc/26/29/00/203262900.db2.gz KOXUOPKCJVXAGF-CYBMUJFWSA-N 2 2 235.375 2.617 20 0 BFADLP CC[C@@H]1CCCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459338576 203262903 /nfs/dbraw/zinc/26/29/03/203262903.db2.gz KOXUOPKCJVXAGF-CYBMUJFWSA-N 2 2 235.375 2.617 20 0 BFADLP C[C@H](C[NH2+]C1CC(C(C)(C)C)C1)[N@H+](C)C1CC1 ZINC000459429320 203280463 /nfs/dbraw/zinc/28/04/63/203280463.db2.gz PFTDWXSRYAASLC-PNESKVBLSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+]C1CC(C(C)(C)C)C1)[N@@H+](C)C1CC1 ZINC000459429320 203280467 /nfs/dbraw/zinc/28/04/67/203280467.db2.gz PFTDWXSRYAASLC-PNESKVBLSA-N 2 2 238.419 2.883 20 0 BFADLP CCc1ccccc1CC[NH2+]C(C)(C)C[NH+](C)C ZINC000459553155 203299159 /nfs/dbraw/zinc/29/91/59/203299159.db2.gz AEHNRFCOAGQDOH-UHFFFAOYSA-N 2 2 248.414 2.721 20 0 BFADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1C(C)(C)C1(C)C ZINC000459667839 203332376 /nfs/dbraw/zinc/33/23/76/203332376.db2.gz SJDWCIXJFONQNC-LLVKDONJSA-N 2 2 249.402 2.623 20 0 BFADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H]1CCCC[C@H]1C ZINC000459664109 203332531 /nfs/dbraw/zinc/33/25/31/203332531.db2.gz PMWOFIMYJBCHPR-IPYPFGDCSA-N 2 2 249.402 2.767 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000459673345 203333499 /nfs/dbraw/zinc/33/34/99/203333499.db2.gz YICITZMAFAAIRG-LSDHHAIUSA-N 2 2 247.386 2.521 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459749896 203353860 /nfs/dbraw/zinc/35/38/60/203353860.db2.gz JBUWOHPOVRQMSS-KBPBESRZSA-N 2 2 248.395 2.512 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000459749896 203353862 /nfs/dbraw/zinc/35/38/62/203353862.db2.gz JBUWOHPOVRQMSS-KBPBESRZSA-N 2 2 248.395 2.512 20 0 BFADLP CCCc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000620436288 369876179 /nfs/dbraw/zinc/87/61/79/369876179.db2.gz SIILXWDSNMXJFN-UHFFFAOYSA-N 2 2 243.354 2.625 20 0 BFADLP CCCc1ccc(C[NH2+]CCn2cc[nH+]c2)s1 ZINC000621325796 370255667 /nfs/dbraw/zinc/25/56/67/370255667.db2.gz LFMZGHBGAPJMAI-UHFFFAOYSA-N 2 2 249.383 2.687 20 0 BFADLP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154592456 371130756 /nfs/dbraw/zinc/13/07/56/371130756.db2.gz YJRBMEVUHUGYDJ-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccccc1C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154592456 371130762 /nfs/dbraw/zinc/13/07/62/371130762.db2.gz YJRBMEVUHUGYDJ-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000125570112 371358637 /nfs/dbraw/zinc/35/86/37/371358637.db2.gz NNZZZSMMKZAUMI-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000125570112 371358641 /nfs/dbraw/zinc/35/86/41/371358641.db2.gz NNZZZSMMKZAUMI-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000624272029 371452527 /nfs/dbraw/zinc/45/25/27/371452527.db2.gz TUGQYBDJESRPFA-HZSPNIEDSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000624272029 371452530 /nfs/dbraw/zinc/45/25/30/371452530.db2.gz TUGQYBDJESRPFA-HZSPNIEDSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000624272032 371452537 /nfs/dbraw/zinc/45/25/37/371452537.db2.gz TUGQYBDJESRPFA-RDBSUJKOSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000624272032 371452541 /nfs/dbraw/zinc/45/25/41/371452541.db2.gz TUGQYBDJESRPFA-RDBSUJKOSA-N 2 2 242.382 2.589 20 0 BFADLP CC(C)C[N@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000032090455 372147346 /nfs/dbraw/zinc/14/73/46/372147346.db2.gz YLDUPQVPEMXQHB-UHFFFAOYSA-N 2 2 240.778 2.757 20 0 BFADLP CC(C)C[N@@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000032090455 372147352 /nfs/dbraw/zinc/14/73/52/372147352.db2.gz YLDUPQVPEMXQHB-UHFFFAOYSA-N 2 2 240.778 2.757 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000040671714 373588544 /nfs/dbraw/zinc/58/85/44/373588544.db2.gz XNCSBPKZWZTJEE-OAHLLOKOSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000040671714 373588548 /nfs/dbraw/zinc/58/85/48/373588548.db2.gz XNCSBPKZWZTJEE-OAHLLOKOSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@@H+](C)C2)c(C)c1 ZINC000040671715 373589322 /nfs/dbraw/zinc/58/93/22/373589322.db2.gz XNCSBPKZWZTJEE-HNNXBMFYSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[N@H+](C)C2)c(C)c1 ZINC000040671715 373589329 /nfs/dbraw/zinc/58/93/29/373589329.db2.gz XNCSBPKZWZTJEE-HNNXBMFYSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000040673027 373590736 /nfs/dbraw/zinc/59/07/36/373590736.db2.gz UZJBOFVQOUWHFO-MRXNPFEDSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1C ZINC000040673027 373590744 /nfs/dbraw/zinc/59/07/44/373590744.db2.gz UZJBOFVQOUWHFO-MRXNPFEDSA-N 2 2 246.398 2.796 20 0 BFADLP CCCc1cccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000414958320 205794381 /nfs/dbraw/zinc/79/43/81/205794381.db2.gz RTZMRHSUKPSEFE-CZUORRHYSA-N 2 2 246.398 2.869 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCCCC1 ZINC000167340727 206143753 /nfs/dbraw/zinc/14/37/53/206143753.db2.gz ANDDJKRTCRBZRE-OCCSQVGLSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+](CCCn1cc[nH+]c1C)CC(F)F ZINC000125061668 169155344 /nfs/dbraw/zinc/15/53/44/169155344.db2.gz DBKCKKZNSGFFJZ-UHFFFAOYSA-N 2 2 245.317 2.559 20 0 BFADLP CCC[N@@H+](CCCn1cc[nH+]c1C)CC(F)F ZINC000125061668 169155347 /nfs/dbraw/zinc/15/53/47/169155347.db2.gz DBKCKKZNSGFFJZ-UHFFFAOYSA-N 2 2 245.317 2.559 20 0 BFADLP CCC[NH+]1CCC([NH2+]Cc2ccoc2C)CC1 ZINC000320982810 169188486 /nfs/dbraw/zinc/18/84/86/169188486.db2.gz HLAAPJRZBSCBQR-UHFFFAOYSA-N 2 2 236.359 2.552 20 0 BFADLP CCC[NH+]1CCC(Nc2ccc(C)[nH+]c2)CC1 ZINC000154249063 169189696 /nfs/dbraw/zinc/18/96/96/169189696.db2.gz GEJCNQBRSNUOOT-UHFFFAOYSA-N 2 2 233.359 2.676 20 0 BFADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000020189681 169189957 /nfs/dbraw/zinc/18/99/57/169189957.db2.gz GOYBQTBJNBGYFU-ZDUSSCGKSA-N 2 2 247.386 2.607 20 0 BFADLP CCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354432934 169198662 /nfs/dbraw/zinc/19/86/62/169198662.db2.gz PRTSLUGGBNRKGM-MJBXVCDLSA-N 2 2 224.392 2.734 20 0 BFADLP CCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354432934 169198663 /nfs/dbraw/zinc/19/86/63/169198663.db2.gz PRTSLUGGBNRKGM-MJBXVCDLSA-N 2 2 224.392 2.734 20 0 BFADLP CCC[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354432934 169198665 /nfs/dbraw/zinc/19/86/65/169198665.db2.gz PRTSLUGGBNRKGM-MJBXVCDLSA-N 2 2 224.392 2.734 20 0 BFADLP CCC[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354432934 169198667 /nfs/dbraw/zinc/19/86/67/169198667.db2.gz PRTSLUGGBNRKGM-MJBXVCDLSA-N 2 2 224.392 2.734 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CCCC23CCC3)[nH+]1 ZINC000336312904 183341031 /nfs/dbraw/zinc/34/10/31/183341031.db2.gz VSRDZGQMWPBIDU-UHFFFAOYSA-N 2 2 241.338 2.853 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CCCC23CCC3)[nH+]1 ZINC000336312904 183341033 /nfs/dbraw/zinc/34/10/33/183341033.db2.gz VSRDZGQMWPBIDU-UHFFFAOYSA-N 2 2 241.338 2.853 20 0 BFADLP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)co1 ZINC000370117856 183349716 /nfs/dbraw/zinc/34/97/16/183349716.db2.gz YBBDRPRLTSUQAT-UHFFFAOYSA-N 2 2 248.370 2.776 20 0 BFADLP CCC[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000037241322 169292063 /nfs/dbraw/zinc/29/20/63/169292063.db2.gz HSOXAHMYZYXRDR-ZFWWWQNUSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000037241322 169292064 /nfs/dbraw/zinc/29/20/64/169292064.db2.gz HSOXAHMYZYXRDR-ZFWWWQNUSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[C@@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271719894 169365497 /nfs/dbraw/zinc/36/54/97/169365497.db2.gz JQFWTLQQQAYDMX-GFCCVEGCSA-N 2 2 231.343 2.955 20 0 BFADLP CCC[C@@H](C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271719894 169365499 /nfs/dbraw/zinc/36/54/99/169365499.db2.gz JQFWTLQQQAYDMX-GFCCVEGCSA-N 2 2 231.343 2.955 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000336715611 169369387 /nfs/dbraw/zinc/36/93/87/169369387.db2.gz SRNPLMWMZHYMMM-DOMZBBRYSA-N 2 2 232.371 2.652 20 0 BFADLP CCC[C@@H](C)C[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037153209 169361081 /nfs/dbraw/zinc/36/10/81/169361081.db2.gz GFGDHMLGWAPZLI-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H](C[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC000309393766 383993964 /nfs/dbraw/zinc/99/39/64/383993964.db2.gz GGMKIXLTKYYSFW-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)s1 ZINC000037157651 383947974 /nfs/dbraw/zinc/94/79/74/383947974.db2.gz SWASROPYHNWVGB-ZYHUDNBSSA-N 2 2 249.383 2.992 20 0 BFADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000037249833 383963507 /nfs/dbraw/zinc/96/35/07/383963507.db2.gz BEXKTPNCWDWORY-RISCZKNCSA-N 2 2 248.370 2.587 20 0 BFADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)[NH+](C)C)C2CC2)cc1 ZINC000038087642 384068332 /nfs/dbraw/zinc/06/83/32/384068332.db2.gz CZSFGGWVQREHKN-XJKSGUPXSA-N 2 2 246.398 2.986 20 0 BFADLP C[C@@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000227845235 134391041 /nfs/dbraw/zinc/39/10/41/134391041.db2.gz BGEFWDKQYAAKIH-UPJWGTAASA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+]C1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000227845235 134391043 /nfs/dbraw/zinc/39/10/43/134391043.db2.gz BGEFWDKQYAAKIH-UPJWGTAASA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313250115 384151758 /nfs/dbraw/zinc/15/17/58/384151758.db2.gz BJLXDFNVYXDBJF-HUUCEWRRSA-N 2 2 249.402 2.767 20 0 BFADLP Cn1c[nH+]c(CC[NH2+]CCCC2CCCCC2)c1 ZINC000313263353 384177619 /nfs/dbraw/zinc/17/76/19/384177619.db2.gz LYIHTDGTFJJPQR-UHFFFAOYSA-N 2 2 249.402 2.913 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)c[nH+]2)CC(C)(C)C1 ZINC000313263282 384177798 /nfs/dbraw/zinc/17/77/98/384177798.db2.gz LRNRROOOGODSHZ-OCCSQVGLSA-N 2 2 249.402 2.767 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000309629125 384185761 /nfs/dbraw/zinc/18/57/61/384185761.db2.gz QUISSGNUVRLOHQ-MCIONIFRSA-N 2 2 228.424 2.987 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313264366 384180538 /nfs/dbraw/zinc/18/05/38/384180538.db2.gz FHAUYZVFPQVRJT-OLZOCXBDSA-N 2 2 235.375 2.521 20 0 BFADLP Cc1ccoc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092648849 384187644 /nfs/dbraw/zinc/18/76/44/384187644.db2.gz XUFISULWZQSBOK-UHFFFAOYSA-N 2 2 245.326 2.622 20 0 BFADLP CC[C@@H](C)C[NH2+]CCCCNc1cccc[nH+]1 ZINC000093066988 384208530 /nfs/dbraw/zinc/20/85/30/384208530.db2.gz LWXXMOGAOJXDAP-CYBMUJFWSA-N 2 2 235.375 2.909 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313277328 384212599 /nfs/dbraw/zinc/21/25/99/384212599.db2.gz ZZFRWHJOSGNAEB-OCCSQVGLSA-N 2 2 235.375 2.521 20 0 BFADLP CCC[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767044 384214323 /nfs/dbraw/zinc/21/43/23/384214323.db2.gz XLMNPZZHZCQZEB-ZDUSSCGKSA-N 2 2 212.381 2.641 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCC3)C[N@@H+]1C1CC1 ZINC000449182058 384256400 /nfs/dbraw/zinc/25/64/00/384256400.db2.gz BPFXYJKDBRXQQL-NFAWXSAZSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CCC3)C[N@H+]1C1CC1 ZINC000449182058 384256405 /nfs/dbraw/zinc/25/64/05/384256405.db2.gz BPFXYJKDBRXQQL-NFAWXSAZSA-N 2 2 248.414 2.924 20 0 BFADLP Cn1c[nH+]cc1C[NH+]1CCC2(CCCC2)CC1 ZINC000336633375 384278143 /nfs/dbraw/zinc/27/81/43/384278143.db2.gz YFKAWGLEQHERSF-UHFFFAOYSA-N 2 2 233.359 2.576 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+]CC[N@H+](C)CC ZINC000158800375 384292190 /nfs/dbraw/zinc/29/21/90/384292190.db2.gz OPNJWOVVPNXCJT-CHWSQXEVSA-N 2 2 214.397 2.743 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+]CC[N@@H+](C)CC ZINC000158800375 384292196 /nfs/dbraw/zinc/29/21/96/384292196.db2.gz OPNJWOVVPNXCJT-CHWSQXEVSA-N 2 2 214.397 2.743 20 0 BFADLP Cc1sccc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000335557889 384325149 /nfs/dbraw/zinc/32/51/49/384325149.db2.gz LEAQNWRRXWOARZ-MFKMUULPSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1sccc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000335557889 384325153 /nfs/dbraw/zinc/32/51/53/384325153.db2.gz LEAQNWRRXWOARZ-MFKMUULPSA-N 2 2 238.400 2.629 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H](C)C[NH+]2CCCCC2)CC1 ZINC000556816394 384503356 /nfs/dbraw/zinc/50/33/56/384503356.db2.gz WDBAUXXZSVUPNB-CABCVRRESA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC(C)(C)[NH+](C)C ZINC000300738490 384526959 /nfs/dbraw/zinc/52/69/59/384526959.db2.gz AMXYLUFXIUPMJS-LBPRGKRZSA-N 2 2 214.397 2.598 20 0 BFADLP Cl/C=C/C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151149157 384546329 /nfs/dbraw/zinc/54/63/29/384546329.db2.gz IFUIUFRDMWMWKJ-WXJAXGNASA-N 2 2 242.794 2.689 20 0 BFADLP Cl/C=C/C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151149157 384546334 /nfs/dbraw/zinc/54/63/34/384546334.db2.gz IFUIUFRDMWMWKJ-WXJAXGNASA-N 2 2 242.794 2.689 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(C)(C)C1 ZINC000448029781 384568956 /nfs/dbraw/zinc/56/89/56/384568956.db2.gz QXHZKHBGHAUXGH-ZDUSSCGKSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CC(C)(C)C1 ZINC000448029781 384568959 /nfs/dbraw/zinc/56/89/59/384568959.db2.gz QXHZKHBGHAUXGH-ZDUSSCGKSA-N 2 2 238.419 2.885 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643067248 384578409 /nfs/dbraw/zinc/57/84/09/384578409.db2.gz YMAKMOKSOCMHRU-CABCVRRESA-N 2 2 236.403 2.641 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643067248 384578416 /nfs/dbraw/zinc/57/84/16/384578416.db2.gz YMAKMOKSOCMHRU-CABCVRRESA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000449257396 384585249 /nfs/dbraw/zinc/58/52/49/384585249.db2.gz IRFFZJZMVBMAQK-ZOBORPQBSA-N 2 2 247.386 2.612 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000309804915 384634095 /nfs/dbraw/zinc/63/40/95/384634095.db2.gz RXCXKCFHULRUKU-MPKXVKKWSA-N 2 2 218.344 2.567 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C(C)C)CC1 ZINC000556891901 384615135 /nfs/dbraw/zinc/61/51/35/384615135.db2.gz HFCZCTJAQNZCKM-CABCVRRESA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C(C)C)CC1 ZINC000556891901 384615140 /nfs/dbraw/zinc/61/51/40/384615140.db2.gz HFCZCTJAQNZCKM-CABCVRRESA-N 2 2 236.403 2.663 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccsc1 ZINC000050339871 384617710 /nfs/dbraw/zinc/61/77/10/384617710.db2.gz DPOVYFAQLSBPLS-NSHDSACASA-N 2 2 235.356 2.686 20 0 BFADLP CC[C@H]([NH2+]CC[NH+]1CCCCCC1)C(C)C ZINC000040767853 384593158 /nfs/dbraw/zinc/59/31/58/384593158.db2.gz OKHCEOFPNVWQJC-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000047889487 384669465 /nfs/dbraw/zinc/66/94/65/384669465.db2.gz SJLGKKMCHBSVQS-UHFFFAOYSA-N 2 2 243.354 2.677 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000021957621 384709829 /nfs/dbraw/zinc/70/98/29/384709829.db2.gz LLJRSMRHUQTUPS-OAHLLOKOSA-N 2 2 232.371 2.605 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C1CC1 ZINC000083054716 384742186 /nfs/dbraw/zinc/74/21/86/384742186.db2.gz YGKOOEZEFNRDHG-UONOGXRCSA-N 2 2 226.408 2.741 20 0 BFADLP Nc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000052722073 384745103 /nfs/dbraw/zinc/74/51/03/384745103.db2.gz CTUBTFOQMVKOIB-KGLIPLIRSA-N 2 2 245.370 2.818 20 0 BFADLP Nc1cc(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000052722073 384745116 /nfs/dbraw/zinc/74/51/16/384745116.db2.gz CTUBTFOQMVKOIB-KGLIPLIRSA-N 2 2 245.370 2.818 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1nccs1 ZINC000083142305 384745994 /nfs/dbraw/zinc/74/59/94/384745994.db2.gz UDZWKVCEGZXYBM-NSHDSACASA-N 2 2 241.404 2.526 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)c(C)c1 ZINC000647550131 384748475 /nfs/dbraw/zinc/74/84/75/384748475.db2.gz BGTGAHKFZCTQED-SWLSCSKDSA-N 2 2 246.398 2.699 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000309962940 384751400 /nfs/dbraw/zinc/75/14/00/384751400.db2.gz MFDRIIISZSEIMA-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CC[NH3+] ZINC000062623325 384758119 /nfs/dbraw/zinc/75/81/19/384758119.db2.gz PTANEIYJCZXQNH-CQSZACIVSA-N 2 2 248.370 2.572 20 0 BFADLP Cc1ccc(F)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000083377390 384768270 /nfs/dbraw/zinc/76/82/70/384768270.db2.gz WLYPZFSGAFNWTR-UHFFFAOYSA-N 2 2 247.317 2.511 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000647553972 384768401 /nfs/dbraw/zinc/76/84/01/384768401.db2.gz OAKDKXDKQGCAQU-OAHLLOKOSA-N 2 2 244.382 2.759 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000053389685 384788009 /nfs/dbraw/zinc/78/80/09/384788009.db2.gz PTMFJYJBPZIBPI-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000053389685 384788016 /nfs/dbraw/zinc/78/80/16/384788016.db2.gz PTMFJYJBPZIBPI-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](C[NH2+]C/C=C/c1ccccc1)[N@H+](C)C1CC1 ZINC000105488057 384867946 /nfs/dbraw/zinc/86/79/46/384867946.db2.gz HCWBDXQNRHXPLZ-MRZGDXHCSA-N 2 2 244.382 2.772 20 0 BFADLP C[C@@H](C[NH2+]C/C=C/c1ccccc1)[N@@H+](C)C1CC1 ZINC000105488057 384867950 /nfs/dbraw/zinc/86/79/50/384867950.db2.gz HCWBDXQNRHXPLZ-MRZGDXHCSA-N 2 2 244.382 2.772 20 0 BFADLP C[C@H](C[NH2+]C/C=C/c1ccccc1)[N@H+](C)C1CC1 ZINC000105488058 384868916 /nfs/dbraw/zinc/86/89/16/384868916.db2.gz HCWBDXQNRHXPLZ-VIIAAUOXSA-N 2 2 244.382 2.772 20 0 BFADLP C[C@H](C[NH2+]C/C=C/c1ccccc1)[N@@H+](C)C1CC1 ZINC000105488058 384868923 /nfs/dbraw/zinc/86/89/23/384868923.db2.gz HCWBDXQNRHXPLZ-VIIAAUOXSA-N 2 2 244.382 2.772 20 0 BFADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C(C)(C)C ZINC000163846616 384868908 /nfs/dbraw/zinc/86/89/08/384868908.db2.gz AQNVQXGBXWMSPE-GFCCVEGCSA-N 2 2 235.375 2.908 20 0 BFADLP CC1(C2([NH2+]Cc3cccc4[nH+]ccn43)CC2)CC1 ZINC000449675273 384891196 /nfs/dbraw/zinc/89/11/96/384891196.db2.gz ZECZNVGIUFBULC-UHFFFAOYSA-N 2 2 241.338 2.757 20 0 BFADLP Cc1[nH+]cc(CNc2cccc(C3CC3)[nH+]2)n1C ZINC000573625071 384902823 /nfs/dbraw/zinc/90/28/23/384902823.db2.gz CJAYILAMCXNIAF-UHFFFAOYSA-N 2 2 242.326 2.613 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000251127011 384909891 /nfs/dbraw/zinc/90/98/91/384909891.db2.gz SOPAZODCLDQGOL-NXEZZACHSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cccc(Cl)c1 ZINC000251127011 384909897 /nfs/dbraw/zinc/90/98/97/384909897.db2.gz SOPAZODCLDQGOL-NXEZZACHSA-N 2 2 226.751 2.680 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000161201501 384919653 /nfs/dbraw/zinc/91/96/53/384919653.db2.gz FUYVUNKUIRVBKK-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1(C)CC1 ZINC000161201501 384919660 /nfs/dbraw/zinc/91/96/60/384919660.db2.gz FUYVUNKUIRVBKK-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP c1cn(CC[NH2+][C@@H]2CCCC23CCCCC3)c[nH+]1 ZINC000312987146 385022024 /nfs/dbraw/zinc/02/20/24/385022024.db2.gz IWYNIHYVWDPJPM-CQSZACIVSA-N 2 2 247.386 2.976 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)Cc1ccccc1)C1CC1 ZINC000177322907 384963424 /nfs/dbraw/zinc/96/34/24/384963424.db2.gz LIMGVFOJGMBSEY-UONOGXRCSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000177322907 384963429 /nfs/dbraw/zinc/96/34/29/384963429.db2.gz LIMGVFOJGMBSEY-UONOGXRCSA-N 2 2 246.398 2.895 20 0 BFADLP Cc1cscc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226832881 385067573 /nfs/dbraw/zinc/06/75/73/385067573.db2.gz FMPVSCNGCOEYSF-WCQYABFASA-N 2 2 238.400 2.629 20 0 BFADLP Cc1cscc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226832881 385067577 /nfs/dbraw/zinc/06/75/77/385067577.db2.gz FMPVSCNGCOEYSF-WCQYABFASA-N 2 2 238.400 2.629 20 0 BFADLP c1cn(-c2csc(C[NH2+][C@H]3CC34CC4)c2)c[nH+]1 ZINC000424182883 385112782 /nfs/dbraw/zinc/11/27/82/385112782.db2.gz HYTWJCLBWAXPFA-LBPRGKRZSA-N 2 2 245.351 2.576 20 0 BFADLP c1cn(CC[NH2+][C@H]2CCCc3sccc32)c[nH+]1 ZINC000061328850 385113415 /nfs/dbraw/zinc/11/34/15/385113415.db2.gz SZMXLKQVWVBPQT-LBPRGKRZSA-N 2 2 247.367 2.612 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000361652425 385116135 /nfs/dbraw/zinc/11/61/35/385116135.db2.gz FWMJZJMGLNGDJG-UONOGXRCSA-N 2 2 247.386 2.847 20 0 BFADLP C[N@H+](CC[NH2+][C@H]1CCC1(C)C)Cc1ccccc1 ZINC000342734449 385162626 /nfs/dbraw/zinc/16/26/26/385162626.db2.gz NVOFZKFLKGXPJZ-HNNXBMFYSA-N 2 2 246.398 2.897 20 0 BFADLP C[N@@H+](CC[NH2+][C@H]1CCC1(C)C)Cc1ccccc1 ZINC000342734449 385162640 /nfs/dbraw/zinc/16/26/40/385162640.db2.gz NVOFZKFLKGXPJZ-HNNXBMFYSA-N 2 2 246.398 2.897 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000129724748 385180555 /nfs/dbraw/zinc/18/05/55/385180555.db2.gz RZIRFKIKMWMNHI-WXHSDQCUSA-N 2 2 236.359 2.721 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000129724748 385180559 /nfs/dbraw/zinc/18/05/59/385180559.db2.gz RZIRFKIKMWMNHI-WXHSDQCUSA-N 2 2 236.359 2.721 20 0 BFADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000177248574 385208400 /nfs/dbraw/zinc/20/84/00/385208400.db2.gz CHUOFIDCLNGDFL-LBPRGKRZSA-N 2 2 241.338 2.760 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C(C)C ZINC000449780944 385221187 /nfs/dbraw/zinc/22/11/87/385221187.db2.gz HLFNPEHGKYFRDI-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C(C)C ZINC000449780944 385221190 /nfs/dbraw/zinc/22/11/90/385221190.db2.gz HLFNPEHGKYFRDI-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000559919154 385229625 /nfs/dbraw/zinc/22/96/25/385229625.db2.gz LNPFFUJEOJQIJQ-MELADBBJSA-N 2 2 234.387 2.700 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000559919154 385229627 /nfs/dbraw/zinc/22/96/27/385229627.db2.gz LNPFFUJEOJQIJQ-MELADBBJSA-N 2 2 234.387 2.700 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000308955835 385307451 /nfs/dbraw/zinc/30/74/51/385307451.db2.gz YLNVIVOELPOICO-LBPRGKRZSA-N 2 2 214.397 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CCC(C)(C)C ZINC000308955835 385307455 /nfs/dbraw/zinc/30/74/55/385307455.db2.gz YLNVIVOELPOICO-LBPRGKRZSA-N 2 2 214.397 2.743 20 0 BFADLP Cc1ccc(NC2CC[NH+](C(C)C)CC2)c[nH+]1 ZINC000154263451 385312098 /nfs/dbraw/zinc/31/20/98/385312098.db2.gz QEZNGDAURWPAKE-UHFFFAOYSA-N 2 2 233.359 2.675 20 0 BFADLP CC(C)[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130581765 385263351 /nfs/dbraw/zinc/26/33/51/385263351.db2.gz TZNFGLNHQHBHTF-LBPRGKRZSA-N 2 2 231.343 2.511 20 0 BFADLP CC[N@H+](CC1CC[NH2+]CC1)c1ccccc1C ZINC000020072641 385274997 /nfs/dbraw/zinc/27/49/97/385274997.db2.gz QUSPJXPAMDRYHG-UHFFFAOYSA-N 2 2 232.371 2.821 20 0 BFADLP CC[N@@H+](CC1CC[NH2+]CC1)c1ccccc1C ZINC000020072641 385275004 /nfs/dbraw/zinc/27/50/04/385275004.db2.gz QUSPJXPAMDRYHG-UHFFFAOYSA-N 2 2 232.371 2.821 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cncs1 ZINC000131415924 385332209 /nfs/dbraw/zinc/33/22/09/385332209.db2.gz DKKMCEBHJVYSQT-LLVKDONJSA-N 2 2 241.404 2.526 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC000154619482 385342029 /nfs/dbraw/zinc/34/20/29/385342029.db2.gz RKTTXHUQXUACAJ-RISCZKNCSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC000154619482 385342031 /nfs/dbraw/zinc/34/20/31/385342031.db2.gz RKTTXHUQXUACAJ-RISCZKNCSA-N 2 2 236.334 2.571 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)CC2 ZINC000154604368 385342923 /nfs/dbraw/zinc/34/29/23/385342923.db2.gz FMAWFZIYBPZWSZ-GDBMZVCRSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CC2 ZINC000154604368 385342927 /nfs/dbraw/zinc/34/29/27/385342927.db2.gz FMAWFZIYBPZWSZ-GDBMZVCRSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154637802 385345101 /nfs/dbraw/zinc/34/51/01/385345101.db2.gz RVGZAYSITWBVNR-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154637802 385345106 /nfs/dbraw/zinc/34/51/06/385345106.db2.gz RVGZAYSITWBVNR-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000178436132 385372826 /nfs/dbraw/zinc/37/28/26/385372826.db2.gz WBYMJAZBJQQQIQ-UHFFFAOYSA-N 2 2 247.317 2.544 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccccc1F ZINC000178436132 385372828 /nfs/dbraw/zinc/37/28/28/385372828.db2.gz WBYMJAZBJQQQIQ-UHFFFAOYSA-N 2 2 247.317 2.544 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CC[NH+](C)C ZINC000309087497 385412231 /nfs/dbraw/zinc/41/22/31/385412231.db2.gz ZQRBXNIFQMCGBX-OLZOCXBDSA-N 2 2 214.397 2.598 20 0 BFADLP Cc1occc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000179241828 385454081 /nfs/dbraw/zinc/45/40/81/385454081.db2.gz XBLJFZLYNHHEHQ-UHFFFAOYSA-N 2 2 236.359 2.506 20 0 BFADLP Cc1occc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000179241828 385454084 /nfs/dbraw/zinc/45/40/84/385454084.db2.gz XBLJFZLYNHHEHQ-UHFFFAOYSA-N 2 2 236.359 2.506 20 0 BFADLP C[C@@H](C1CC1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179714734 385485798 /nfs/dbraw/zinc/48/57/98/385485798.db2.gz HPKOSHSWLYFKPZ-NSHDSACASA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H](C1CC1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179714734 385485803 /nfs/dbraw/zinc/48/58/03/385485803.db2.gz HPKOSHSWLYFKPZ-NSHDSACASA-N 2 2 229.327 2.565 20 0 BFADLP CCCCC[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000302337878 385515614 /nfs/dbraw/zinc/51/56/14/385515614.db2.gz HBJPVCFOJXAPJW-GJZGRUSLSA-N 2 2 232.371 2.603 20 0 BFADLP CCCCC[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000302337878 385515618 /nfs/dbraw/zinc/51/56/18/385515618.db2.gz HBJPVCFOJXAPJW-GJZGRUSLSA-N 2 2 232.371 2.603 20 0 BFADLP C[N@H+](CCC1CC1)Cc1cccc2[nH+]ccn21 ZINC000180766950 385546004 /nfs/dbraw/zinc/54/60/04/385546004.db2.gz NSROXHFHAKCAKS-UHFFFAOYSA-N 2 2 229.327 2.566 20 0 BFADLP C[N@@H+](CCC1CC1)Cc1cccc2[nH+]ccn21 ZINC000180766950 385546005 /nfs/dbraw/zinc/54/60/05/385546005.db2.gz NSROXHFHAKCAKS-UHFFFAOYSA-N 2 2 229.327 2.566 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000309347720 385546344 /nfs/dbraw/zinc/54/63/44/385546344.db2.gz MDAQTUNXCXCOFT-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000309347720 385546347 /nfs/dbraw/zinc/54/63/47/385546347.db2.gz MDAQTUNXCXCOFT-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC12CCC2 ZINC000336675921 385600080 /nfs/dbraw/zinc/60/00/80/385600080.db2.gz BRIYFCBYVUWCPH-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC12CCC2 ZINC000336675921 385600085 /nfs/dbraw/zinc/60/00/85/385600085.db2.gz BRIYFCBYVUWCPH-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082830488 385586056 /nfs/dbraw/zinc/58/60/56/385586056.db2.gz PDICLNYMUBWPEV-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000082830488 385586059 /nfs/dbraw/zinc/58/60/59/385586059.db2.gz PDICLNYMUBWPEV-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]([NH2+]CC[NH+](C)C)[C@H](C)C1CCCCC1 ZINC000309495588 385616468 /nfs/dbraw/zinc/61/64/68/385616468.db2.gz TVSQBZGLHVHBID-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](Nc1cc(C)cc[nH+]1)c1[nH+]ccn1C ZINC000182639221 385690828 /nfs/dbraw/zinc/69/08/28/385690828.db2.gz FPCJNWCZILWTSP-NSHDSACASA-N 2 2 230.315 2.687 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCC3)CCC1 ZINC000394857279 385710255 /nfs/dbraw/zinc/71/02/55/385710255.db2.gz IWLDRDMGQUDDCE-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)c1ccc([C@H]([NH3+])C[NH2+]CC2CC2)cc1 ZINC000414852004 385669350 /nfs/dbraw/zinc/66/93/50/385669350.db2.gz VGBWOTYFZDZRRB-OAHLLOKOSA-N 2 2 232.371 2.809 20 0 BFADLP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000488436541 385785983 /nfs/dbraw/zinc/78/59/83/385785983.db2.gz CJDPWPCUSJPZCU-IIAWOOMASA-N 2 2 246.398 2.753 20 0 BFADLP C[C@H](C[NH2+]C[C@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000488436541 385785988 /nfs/dbraw/zinc/78/59/88/385785988.db2.gz CJDPWPCUSJPZCU-IIAWOOMASA-N 2 2 246.398 2.753 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC12CCC2 ZINC000282208131 385741708 /nfs/dbraw/zinc/74/17/08/385741708.db2.gz OGPYYSYPYREABC-CQSZACIVSA-N 2 2 230.355 2.855 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC[NH+]1CCCCC1 ZINC000186230114 385749473 /nfs/dbraw/zinc/74/94/73/385749473.db2.gz MCQLLBLHSBUDRP-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000309629121 385752035 /nfs/dbraw/zinc/75/20/35/385752035.db2.gz QUISSGNUVRLOHQ-IHRRRGAJSA-N 2 2 228.424 2.987 20 0 BFADLP CCC1CC([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000309596928 385724792 /nfs/dbraw/zinc/72/47/92/385724792.db2.gz WJOBLUDMWPOIMK-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1[C@@H]([NH2+]C2CCC3(CC3)CC2)CCC[N@@H+]1C ZINC000488462220 385806245 /nfs/dbraw/zinc/80/62/45/385806245.db2.gz HECLHOXXVXTJOA-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1[C@@H]([NH2+]C2CCC3(CC3)CC2)CCC[N@H+]1C ZINC000488462220 385806247 /nfs/dbraw/zinc/80/62/47/385806247.db2.gz HECLHOXXVXTJOA-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)CC[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414958058 385857911 /nfs/dbraw/zinc/85/79/11/385857911.db2.gz QQKVLSXVCKGRPZ-OAHLLOKOSA-N 2 2 246.398 2.899 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cncs1 ZINC000271576961 385838789 /nfs/dbraw/zinc/83/87/89/385838789.db2.gz ZTAZJCBTEWPYKA-LLVKDONJSA-N 2 2 247.367 2.740 20 0 BFADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000112675598 385841725 /nfs/dbraw/zinc/84/17/25/385841725.db2.gz JIJWBKCIZPOROM-OLZOCXBDSA-N 2 2 221.348 2.714 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[N@H+](C)C1CC1 ZINC000337989866 385869787 /nfs/dbraw/zinc/86/97/87/385869787.db2.gz RMZKRYVPPOFZRF-KCPJHIHWSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CCC1)[N@@H+](C)C1CC1 ZINC000337989866 385869790 /nfs/dbraw/zinc/86/97/90/385869790.db2.gz RMZKRYVPPOFZRF-KCPJHIHWSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)CCC[N@@H+]1C ZINC000338015032 385879299 /nfs/dbraw/zinc/87/92/99/385879299.db2.gz VCMBZQNHKZQNNC-BEAPCOKYSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)CCC[N@H+]1C ZINC000338015032 385879303 /nfs/dbraw/zinc/87/93/03/385879303.db2.gz VCMBZQNHKZQNNC-BEAPCOKYSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)[C@H]1CC1(C)C ZINC000414145001 385991832 /nfs/dbraw/zinc/99/18/32/385991832.db2.gz ULLXJPDEDGTMDK-UPJWGTAASA-N 2 2 247.386 2.612 20 0 BFADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@H]1C[C@H]1C ZINC000414058805 385935790 /nfs/dbraw/zinc/93/57/90/385935790.db2.gz HVODOHWIIXFBFA-BZPMIXESSA-N 2 2 243.354 2.511 20 0 BFADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@@H]1C[C@H]1C ZINC000414058808 385935965 /nfs/dbraw/zinc/93/59/65/385935965.db2.gz HVODOHWIIXFBFA-YRGRVCCFSA-N 2 2 243.354 2.511 20 0 BFADLP C[C@@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)CC[N@@H+]1C ZINC000335053663 385953875 /nfs/dbraw/zinc/95/38/75/385953875.db2.gz KCCJMUNZAARELS-BXUZGUMPSA-N 2 2 245.370 2.549 20 0 BFADLP C[C@@H]1C[C@H](Nc2ccc3c(c2)CC[NH2+]3)CC[N@H+]1C ZINC000335053663 385953880 /nfs/dbraw/zinc/95/38/80/385953880.db2.gz KCCJMUNZAARELS-BXUZGUMPSA-N 2 2 245.370 2.549 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H]1C[C@@H]1C ZINC000414110076 385969198 /nfs/dbraw/zinc/96/91/98/385969198.db2.gz LMKOZTXXHYRDLG-QIRZIZBZSA-N 2 2 236.403 2.636 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H]1C[C@@H]1C ZINC000414110076 385969202 /nfs/dbraw/zinc/96/92/02/385969202.db2.gz LMKOZTXXHYRDLG-QIRZIZBZSA-N 2 2 236.403 2.636 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414122311 385971250 /nfs/dbraw/zinc/97/12/50/385971250.db2.gz ILLZDQOQGKLPIE-NFAWXSAZSA-N 2 2 249.402 2.767 20 0 BFADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1C[C@H]1C ZINC000414116129 386008514 /nfs/dbraw/zinc/00/85/14/386008514.db2.gz QGAIJLKVZSMXIC-AGIUHOORSA-N 2 2 233.359 2.518 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000414170413 386017208 /nfs/dbraw/zinc/01/72/08/386017208.db2.gz BWQSSBJOWNFMDA-WFASDCNBSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000414170413 386017214 /nfs/dbraw/zinc/01/72/14/386017214.db2.gz BWQSSBJOWNFMDA-WFASDCNBSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000414170410 386017464 /nfs/dbraw/zinc/01/74/64/386017464.db2.gz BWQSSBJOWNFMDA-DOMZBBRYSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000414170410 386017474 /nfs/dbraw/zinc/01/74/74/386017474.db2.gz BWQSSBJOWNFMDA-DOMZBBRYSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000335060386 386023271 /nfs/dbraw/zinc/02/32/71/386023271.db2.gz HLDAUMBYHYEAFD-BXUZGUMPSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414158220 386042324 /nfs/dbraw/zinc/04/23/24/386042324.db2.gz XOPLGQPGWZJYSS-MQYQWHSLSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414158220 386042329 /nfs/dbraw/zinc/04/23/29/386042329.db2.gz XOPLGQPGWZJYSS-MQYQWHSLSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000287251441 386106274 /nfs/dbraw/zinc/10/62/74/386106274.db2.gz ZLGKCBNJLOACIS-IMJJTQAJSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000414302569 386080671 /nfs/dbraw/zinc/08/06/71/386080671.db2.gz MQCOVWOFZDGBJT-SYQHCUMBSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000414302569 386080674 /nfs/dbraw/zinc/08/06/74/386080674.db2.gz MQCOVWOFZDGBJT-SYQHCUMBSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000414674365 386148639 /nfs/dbraw/zinc/14/86/39/386148639.db2.gz RTBSYEKMAOGXFP-JSGCOSHPSA-N 2 2 235.375 2.525 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000414674365 386148645 /nfs/dbraw/zinc/14/86/45/386148645.db2.gz RTBSYEKMAOGXFP-JSGCOSHPSA-N 2 2 235.375 2.525 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000414674369 386149999 /nfs/dbraw/zinc/14/99/99/386149999.db2.gz RTBSYEKMAOGXFP-TZMCWYRMSA-N 2 2 235.375 2.525 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000414674369 386150002 /nfs/dbraw/zinc/15/00/02/386150002.db2.gz RTBSYEKMAOGXFP-TZMCWYRMSA-N 2 2 235.375 2.525 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000414686371 386174232 /nfs/dbraw/zinc/17/42/32/386174232.db2.gz AHALCMRITCABOQ-OLZOCXBDSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000414686371 386174236 /nfs/dbraw/zinc/17/42/36/386174236.db2.gz AHALCMRITCABOQ-OLZOCXBDSA-N 2 2 226.408 2.870 20 0 BFADLP C[C@@H]1CCC[C@H](C)C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414690833 386185007 /nfs/dbraw/zinc/18/50/07/386185007.db2.gz ASRBSXRLQRWWOK-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414690833 386185014 /nfs/dbraw/zinc/18/50/14/386185014.db2.gz ASRBSXRLQRWWOK-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414988291 386130876 /nfs/dbraw/zinc/13/08/76/386130876.db2.gz ZNZURLDCKQKGSH-VIFPVBQESA-N 2 2 247.169 2.820 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)C(C)(C)C ZINC000414348532 386138679 /nfs/dbraw/zinc/13/86/79/386138679.db2.gz RZVOTNZJQMWFGU-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000414348532 386138684 /nfs/dbraw/zinc/13/86/84/386138684.db2.gz RZVOTNZJQMWFGU-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP [NH3+]CC[C@H]([NH2+]CCCC1CCCCC1)C(F)F ZINC000414999413 386210444 /nfs/dbraw/zinc/21/04/44/386210444.db2.gz VLONCNDQYIFIDO-LBPRGKRZSA-N 2 2 248.361 2.919 20 0 BFADLP CS[C@@H]1CCCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414703220 386211200 /nfs/dbraw/zinc/21/12/00/386211200.db2.gz IOABDAFMPAKRFE-GFCCVEGCSA-N 2 2 244.448 2.592 20 0 BFADLP CS[C@@H]1CCCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414703220 386211203 /nfs/dbraw/zinc/21/12/03/386211203.db2.gz IOABDAFMPAKRFE-GFCCVEGCSA-N 2 2 244.448 2.592 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275598199 386224005 /nfs/dbraw/zinc/22/40/05/386224005.db2.gz PLLSKTBWJAOUKP-HOTGVXAUSA-N 2 2 246.398 2.549 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](C)[NH+](C)C)CCC2 ZINC000339067904 386232165 /nfs/dbraw/zinc/23/21/65/386232165.db2.gz HWFOIONLRPMJDJ-CZUORRHYSA-N 2 2 246.398 2.912 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347125368 386236765 /nfs/dbraw/zinc/23/67/65/386236765.db2.gz KHIFMYWKDAGTCG-HNNXBMFYSA-N 2 2 248.370 2.971 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000347125368 386236766 /nfs/dbraw/zinc/23/67/66/386236766.db2.gz KHIFMYWKDAGTCG-HNNXBMFYSA-N 2 2 248.370 2.971 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347125369 386237202 /nfs/dbraw/zinc/23/72/02/386237202.db2.gz KHIFMYWKDAGTCG-OAHLLOKOSA-N 2 2 248.370 2.971 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000347125369 386237203 /nfs/dbraw/zinc/23/72/03/386237203.db2.gz KHIFMYWKDAGTCG-OAHLLOKOSA-N 2 2 248.370 2.971 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)[NH+](C)C ZINC000638349511 386238759 /nfs/dbraw/zinc/23/87/59/386238759.db2.gz OIICBZHLPALPGY-TUAOUCFPSA-N 2 2 248.361 2.596 20 0 BFADLP Cc1cc(C[N@@H+]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000347084475 386241753 /nfs/dbraw/zinc/24/17/53/386241753.db2.gz CATZORUVYDLFAR-GFCCVEGCSA-N 2 2 238.762 2.572 20 0 BFADLP Cc1cc(C[N@H+]2CCC[C@@H]2C[NH3+])ccc1Cl ZINC000347084475 386241757 /nfs/dbraw/zinc/24/17/57/386241757.db2.gz CATZORUVYDLFAR-GFCCVEGCSA-N 2 2 238.762 2.572 20 0 BFADLP C[C@@H]1Cc2ccccc2C[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414718781 386244181 /nfs/dbraw/zinc/24/41/81/386244181.db2.gz ZPSIQVAWACIZIY-CYBMUJFWSA-N 2 2 246.398 2.821 20 0 BFADLP C[C@@H]1Cc2ccccc2C[N@H+]1CC[NH2+]C(C)(C)C ZINC000414718781 386244185 /nfs/dbraw/zinc/24/41/85/386244185.db2.gz ZPSIQVAWACIZIY-CYBMUJFWSA-N 2 2 246.398 2.821 20 0 BFADLP CC[NH+](CC)CCCc1c[nH+]ccc1C ZINC000288954151 386244697 /nfs/dbraw/zinc/24/46/97/386244697.db2.gz AIXTYNAKWJNAME-UHFFFAOYSA-N 2 2 206.333 2.664 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365635588 386251614 /nfs/dbraw/zinc/25/16/14/386251614.db2.gz HJVFIELSJXQLQZ-ZDUSSCGKSA-N 2 2 235.375 2.646 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365635588 386251620 /nfs/dbraw/zinc/25/16/20/386251620.db2.gz HJVFIELSJXQLQZ-ZDUSSCGKSA-N 2 2 235.375 2.646 20 0 BFADLP CCC1(C)C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000297419227 386254382 /nfs/dbraw/zinc/25/43/82/386254382.db2.gz NEUTYXYXBALHDU-UHFFFAOYSA-N 2 2 229.327 2.566 20 0 BFADLP CC[C@@]1(C)CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414694374 386192122 /nfs/dbraw/zinc/19/21/22/386192122.db2.gz FVKGIQGXHDFTDJ-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@@]1(C)CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414694374 386192124 /nfs/dbraw/zinc/19/21/24/386192124.db2.gz FVKGIQGXHDFTDJ-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1CCCCC1 ZINC000289307214 386282727 /nfs/dbraw/zinc/28/27/27/386282727.db2.gz RRZVVKQDFULWBV-UHFFFAOYSA-N 2 2 218.344 2.809 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000336665412 386289501 /nfs/dbraw/zinc/28/95/01/386289501.db2.gz FRGKMZSUKLHGLO-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000336665412 386289504 /nfs/dbraw/zinc/28/95/04/386289504.db2.gz FRGKMZSUKLHGLO-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000276384584 386314076 /nfs/dbraw/zinc/31/40/76/386314076.db2.gz BEMODZPSMZHMLC-HOTGVXAUSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000415006344 386316716 /nfs/dbraw/zinc/31/67/16/386316716.db2.gz KJWMOBMPBCCTEN-HTQZYQBOSA-N 2 2 247.169 2.819 20 0 BFADLP CC(C)(C)CC[NH2+]CCCNc1cccc[nH+]1 ZINC000188271495 386348133 /nfs/dbraw/zinc/34/81/33/386348133.db2.gz JMZSZTNEOVEMFM-UHFFFAOYSA-N 2 2 235.375 2.909 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000334447247 386367284 /nfs/dbraw/zinc/36/72/84/386367284.db2.gz LRNYZPCFIMUBKG-BXKDBHETSA-N 2 2 240.297 2.546 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000334447247 386367290 /nfs/dbraw/zinc/36/72/90/386367290.db2.gz LRNYZPCFIMUBKG-BXKDBHETSA-N 2 2 240.297 2.546 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C1CCC1 ZINC000289987817 386380121 /nfs/dbraw/zinc/38/01/21/386380121.db2.gz KCBYPRRTWJRNIU-UHFFFAOYSA-N 2 2 218.344 2.807 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+](C)C1CCC1 ZINC000289987817 386380126 /nfs/dbraw/zinc/38/01/26/386380126.db2.gz KCBYPRRTWJRNIU-UHFFFAOYSA-N 2 2 218.344 2.807 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336681620 386337196 /nfs/dbraw/zinc/33/71/96/386337196.db2.gz RBWJWWMNCABCTK-NEPJUHHUSA-N 2 2 221.348 2.635 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000336681620 386337198 /nfs/dbraw/zinc/33/71/98/386337198.db2.gz RBWJWWMNCABCTK-NEPJUHHUSA-N 2 2 221.348 2.635 20 0 BFADLP CC(C)(C)C1CC([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000339463763 386441912 /nfs/dbraw/zinc/44/19/12/386441912.db2.gz DXBGKRFCCPSCBR-CPCZMJQVSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)C1CC([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000339463763 386441919 /nfs/dbraw/zinc/44/19/19/386441919.db2.gz DXBGKRFCCPSCBR-CPCZMJQVSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000094075050 386443079 /nfs/dbraw/zinc/44/30/79/386443079.db2.gz ZGVXBJUAKRUANW-JSGCOSHPSA-N 2 2 240.350 2.852 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)CC12CCC2 ZINC000414759110 386408450 /nfs/dbraw/zinc/40/84/50/386408450.db2.gz NSPUARABXASOAF-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)CC12CCC2 ZINC000414759110 386408452 /nfs/dbraw/zinc/40/84/52/386408452.db2.gz NSPUARABXASOAF-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000442664821 386411885 /nfs/dbraw/zinc/41/18/85/386411885.db2.gz KTTQJWLDVLVTDV-COPLHBTASA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@@H]1c1cccc(F)c1 ZINC000442664821 386411894 /nfs/dbraw/zinc/41/18/94/386411894.db2.gz KTTQJWLDVLVTDV-COPLHBTASA-N 2 2 236.334 2.556 20 0 BFADLP C[NH+]1CCC([N@@H+](Cc2ccco2)CC2CC2)CC1 ZINC000290445762 386435459 /nfs/dbraw/zinc/43/54/59/386435459.db2.gz MAXJVNOPQBURIZ-UHFFFAOYSA-N 2 2 248.370 2.586 20 0 BFADLP C[NH+]1CCC([N@H+](Cc2ccco2)CC2CC2)CC1 ZINC000290445762 386435464 /nfs/dbraw/zinc/43/54/64/386435464.db2.gz MAXJVNOPQBURIZ-UHFFFAOYSA-N 2 2 248.370 2.586 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417356699 386493318 /nfs/dbraw/zinc/49/33/18/386493318.db2.gz PVZZBXXJVCSZGS-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000415042270 386529481 /nfs/dbraw/zinc/52/94/81/386529481.db2.gz QLFSAFMRIJDFIA-GFCCVEGCSA-N 2 2 238.762 2.570 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000336771387 386498924 /nfs/dbraw/zinc/49/89/24/386498924.db2.gz XIAGYMNEOIBFCK-QWHCGFSZSA-N 2 2 214.397 2.741 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000415034860 386521250 /nfs/dbraw/zinc/52/12/50/386521250.db2.gz IHGRQBUKOIORTI-LBPRGKRZSA-N 2 2 238.762 2.570 20 0 BFADLP c1c[nH+]c(C2CC[NH+]([C@H]3C=CCCC3)CC2)[nH]1 ZINC000266706984 386461521 /nfs/dbraw/zinc/46/15/21/386461521.db2.gz DSXTTXNVBMHLJN-ZDUSSCGKSA-N 2 2 231.343 2.698 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000394863068 386462204 /nfs/dbraw/zinc/46/22/04/386462204.db2.gz NJCWMAIVDRLWOH-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CCC2 ZINC000394863068 386462213 /nfs/dbraw/zinc/46/22/13/386462213.db2.gz NJCWMAIVDRLWOH-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)Cc1ccc(C[N@H+](C)[C@H]2CC[NH2+]C2)cc1 ZINC000094901303 386463736 /nfs/dbraw/zinc/46/37/36/386463736.db2.gz VCPAYYOKOKLSSM-INIZCTEOSA-N 2 2 246.398 2.679 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)cc1 ZINC000094901303 386463738 /nfs/dbraw/zinc/46/37/38/386463738.db2.gz VCPAYYOKOKLSSM-INIZCTEOSA-N 2 2 246.398 2.679 20 0 BFADLP Cc1ccc(F)c(C[NH2+][C@@H](C[NH3+])C(C)(C)C)c1 ZINC000415053450 386534389 /nfs/dbraw/zinc/53/43/89/386534389.db2.gz JXTGWPFRDHFKMO-ZDUSSCGKSA-N 2 2 238.350 2.597 20 0 BFADLP CCSCC[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000336755310 386534645 /nfs/dbraw/zinc/53/46/45/386534645.db2.gz GJGQDIJFMXLKPC-OLZOCXBDSA-N 2 2 244.448 2.592 20 0 BFADLP CCSCC[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000336755310 386534651 /nfs/dbraw/zinc/53/46/51/386534651.db2.gz GJGQDIJFMXLKPC-OLZOCXBDSA-N 2 2 244.448 2.592 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](Cc2csc3ccccc23)C1 ZINC000123226528 386547038 /nfs/dbraw/zinc/54/70/38/386547038.db2.gz QHRIYVUOYUIDEM-GFCCVEGCSA-N 2 2 246.379 2.695 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000123226528 386547043 /nfs/dbraw/zinc/54/70/43/386547043.db2.gz QHRIYVUOYUIDEM-GFCCVEGCSA-N 2 2 246.379 2.695 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CC(C)C1 ZINC000415068906 386550600 /nfs/dbraw/zinc/55/06/00/386550600.db2.gz RRLPWLPRVJYPFC-ABIUDSBCSA-N 2 2 232.371 2.637 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000063191486 386553001 /nfs/dbraw/zinc/55/30/01/386553001.db2.gz GHDJLQPJIYYEJQ-FZMZJTMJSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000063191486 386553003 /nfs/dbraw/zinc/55/30/03/386553003.db2.gz GHDJLQPJIYYEJQ-FZMZJTMJSA-N 2 2 236.334 2.527 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1C ZINC000415073005 386560075 /nfs/dbraw/zinc/56/00/75/386560075.db2.gz XUQHKUGXROYAMH-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(F)cc1Cl ZINC000414794800 386560993 /nfs/dbraw/zinc/56/09/93/386560993.db2.gz MFKLWJVTKSGHBJ-LBPRGKRZSA-N 2 2 244.741 2.552 20 0 BFADLP CCc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000123537081 386568587 /nfs/dbraw/zinc/56/85/87/386568587.db2.gz FHUWBLHKWLJRDW-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000123537081 386568593 /nfs/dbraw/zinc/56/85/93/386568593.db2.gz FHUWBLHKWLJRDW-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccs1 ZINC000335498200 386623733 /nfs/dbraw/zinc/62/37/33/386623733.db2.gz FNSFOHPMUZDPNR-QWRGUYRKSA-N 2 2 224.373 2.541 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000335498312 386624127 /nfs/dbraw/zinc/62/41/27/386624127.db2.gz JKDFVRNTKZWETH-NEPJUHHUSA-N 2 2 238.400 2.849 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000337179161 386636856 /nfs/dbraw/zinc/63/68/56/386636856.db2.gz LHXIWUYRPJWXHM-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000337179161 386636862 /nfs/dbraw/zinc/63/68/62/386636862.db2.gz LHXIWUYRPJWXHM-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000337179161 386636868 /nfs/dbraw/zinc/63/68/68/386636868.db2.gz LHXIWUYRPJWXHM-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000337179161 386636876 /nfs/dbraw/zinc/63/68/76/386636876.db2.gz LHXIWUYRPJWXHM-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(C)ccc1F ZINC000414813133 386642017 /nfs/dbraw/zinc/64/20/17/386642017.db2.gz LYOZMEKRVCHZPO-CYBMUJFWSA-N 2 2 238.350 2.741 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+]CC1([NH+](C)C)CC1 ZINC000417375252 386645869 /nfs/dbraw/zinc/64/58/69/386645869.db2.gz BPKBBHUVHGTUKB-HNNXBMFYSA-N 2 2 244.382 2.666 20 0 BFADLP CC(C)([NH3+])C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414802214 386601930 /nfs/dbraw/zinc/60/19/30/386601930.db2.gz KLGNPTXQBRUEBT-UHFFFAOYSA-N 2 2 247.169 2.820 20 0 BFADLP C[N@H+](CC(C)(C)[NH3+])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000415107653 386618032 /nfs/dbraw/zinc/61/80/32/386618032.db2.gz JLJFCPIDBRGOIF-HUUCEWRRSA-N 2 2 246.398 2.992 20 0 BFADLP C[N@@H+](CC(C)(C)[NH3+])[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000415107653 386618038 /nfs/dbraw/zinc/61/80/38/386618038.db2.gz JLJFCPIDBRGOIF-HUUCEWRRSA-N 2 2 246.398 2.992 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cs1 ZINC000335495763 386618223 /nfs/dbraw/zinc/61/82/23/386618223.db2.gz LWXOEYNLAFSPCQ-YPMHNXCESA-N 2 2 238.400 2.849 20 0 BFADLP C[C@@H]([NH2+]CC[NH+](C)C)c1cccc(C2CC2)c1 ZINC000340395459 386681726 /nfs/dbraw/zinc/68/17/26/386681726.db2.gz QAUFUQCRNRLMKN-GFCCVEGCSA-N 2 2 232.371 2.776 20 0 BFADLP CC1(C)CCC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414826846 386686281 /nfs/dbraw/zinc/68/62/81/386686281.db2.gz GISBPHUCDVGRIR-KBPBESRZSA-N 2 2 232.371 2.855 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000043324592 386702711 /nfs/dbraw/zinc/70/27/11/386702711.db2.gz OPIXWDLHEZGHHE-GXFFZTMASA-N 2 2 238.762 2.743 20 0 BFADLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CC1)[NH+](C)C ZINC000268834102 386702975 /nfs/dbraw/zinc/70/29/75/386702975.db2.gz DAGVQSDQGGLSLD-BBRMVZONSA-N 2 2 246.398 2.547 20 0 BFADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccccc1Cl ZINC000414837756 386734255 /nfs/dbraw/zinc/73/42/55/386734255.db2.gz JVPZJVPPKLKBLI-LBPRGKRZSA-N 2 2 240.778 2.803 20 0 BFADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccccc1Cl ZINC000414837755 386735103 /nfs/dbraw/zinc/73/51/03/386735103.db2.gz JVPZJVPPKLKBLI-GFCCVEGCSA-N 2 2 240.778 2.803 20 0 BFADLP C[C@@H](c1cccc(F)c1)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335486073 386716797 /nfs/dbraw/zinc/71/67/97/386716797.db2.gz GTMWUXXRQNHDRB-LBPRGKRZSA-N 2 2 248.345 2.715 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000414834974 386725154 /nfs/dbraw/zinc/72/51/54/386725154.db2.gz UKRSCBUPLFXPHX-UHFFFAOYSA-N 2 2 240.778 2.656 20 0 BFADLP Cc1ccc(CCC[NH2+]C2(C3CC3)CC2)c[nH+]1 ZINC000526989101 386725402 /nfs/dbraw/zinc/72/54/02/386725402.db2.gz ZYUPLBIYHYEJFJ-UHFFFAOYSA-N 2 2 230.355 2.855 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000414933825 386790498 /nfs/dbraw/zinc/79/04/98/386790498.db2.gz BCYFZHLNTYJHMP-ZBFHGGJFSA-N 2 2 246.398 2.842 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](CCCc2ccccc2C)C1 ZINC000339903171 386779226 /nfs/dbraw/zinc/77/92/26/386779226.db2.gz ROMKLSVDVWYRNO-MRXNPFEDSA-N 2 2 246.398 2.611 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](CCCc2ccccc2C)C1 ZINC000339903171 386779234 /nfs/dbraw/zinc/77/92/34/386779234.db2.gz ROMKLSVDVWYRNO-MRXNPFEDSA-N 2 2 246.398 2.611 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](CCCc2ccccc2C)C1 ZINC000339903170 386779911 /nfs/dbraw/zinc/77/99/11/386779911.db2.gz ROMKLSVDVWYRNO-INIZCTEOSA-N 2 2 246.398 2.611 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](CCCc2ccccc2C)C1 ZINC000339903170 386779918 /nfs/dbraw/zinc/77/99/18/386779918.db2.gz ROMKLSVDVWYRNO-INIZCTEOSA-N 2 2 246.398 2.611 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1 ZINC000414936459 386831897 /nfs/dbraw/zinc/83/18/97/386831897.db2.gz CTVJKKXUGVCBTK-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1sccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000293529483 386832944 /nfs/dbraw/zinc/83/29/44/386832944.db2.gz JGRQIXIBXVMDCH-LLVKDONJSA-N 2 2 249.383 2.679 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000301652374 386862784 /nfs/dbraw/zinc/86/27/84/386862784.db2.gz TUBRKPHVJZJNDD-CYBMUJFWSA-N 2 2 235.375 2.778 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000336744718 386877524 /nfs/dbraw/zinc/87/75/24/386877524.db2.gz VCQMMKMCMLHMJK-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000336744718 386877530 /nfs/dbraw/zinc/87/75/30/386877530.db2.gz VCQMMKMCMLHMJK-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[NH+](C)CCNc1cc[nH+]c2c(Cl)cccc12 ZINC000341287909 386879789 /nfs/dbraw/zinc/87/97/89/386879789.db2.gz LPROKTCLMUSQJM-UHFFFAOYSA-N 2 2 249.745 2.862 20 0 BFADLP [NH3+]C1CCC([NH2+]c2ccc3c(c2)CCCN3)CC1 ZINC000334862307 386915133 /nfs/dbraw/zinc/91/51/33/386915133.db2.gz JRMSIUJMDSHMCM-UHFFFAOYSA-N 2 2 245.370 2.727 20 0 BFADLP [NH3+]C1CCC(Nc2ccc3c(c2)CCC[NH2+]3)CC1 ZINC000334862307 386915137 /nfs/dbraw/zinc/91/51/37/386915137.db2.gz JRMSIUJMDSHMCM-UHFFFAOYSA-N 2 2 245.370 2.727 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2Cl)CC[NH2+]1 ZINC000334868844 386927618 /nfs/dbraw/zinc/92/76/18/386927618.db2.gz MUWSOBQUJORPDQ-PSASIEDQSA-N 2 2 244.791 2.632 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000334874500 386935059 /nfs/dbraw/zinc/93/50/59/386935059.db2.gz NVOAXBREHFDGLX-VIFPVBQESA-N 2 2 244.791 2.632 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000358386481 386947934 /nfs/dbraw/zinc/94/79/34/386947934.db2.gz AOFWTXSOCARFCA-VHDGCEQUSA-N 2 2 232.371 2.677 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000358386481 386947937 /nfs/dbraw/zinc/94/79/37/386947937.db2.gz AOFWTXSOCARFCA-VHDGCEQUSA-N 2 2 232.371 2.677 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]CC[N@H+](C)C(C)C ZINC000116387582 386944148 /nfs/dbraw/zinc/94/41/48/386944148.db2.gz YUJYPSFNFBGHIF-INIZCTEOSA-N 2 2 248.414 2.938 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]CC[N@@H+](C)C(C)C ZINC000116387582 386944152 /nfs/dbraw/zinc/94/41/52/386944152.db2.gz YUJYPSFNFBGHIF-INIZCTEOSA-N 2 2 248.414 2.938 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CCC1 ZINC000246974931 387131294 /nfs/dbraw/zinc/13/12/94/387131294.db2.gz JJCXQUUIMMJVOA-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CCC1 ZINC000246974931 387131299 /nfs/dbraw/zinc/13/12/99/387131299.db2.gz JJCXQUUIMMJVOA-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]C1CCCCC1)CCCC2 ZINC000370262800 387104313 /nfs/dbraw/zinc/10/43/13/387104313.db2.gz SOWDHEZKOHPFOT-UHFFFAOYSA-N 2 2 233.359 2.642 20 0 BFADLP Cc1ccc(Cn2c[nH+]c3c2CCCC3)c(C)[nH+]1 ZINC000336273828 387106390 /nfs/dbraw/zinc/10/63/90/387106390.db2.gz UVVWYAXXEDTBDB-UHFFFAOYSA-N 2 2 241.338 2.822 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1CCc2c1cccc2C ZINC000423308773 387143146 /nfs/dbraw/zinc/14/31/46/387143146.db2.gz JZDGGAARAPXDTG-HNNXBMFYSA-N 2 2 232.371 2.572 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000336319253 387144162 /nfs/dbraw/zinc/14/41/62/387144162.db2.gz XYPDOFNSSPWBST-OCCSQVGLSA-N 2 2 247.386 2.756 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000423311783 387149131 /nfs/dbraw/zinc/14/91/31/387149131.db2.gz QOVVXOOYRAQOLH-WFASDCNBSA-N 2 2 232.371 2.509 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423312160 387149358 /nfs/dbraw/zinc/14/93/58/387149358.db2.gz RIMBACUCWYSROU-OAHLLOKOSA-N 2 2 247.386 2.512 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1CCCc2ccccc21 ZINC000423317043 387155996 /nfs/dbraw/zinc/15/59/96/387155996.db2.gz YMXYOSVVEKVRRJ-HNNXBMFYSA-N 2 2 232.371 2.653 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cc2ccccc2o1 ZINC000423318281 387158683 /nfs/dbraw/zinc/15/86/83/387158683.db2.gz DKORPZPISNCRCC-NSHDSACASA-N 2 2 244.338 2.965 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC23CCCC3)CCC[N@@H+]1C ZINC000353247561 387163255 /nfs/dbraw/zinc/16/32/55/387163255.db2.gz IIXHFRKIFAJASK-HZSPNIEDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC23CCCC3)CCC[N@H+]1C ZINC000353247561 387163260 /nfs/dbraw/zinc/16/32/60/387163260.db2.gz IIXHFRKIFAJASK-HZSPNIEDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000423321451 387165777 /nfs/dbraw/zinc/16/57/77/387165777.db2.gz HNZDQFRWRZJORL-VXGBXAGGSA-N 2 2 244.338 2.944 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[NH+]1CCCC1 ZINC000187099390 387170944 /nfs/dbraw/zinc/17/09/44/387170944.db2.gz UDVNCQYOXAOZLQ-CABCVRRESA-N 2 2 236.403 2.664 20 0 BFADLP CCCc1cccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000187163383 387172660 /nfs/dbraw/zinc/17/26/60/387172660.db2.gz RFLLPXCZEOPNDS-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1cccc(C[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000187163383 387172663 /nfs/dbraw/zinc/17/26/63/387172663.db2.gz RFLLPXCZEOPNDS-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000187163363 387173505 /nfs/dbraw/zinc/17/35/05/387173505.db2.gz RFLLPXCZEOPNDS-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1cccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000187163363 387173509 /nfs/dbraw/zinc/17/35/09/387173509.db2.gz RFLLPXCZEOPNDS-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000423334881 387179868 /nfs/dbraw/zinc/17/98/68/387179868.db2.gz SVJJIWAKMCKMLA-KHQFGBGNSA-N 2 2 242.413 2.610 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423334889 387181187 /nfs/dbraw/zinc/18/11/87/387181187.db2.gz SVJJIWAKMCKMLA-WEDXCCLWSA-N 2 2 242.413 2.610 20 0 BFADLP CC(C)C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccccn1 ZINC000423334361 387181737 /nfs/dbraw/zinc/18/17/37/387181737.db2.gz SUDHXZLOKLSGBL-CQSZACIVSA-N 2 2 247.386 2.640 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2(C)CCCC2)C[N@@H+]1C1CC1 ZINC000119454052 387134191 /nfs/dbraw/zinc/13/41/91/387134191.db2.gz AVYJKDDSOJSLHK-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2(C)CCCC2)C[N@H+]1C1CC1 ZINC000119454052 387134195 /nfs/dbraw/zinc/13/41/95/387134195.db2.gz AVYJKDDSOJSLHK-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)o1 ZINC000423302609 387135830 /nfs/dbraw/zinc/13/58/30/387135830.db2.gz VVAQUMRSWMHVGP-NWDGAFQWSA-N 2 2 224.348 2.756 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423353079 387205109 /nfs/dbraw/zinc/20/51/09/387205109.db2.gz CHBIPCQMYSGXSP-GZBFAFLISA-N 2 2 244.382 2.885 20 0 BFADLP Cc1ccc(CCC[N@@H+](C)CC2CC2)c[nH+]1 ZINC000353446769 387205294 /nfs/dbraw/zinc/20/52/94/387205294.db2.gz ITDLKTBDESFBLC-UHFFFAOYSA-N 2 2 218.344 2.664 20 0 BFADLP Cc1ccc(CCC[N@H+](C)CC2CC2)c[nH+]1 ZINC000353446769 387205296 /nfs/dbraw/zinc/20/52/96/387205296.db2.gz ITDLKTBDESFBLC-UHFFFAOYSA-N 2 2 218.344 2.664 20 0 BFADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423358163 387209380 /nfs/dbraw/zinc/20/93/80/387209380.db2.gz BGVNTVXYDHVPOV-GXSJLCMTSA-N 2 2 232.327 2.739 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423358328 387210459 /nfs/dbraw/zinc/21/04/59/387210459.db2.gz JMIYYMCROFDITB-DZKIICNBSA-N 2 2 246.398 2.952 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccsc1 ZINC000423358295 387210677 /nfs/dbraw/zinc/21/06/77/387210677.db2.gz JGNWTWDATIHAMK-KGYLQXTDSA-N 2 2 238.400 2.787 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC3CCC2CC3)C[N@@H+]1C1CC1 ZINC000336795686 387213902 /nfs/dbraw/zinc/21/39/02/387213902.db2.gz MNGJUNGZGMZGCR-KMUFZGBWSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC3CCC2CC3)C[N@H+]1C1CC1 ZINC000336795686 387213906 /nfs/dbraw/zinc/21/39/06/387213906.db2.gz MNGJUNGZGMZGCR-KMUFZGBWSA-N 2 2 248.414 2.780 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1cccs1 ZINC000423369902 387224382 /nfs/dbraw/zinc/22/43/82/387224382.db2.gz CNUGACNAJBRWTM-MNOVXSKESA-N 2 2 226.389 2.787 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423370116 387224935 /nfs/dbraw/zinc/22/49/35/387224935.db2.gz UDZDRSWKHUBSGW-UHOFOFEASA-N 2 2 244.382 2.570 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423373087 387226130 /nfs/dbraw/zinc/22/61/30/387226130.db2.gz WESJUKNWPSEIOI-USWWRNFRSA-N 2 2 238.400 2.705 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423373085 387226437 /nfs/dbraw/zinc/22/64/37/387226437.db2.gz WESJUKNWPSEIOI-ADEWGFFLSA-N 2 2 238.400 2.705 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000423372099 387226754 /nfs/dbraw/zinc/22/67/54/387226754.db2.gz HWPHUIUIVVKFDU-GUYJKWIASA-N 2 2 244.382 2.650 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423398443 387231292 /nfs/dbraw/zinc/23/12/92/387231292.db2.gz VKSHMHONEBBHBN-OCCSQVGLSA-N 2 2 247.386 2.510 20 0 BFADLP C[NH+](C)C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000120354389 387231875 /nfs/dbraw/zinc/23/18/75/387231875.db2.gz WHDQSRIBGZLASN-RMKNXTFCSA-N 2 2 244.382 2.726 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353627081 387245681 /nfs/dbraw/zinc/24/56/81/387245681.db2.gz JTFXJIZPSGWGRS-UTUOFQBUSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353627081 387245685 /nfs/dbraw/zinc/24/56/85/387245685.db2.gz JTFXJIZPSGWGRS-UTUOFQBUSA-N 2 2 247.386 2.681 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000423462187 387310926 /nfs/dbraw/zinc/31/09/26/387310926.db2.gz KPCKIKOENSAQBM-YUMQZZPRSA-N 2 2 232.780 2.789 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1cccs1 ZINC000423375252 387256589 /nfs/dbraw/zinc/25/65/89/387256589.db2.gz XSLKXLJMOVVRCA-GRYCIOLGSA-N 2 2 238.400 2.787 20 0 BFADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423375601 387258027 /nfs/dbraw/zinc/25/80/27/387258027.db2.gz UHBQCLBAJMHCES-DTWKUNHWSA-N 2 2 241.404 2.573 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423375933 387258066 /nfs/dbraw/zinc/25/80/66/387258066.db2.gz YCIJCDQWGIIVNL-IPYPFGDCSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cs1 ZINC000423375011 387258149 /nfs/dbraw/zinc/25/81/49/387258149.db2.gz XHOYQPQHFONUTH-XHVZSJERSA-N 2 2 238.400 2.705 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H](C)[NH2+]CC)c1cccnc1 ZINC000423378436 387259441 /nfs/dbraw/zinc/25/94/41/387259441.db2.gz LBPZKVAQOYMRNP-TZMCWYRMSA-N 2 2 235.375 2.510 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccccc1 ZINC000423379508 387262052 /nfs/dbraw/zinc/26/20/52/387262052.db2.gz MAEAECHENMZSDM-OCCSQVGLSA-N 2 2 220.360 2.725 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000360330365 387266302 /nfs/dbraw/zinc/26/63/02/387266302.db2.gz TZJMTALXLLIINY-IPYPFGDCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000360330365 387266305 /nfs/dbraw/zinc/26/63/05/387266305.db2.gz TZJMTALXLLIINY-IPYPFGDCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000423386328 387270298 /nfs/dbraw/zinc/27/02/98/387270298.db2.gz RNUZTAVBBMYNOB-KGLIPLIRSA-N 2 2 234.387 2.952 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000423387630 387270954 /nfs/dbraw/zinc/27/09/54/387270954.db2.gz SRFMDLLEVUJTHF-OLZOCXBDSA-N 2 2 220.360 2.644 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000423391565 387276640 /nfs/dbraw/zinc/27/66/40/387276640.db2.gz XBQIKPGAVLKGAI-OLZOCXBDSA-N 2 2 246.398 2.824 20 0 BFADLP C[NH2+][C@@H](C)C[NH2+][C@H](C)c1ccccc1SC ZINC000423392067 387276723 /nfs/dbraw/zinc/27/67/23/387276723.db2.gz OAQPFAFZQABXMB-WDEREUQCSA-N 2 2 238.400 2.667 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC[C@H](F)C3)n2c1 ZINC000336493450 387318233 /nfs/dbraw/zinc/31/82/33/387318233.db2.gz YEUSZGHWPKNPQZ-NWDGAFQWSA-N 2 2 247.317 2.623 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C(C)C ZINC000423439739 387291235 /nfs/dbraw/zinc/29/12/35/387291235.db2.gz VKWJNVDUWKEYDO-HOTGVXAUSA-N 2 2 246.398 2.898 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1Cl ZINC000423456970 387303069 /nfs/dbraw/zinc/30/30/69/387303069.db2.gz FCCPLGDHFLFOLK-UWVGGRQHSA-N 2 2 226.751 2.728 20 0 BFADLP CCC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000643453350 387369057 /nfs/dbraw/zinc/36/90/57/387369057.db2.gz BMPAQCDAZFXNLZ-NFAWXSAZSA-N 2 2 247.386 2.653 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423545789 387369941 /nfs/dbraw/zinc/36/99/41/387369941.db2.gz DRUABDQARUHPEV-XJKSGUPXSA-N 2 2 244.382 2.714 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000423566326 387377136 /nfs/dbraw/zinc/37/71/36/387377136.db2.gz UCOIXDOWFZFJCO-GJZGRUSLSA-N 2 2 232.371 2.869 20 0 BFADLP Cc1occc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336516369 387340591 /nfs/dbraw/zinc/34/05/91/387340591.db2.gz XDZDLTOSBCUAKU-RISCZKNCSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336516369 387340594 /nfs/dbraw/zinc/34/05/94/387340594.db2.gz XDZDLTOSBCUAKU-RISCZKNCSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336516369 387340596 /nfs/dbraw/zinc/34/05/96/387340596.db2.gz XDZDLTOSBCUAKU-RISCZKNCSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000336516369 387340600 /nfs/dbraw/zinc/34/06/00/387340600.db2.gz XDZDLTOSBCUAKU-RISCZKNCSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336516368 387340674 /nfs/dbraw/zinc/34/06/74/387340674.db2.gz XDZDLTOSBCUAKU-FZMZJTMJSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336516368 387340678 /nfs/dbraw/zinc/34/06/78/387340678.db2.gz XDZDLTOSBCUAKU-FZMZJTMJSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336516368 387340683 /nfs/dbraw/zinc/34/06/83/387340683.db2.gz XDZDLTOSBCUAKU-FZMZJTMJSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336516368 387340687 /nfs/dbraw/zinc/34/06/87/387340687.db2.gz XDZDLTOSBCUAKU-FZMZJTMJSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@H](C)F ZINC000354201731 387342343 /nfs/dbraw/zinc/34/23/43/387342343.db2.gz YAWGZQPQGDFBKW-LBPRGKRZSA-N 2 2 224.323 2.660 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643500947 387347619 /nfs/dbraw/zinc/34/76/19/387347619.db2.gz KEGNEXCDFMEYSW-NEPJUHHUSA-N 2 2 238.400 2.849 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643500894 387348429 /nfs/dbraw/zinc/34/84/29/387348429.db2.gz GMSSZALLPCGCJC-ZBFHGGJFSA-N 2 2 244.382 2.714 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)C(C)C ZINC000423514393 387351174 /nfs/dbraw/zinc/35/11/74/387351174.db2.gz WKXHIZCDWUOJMC-SWLSCSKDSA-N 2 2 234.387 2.883 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)C(C)C ZINC000423514392 387351485 /nfs/dbraw/zinc/35/14/85/387351485.db2.gz WKXHIZCDWUOJMC-IUODEOHRSA-N 2 2 234.387 2.883 20 0 BFADLP c1[nH]cc(C2CC[NH+](C3CCCC3)CC2)[nH+]1 ZINC000336528107 387353193 /nfs/dbraw/zinc/35/31/93/387353193.db2.gz UGYOJZBHRAFWEA-UHFFFAOYSA-N 2 2 219.332 2.532 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000643468945 387425136 /nfs/dbraw/zinc/42/51/36/387425136.db2.gz PUKYBPVTPJONCA-DAXOMENPSA-N 2 2 244.382 2.712 20 0 BFADLP CCCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374201443 387430454 /nfs/dbraw/zinc/43/04/54/387430454.db2.gz VVYUIZGLZXFJNT-UHFFFAOYSA-N 2 2 221.348 2.779 20 0 BFADLP CC(C)CC[C@@H]([NH2+][C@H](C)C[NH+](C)C)C1CC1 ZINC000304269046 387454772 /nfs/dbraw/zinc/45/47/72/387454772.db2.gz CELACRIKLMSDDA-TZMCWYRMSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400795205 387391045 /nfs/dbraw/zinc/39/10/45/387391045.db2.gz SRVRPBMTSBDJDJ-IPYPFGDCSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)s1 ZINC000643506521 387460071 /nfs/dbraw/zinc/46/00/71/387460071.db2.gz ZTKNYFUXZLNZIW-MRVPVSSYSA-N 2 2 244.791 2.804 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H](C)c2ccon2)c[nH+]1 ZINC000354650206 387411642 /nfs/dbraw/zinc/41/16/42/387411642.db2.gz OOGFLTHFORBBJR-GFCCVEGCSA-N 2 2 245.326 2.661 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C[N@@H+]1C1CC1 ZINC000324671653 387499173 /nfs/dbraw/zinc/49/91/73/387499173.db2.gz LARDKAAQNXUWPF-DJSGYFEHSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C[N@H+]1C1CC1 ZINC000324671653 387499175 /nfs/dbraw/zinc/49/91/75/387499175.db2.gz LARDKAAQNXUWPF-DJSGYFEHSA-N 2 2 248.414 2.780 20 0 BFADLP c1cn(CCC[N@H+](CC2CC2)C2CCC2)c[nH+]1 ZINC000361586776 387504743 /nfs/dbraw/zinc/50/47/43/387504743.db2.gz UJDUYUAXAMJCRK-UHFFFAOYSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CCC[N@@H+](CC2CC2)C2CCC2)c[nH+]1 ZINC000361586776 387504744 /nfs/dbraw/zinc/50/47/44/387504744.db2.gz UJDUYUAXAMJCRK-UHFFFAOYSA-N 2 2 233.359 2.538 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)C1(C)CC1)CCC2 ZINC000361670689 387520662 /nfs/dbraw/zinc/52/06/62/387520662.db2.gz KSXFEHIPEFEGJC-STQMWFEESA-N 2 2 247.386 2.847 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375315744 387526707 /nfs/dbraw/zinc/52/67/07/387526707.db2.gz CGZRCYMQYZMIPJ-GFCCVEGCSA-N 2 2 247.386 2.888 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000643506256 387466151 /nfs/dbraw/zinc/46/61/51/387466151.db2.gz PVUUYSGCHIQQJF-CYBMUJFWSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]CC[NH2+]C2CC2)C[C@@H]1c1ccccc1 ZINC000643507888 387479724 /nfs/dbraw/zinc/47/97/24/387479724.db2.gz VANQSTODJCJEGJ-RCBQFDQVSA-N 2 2 244.382 2.520 20 0 BFADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1cccc(C)c1 ZINC000643507431 387483595 /nfs/dbraw/zinc/48/35/95/387483595.db2.gz CZAOWCWNKGYMQR-HNNXBMFYSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)C1(C)CC1 ZINC000040767707 387582440 /nfs/dbraw/zinc/58/24/40/387582440.db2.gz JOQXULZXTOYLTO-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000422552924 387598790 /nfs/dbraw/zinc/59/87/90/387598790.db2.gz IQGLDSYRQUBAKY-BLLLJJGKSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCCCC1 ZINC000037228675 387563165 /nfs/dbraw/zinc/56/31/65/387563165.db2.gz NFGGGDLKNYCXSE-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)c1ccc(C)cc1 ZINC000038088672 387573294 /nfs/dbraw/zinc/57/32/94/387573294.db2.gz CYIBOIXJFOVRKF-DZGCQCFKSA-N 2 2 234.387 2.986 20 0 BFADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[NH+](C)C ZINC000035708311 387579796 /nfs/dbraw/zinc/57/97/96/387579796.db2.gz OKFNZCAHKQXSNY-MGPQQGTHSA-N 2 2 226.408 2.598 20 0 BFADLP CC[NH+](CC)[C@@H](C[NH2+]C(C)C)Cc1ccccc1 ZINC000125172722 387645429 /nfs/dbraw/zinc/64/54/29/387645429.db2.gz XDAIWXNGRSNWHM-MRXNPFEDSA-N 2 2 248.414 2.938 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527670650 387654662 /nfs/dbraw/zinc/65/46/62/387654662.db2.gz MEQNIAKDESJUCS-KNYNKSNXSA-N 2 2 248.414 2.636 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527670650 387654665 /nfs/dbraw/zinc/65/46/65/387654665.db2.gz MEQNIAKDESJUCS-KNYNKSNXSA-N 2 2 248.414 2.636 20 0 BFADLP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C(C)C)C1 ZINC000125519748 387658453 /nfs/dbraw/zinc/65/84/53/387658453.db2.gz JHMHCVMZSYRFCL-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C(C)C)C1 ZINC000125519748 387658457 /nfs/dbraw/zinc/65/84/57/387658457.db2.gz JHMHCVMZSYRFCL-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527688634 387658575 /nfs/dbraw/zinc/65/85/75/387658575.db2.gz WJCKRORISIAQIP-KCXAZCMYSA-N 2 2 244.382 2.957 20 0 BFADLP CC[N@H+](CC[NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000362923058 387672321 /nfs/dbraw/zinc/67/23/21/387672321.db2.gz PWQMNZOKTPBMGX-UHFFFAOYSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+](CC[NH2+]C1CCC2(CC2)CC1)C1CC1 ZINC000362923058 387672326 /nfs/dbraw/zinc/67/23/26/387672326.db2.gz PWQMNZOKTPBMGX-UHFFFAOYSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@H](F)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000440714267 387681858 /nfs/dbraw/zinc/68/18/58/387681858.db2.gz QILDUPLJZLTDJQ-LBPRGKRZSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000440714267 387681867 /nfs/dbraw/zinc/68/18/67/387681867.db2.gz QILDUPLJZLTDJQ-LBPRGKRZSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000440780546 387696272 /nfs/dbraw/zinc/69/62/72/387696272.db2.gz GXFXRSUIGRMCOL-KBPBESRZSA-N 2 2 242.382 2.685 20 0 BFADLP CC[C@H](F)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000440780546 387696278 /nfs/dbraw/zinc/69/62/78/387696278.db2.gz GXFXRSUIGRMCOL-KBPBESRZSA-N 2 2 242.382 2.685 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422786150 387686305 /nfs/dbraw/zinc/68/63/05/387686305.db2.gz SDQSLVJSTFZTBD-HOCLYGCPSA-N 2 2 246.398 2.842 20 0 BFADLP CC[C@@H](F)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000440762350 387687727 /nfs/dbraw/zinc/68/77/27/387687727.db2.gz HQJYSPPHHQNUKZ-OLZOCXBDSA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@@H](F)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000440762350 387687733 /nfs/dbraw/zinc/68/77/33/387687733.db2.gz HQJYSPPHHQNUKZ-OLZOCXBDSA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@@H](F)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000440762350 387687736 /nfs/dbraw/zinc/68/77/36/387687736.db2.gz HQJYSPPHHQNUKZ-OLZOCXBDSA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@@H](F)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000440762350 387687740 /nfs/dbraw/zinc/68/77/40/387687740.db2.gz HQJYSPPHHQNUKZ-OLZOCXBDSA-N 2 2 230.371 2.541 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684133 387688086 /nfs/dbraw/zinc/68/80/86/387688086.db2.gz OHSKECZAPMTTMW-DZGCQCFKSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684133 387688091 /nfs/dbraw/zinc/68/80/91/387688091.db2.gz OHSKECZAPMTTMW-DZGCQCFKSA-N 2 2 244.382 2.882 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685040 387688166 /nfs/dbraw/zinc/68/81/66/387688166.db2.gz QNCDZCCAJUJKTR-CHWSQXEVSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685040 387688168 /nfs/dbraw/zinc/68/81/68/387688168.db2.gz QNCDZCCAJUJKTR-CHWSQXEVSA-N 2 2 224.392 2.637 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044683894 387688972 /nfs/dbraw/zinc/68/89/72/387688972.db2.gz JQGNGFQZENXJTR-OAHLLOKOSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044683894 387688979 /nfs/dbraw/zinc/68/89/79/387688979.db2.gz JQGNGFQZENXJTR-OAHLLOKOSA-N 2 2 244.382 2.575 20 0 BFADLP CC[C@@H](F)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000440796398 387693046 /nfs/dbraw/zinc/69/30/46/387693046.db2.gz WTJICABZALLJGE-UONOGXRCSA-N 2 2 242.382 2.542 20 0 BFADLP CC[C@@H](F)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000440796398 387693053 /nfs/dbraw/zinc/69/30/53/387693053.db2.gz WTJICABZALLJGE-UONOGXRCSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]1CCC(C)(C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000452017209 387701261 /nfs/dbraw/zinc/70/12/61/387701261.db2.gz XAKBXEKAFXMBKJ-GFCCVEGCSA-N 2 2 221.348 2.536 20 0 BFADLP C[C@@H]1CCC(C)(C)[N@H+]1CCCn1cc[nH+]c1 ZINC000452017209 387701267 /nfs/dbraw/zinc/70/12/67/387701267.db2.gz XAKBXEKAFXMBKJ-GFCCVEGCSA-N 2 2 221.348 2.536 20 0 BFADLP c1[nH]cc(C2CC[NH+](CC3=CCCC3)CC2)[nH+]1 ZINC000645833589 387707745 /nfs/dbraw/zinc/70/77/45/387707745.db2.gz GEPGDDVKEMUMDX-UHFFFAOYSA-N 2 2 231.343 2.699 20 0 BFADLP Cc1ccc(C[N@H+](C)CCn2cc[nH+]c2)cc1C ZINC000452049728 387712792 /nfs/dbraw/zinc/71/27/92/387712792.db2.gz UGPOAUVHHLJOAF-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP Cc1ccc(C[N@@H+](C)CCn2cc[nH+]c2)cc1C ZINC000452049728 387712797 /nfs/dbraw/zinc/71/27/97/387712797.db2.gz UGPOAUVHHLJOAF-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP CC(C)C(C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000377397865 387715553 /nfs/dbraw/zinc/71/55/53/387715553.db2.gz IKDMHGUPHZFXAV-LBPRGKRZSA-N 2 2 249.402 2.785 20 0 BFADLP CC(C)C(C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000377397865 387715559 /nfs/dbraw/zinc/71/55/59/387715559.db2.gz IKDMHGUPHZFXAV-LBPRGKRZSA-N 2 2 249.402 2.785 20 0 BFADLP Cc1ccc(C[NH+]2CCC([NH+]3CCCC3)CC2)o1 ZINC000127713132 387726513 /nfs/dbraw/zinc/72/65/13/387726513.db2.gz ORDSCMJHIWZLAR-UHFFFAOYSA-N 2 2 248.370 2.648 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1C[C@H]1C ZINC000527810513 387730998 /nfs/dbraw/zinc/73/09/98/387730998.db2.gz OSXMUABLKPMVIB-DHMWGJHJSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1C[C@H]1C ZINC000527810513 387731002 /nfs/dbraw/zinc/73/10/02/387731002.db2.gz OSXMUABLKPMVIB-DHMWGJHJSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527806342 387731189 /nfs/dbraw/zinc/73/11/89/387731189.db2.gz JHCNCBHGJANULI-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527806342 387731196 /nfs/dbraw/zinc/73/11/96/387731196.db2.gz JHCNCBHGJANULI-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP C([NH2+]C1CCCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527811010 387732823 /nfs/dbraw/zinc/73/28/23/387732823.db2.gz WMFCUBNVFTVBID-OAHLLOKOSA-N 2 2 236.403 2.926 20 0 BFADLP C([NH2+]C1CCCCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000527811010 387732830 /nfs/dbraw/zinc/73/28/30/387732830.db2.gz WMFCUBNVFTVBID-OAHLLOKOSA-N 2 2 236.403 2.926 20 0 BFADLP CC(C)[N@H+](CCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000452101354 387735237 /nfs/dbraw/zinc/73/52/37/387735237.db2.gz GHHLNHKMOWYRRQ-UHFFFAOYSA-N 2 2 235.375 2.782 20 0 BFADLP CC(C)[N@@H+](CCn1cc[nH+]c1)C1CC(C)(C)C1 ZINC000452101354 387735246 /nfs/dbraw/zinc/73/52/46/387735246.db2.gz GHHLNHKMOWYRRQ-UHFFFAOYSA-N 2 2 235.375 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)[C@H]1CC12CC2 ZINC000527868881 387740044 /nfs/dbraw/zinc/74/00/44/387740044.db2.gz UOADHBMNURKUNY-RWMBFGLXSA-N 2 2 245.370 2.539 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)[C@@H]1CC12CC2 ZINC000527868879 387741587 /nfs/dbraw/zinc/74/15/87/387741587.db2.gz UOADHBMNURKUNY-AVGNSLFASA-N 2 2 245.370 2.539 20 0 BFADLP C[C@H]([NH3+])C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000643527430 387766324 /nfs/dbraw/zinc/76/63/24/387766324.db2.gz MUXNHMZSWXERHS-NSHDSACASA-N 2 2 238.334 2.693 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000378365184 387782328 /nfs/dbraw/zinc/78/23/28/387782328.db2.gz UCYAVDQFXUHFGG-LBPRGKRZSA-N 2 2 235.375 2.646 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000378365184 387782332 /nfs/dbraw/zinc/78/23/32/387782332.db2.gz UCYAVDQFXUHFGG-LBPRGKRZSA-N 2 2 235.375 2.646 20 0 BFADLP CC[C@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422980701 387790809 /nfs/dbraw/zinc/79/08/09/387790809.db2.gz QQGBZOIALORRFE-QQVOCNMXSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422979972 387791237 /nfs/dbraw/zinc/79/12/37/387791237.db2.gz OCTTYCOXGJHZLL-HWHJAYSBSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)[C@H]1C ZINC000527997758 387805979 /nfs/dbraw/zinc/80/59/79/387805979.db2.gz AVFCESOGYDUEDG-DHMWGJHJSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)[C@H]1C ZINC000527997758 387805982 /nfs/dbraw/zinc/80/59/82/387805982.db2.gz AVFCESOGYDUEDG-DHMWGJHJSA-N 2 2 236.403 2.637 20 0 BFADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528001220 387808360 /nfs/dbraw/zinc/80/83/60/387808360.db2.gz LZNYMWXRZSIMSJ-ARLBYUKCSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528001220 387808364 /nfs/dbraw/zinc/80/83/64/387808364.db2.gz LZNYMWXRZSIMSJ-ARLBYUKCSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000442658880 387810800 /nfs/dbraw/zinc/81/08/00/387810800.db2.gz AGCUUCUKNIVFFX-COPLHBTASA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@@H]1c1cccc(F)c1 ZINC000442658880 387810802 /nfs/dbraw/zinc/81/08/02/387810802.db2.gz AGCUUCUKNIVFFX-COPLHBTASA-N 2 2 236.334 2.556 20 0 BFADLP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@H](C)[NH3+])cc1 ZINC000442660091 387817526 /nfs/dbraw/zinc/81/75/26/387817526.db2.gz LUJOGIKVISBEDT-WFASDCNBSA-N 2 2 248.370 2.569 20 0 BFADLP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H](C)[NH3+])cc1 ZINC000442660091 387817527 /nfs/dbraw/zinc/81/75/27/387817527.db2.gz LUJOGIKVISBEDT-WFASDCNBSA-N 2 2 248.370 2.569 20 0 BFADLP C[C@H]1CCC[C@@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000151671907 387875277 /nfs/dbraw/zinc/87/52/77/387875277.db2.gz LYKOZFYPXYHJJA-HOCLYGCPSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000151671907 387875281 /nfs/dbraw/zinc/87/52/81/387875281.db2.gz LYKOZFYPXYHJJA-HOCLYGCPSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000444000930 387878951 /nfs/dbraw/zinc/87/89/51/387878951.db2.gz AKNXABZJNXMOIX-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000444000930 387878956 /nfs/dbraw/zinc/87/89/56/387878956.db2.gz AKNXABZJNXMOIX-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cccc(NC[C@H]2CC[N@@H+]2C2CCCC2)[nH+]1 ZINC000528212358 387879883 /nfs/dbraw/zinc/87/98/83/387879883.db2.gz WQJIAALVVNSSLT-CQSZACIVSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cccc(NC[C@H]2CC[N@H+]2C2CCCC2)[nH+]1 ZINC000528212358 387879888 /nfs/dbraw/zinc/87/98/88/387879888.db2.gz WQJIAALVVNSSLT-CQSZACIVSA-N 2 2 245.370 2.819 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000444000929 387880255 /nfs/dbraw/zinc/88/02/55/387880255.db2.gz AKNXABZJNXMOIX-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000444000929 387880258 /nfs/dbraw/zinc/88/02/58/387880258.db2.gz AKNXABZJNXMOIX-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[N@H+](C)C1CC1 ZINC000194429143 387881962 /nfs/dbraw/zinc/88/19/62/387881962.db2.gz DDBGHBKAPLZCER-ZIAGYGMSSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH2+]C[C@@H](C)c1ccccc1)[N@@H+](C)C1CC1 ZINC000194429143 387881966 /nfs/dbraw/zinc/88/19/66/387881966.db2.gz DDBGHBKAPLZCER-ZIAGYGMSSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000194429155 387882282 /nfs/dbraw/zinc/88/22/82/387882282.db2.gz DDBGHBKAPLZCER-KBPBESRZSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000194429155 387882288 /nfs/dbraw/zinc/88/22/88/387882288.db2.gz DDBGHBKAPLZCER-KBPBESRZSA-N 2 2 246.398 2.862 20 0 BFADLP CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000221161198 387929993 /nfs/dbraw/zinc/92/99/93/387929993.db2.gz BKPUHTYVBGSODO-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000221161198 387929996 /nfs/dbraw/zinc/92/99/96/387929996.db2.gz BKPUHTYVBGSODO-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP CCC[C@@]1(C)CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459349531 387931673 /nfs/dbraw/zinc/93/16/73/387931673.db2.gz FDPWEGQWLAKSER-HNNXBMFYSA-N 2 2 249.402 2.865 20 0 BFADLP CCC[C@@]1(C)CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459349531 387931679 /nfs/dbraw/zinc/93/16/79/387931679.db2.gz FDPWEGQWLAKSER-HNNXBMFYSA-N 2 2 249.402 2.865 20 0 BFADLP C[C@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000044353257 387936587 /nfs/dbraw/zinc/93/65/87/387936587.db2.gz IFVRMNIVDLEZGP-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000423144737 387919946 /nfs/dbraw/zinc/91/99/46/387919946.db2.gz HUMFKIKVXNRYGI-REWJHTLYSA-N 2 2 234.318 2.611 20 0 BFADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000423144733 387920298 /nfs/dbraw/zinc/92/02/98/387920298.db2.gz HUMFKIKVXNRYGI-DGAVXFQQSA-N 2 2 234.318 2.611 20 0 BFADLP CC(C)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000444751072 387921359 /nfs/dbraw/zinc/92/13/59/387921359.db2.gz MULMYSVXIWBSTO-CQSZACIVSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000444751072 387921362 /nfs/dbraw/zinc/92/13/62/387921362.db2.gz MULMYSVXIWBSTO-CQSZACIVSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423144616 387921468 /nfs/dbraw/zinc/92/14/68/387921468.db2.gz HNRYBONWMFZMQD-ABAIWWIYSA-N 2 2 230.355 2.577 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000396667957 387941010 /nfs/dbraw/zinc/94/10/10/387941010.db2.gz POKAWKQIBCQHEH-GXFFZTMASA-N 2 2 238.762 2.570 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000423175953 387961450 /nfs/dbraw/zinc/96/14/50/387961450.db2.gz FVHRXJCTSNXBBF-ZDUSSCGKSA-N 2 2 247.386 2.702 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045105673 387964679 /nfs/dbraw/zinc/96/46/79/387964679.db2.gz HJKFHPVUYLTPQI-QWHCGFSZSA-N 2 2 223.364 2.688 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)o1 ZINC000423177083 387965000 /nfs/dbraw/zinc/96/50/00/387965000.db2.gz ABRUDXOYYNJVDP-HIFRSBDPSA-N 2 2 248.370 2.771 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1C ZINC000423180517 387965859 /nfs/dbraw/zinc/96/58/59/387965859.db2.gz FBNJOXIGQYQVBQ-DZGCQCFKSA-N 2 2 232.371 2.706 20 0 BFADLP c1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423182173 387967579 /nfs/dbraw/zinc/96/75/79/387967579.db2.gz GMWQWTFHGHNUBX-GDBMZVCRSA-N 2 2 244.382 2.796 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)o1 ZINC000423185312 387970385 /nfs/dbraw/zinc/97/03/85/387970385.db2.gz UZWWIIDBARTJQU-LBPRGKRZSA-N 2 2 236.359 2.900 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423197265 387981355 /nfs/dbraw/zinc/98/13/55/387981355.db2.gz YRAZZQKKRVPKDG-CABCVRRESA-N 2 2 232.371 2.788 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423197072 387981465 /nfs/dbraw/zinc/98/14/65/387981465.db2.gz XPTXBJPJSWREEV-WBMJQRKESA-N 2 2 244.382 2.967 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423188591 387972708 /nfs/dbraw/zinc/97/27/08/387972708.db2.gz LRAYEBKBQQAXIN-TYNCELHUSA-N 2 2 230.355 2.577 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423188331 387973116 /nfs/dbraw/zinc/97/31/16/387973116.db2.gz LORWUZGLXQFIQN-CVEARBPZSA-N 2 2 244.382 2.788 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423188589 387974157 /nfs/dbraw/zinc/97/41/57/387974157.db2.gz LRAYEBKBQQAXIN-JMSVASOKSA-N 2 2 230.355 2.577 20 0 BFADLP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000423190077 387975678 /nfs/dbraw/zinc/97/56/78/387975678.db2.gz NJUFGXCBVGCEJQ-DZGCQCFKSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423191270 387975969 /nfs/dbraw/zinc/97/59/69/387975969.db2.gz OWDQKJBRIQPAKH-UONOGXRCSA-N 2 2 236.334 2.618 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000245866165 387988247 /nfs/dbraw/zinc/98/82/47/387988247.db2.gz QDSRADZHMRKURL-MJBXVCDLSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000245866165 387988252 /nfs/dbraw/zinc/98/82/52/387988252.db2.gz QDSRADZHMRKURL-MJBXVCDLSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000245866165 387988256 /nfs/dbraw/zinc/98/82/56/387988256.db2.gz QDSRADZHMRKURL-MJBXVCDLSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000245866165 387988258 /nfs/dbraw/zinc/98/82/58/387988258.db2.gz QDSRADZHMRKURL-MJBXVCDLSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)(C)C ZINC000453114542 387988384 /nfs/dbraw/zinc/98/83/84/387988384.db2.gz VWMCEYFNEADEED-NWDGAFQWSA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000245888605 387990465 /nfs/dbraw/zinc/99/04/65/387990465.db2.gz YMVYPBTUQGCCFY-CABCVRRESA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000245888605 387990469 /nfs/dbraw/zinc/99/04/69/387990469.db2.gz YMVYPBTUQGCCFY-CABCVRRESA-N 2 2 238.419 2.983 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453127332 387990951 /nfs/dbraw/zinc/99/09/51/387990951.db2.gz UEILHLHCUNFKGA-HNNXBMFYSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000453127332 387990957 /nfs/dbraw/zinc/99/09/57/387990957.db2.gz UEILHLHCUNFKGA-HNNXBMFYSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453140554 387994689 /nfs/dbraw/zinc/99/46/89/387994689.db2.gz NJYMGGNTZHEZHL-HFBAOOFYSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453140554 387994695 /nfs/dbraw/zinc/99/46/95/387994695.db2.gz NJYMGGNTZHEZHL-HFBAOOFYSA-N 2 2 248.414 2.637 20 0 BFADLP Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1C ZINC000423210792 387994807 /nfs/dbraw/zinc/99/48/07/387994807.db2.gz XMJQBNRWRCBSPN-ZIAGYGMSSA-N 2 2 232.371 2.624 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccsc1 ZINC000423209994 387994824 /nfs/dbraw/zinc/99/48/24/387994824.db2.gz GNTSGPPNYSRIRR-RYUDHWBXSA-N 2 2 224.373 2.541 20 0 BFADLP CC(C)C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423196960 387981978 /nfs/dbraw/zinc/98/19/78/387981978.db2.gz XASBNKWVIYZOTB-ZFWWWQNUSA-N 2 2 247.386 2.510 20 0 BFADLP CCc1ccc([C@@H](CC)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423210203 387995672 /nfs/dbraw/zinc/99/56/72/387995672.db2.gz WGXBDOULMQKHCD-LSDHHAIUSA-N 2 2 232.371 2.652 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000245982622 387998972 /nfs/dbraw/zinc/99/89/72/387998972.db2.gz HAIUJEVZCBXZJI-JKSUJKDBSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000245982622 387998975 /nfs/dbraw/zinc/99/89/75/387998975.db2.gz HAIUJEVZCBXZJI-JKSUJKDBSA-N 2 2 244.382 2.822 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000423224551 388005128 /nfs/dbraw/zinc/00/51/28/388005128.db2.gz JHUOYIIFTVBDSD-LBPRGKRZSA-N 2 2 228.339 2.710 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000423224549 388005204 /nfs/dbraw/zinc/00/52/04/388005204.db2.gz JHUOYIIFTVBDSD-GFCCVEGCSA-N 2 2 228.339 2.710 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccncc1 ZINC000453192101 388006280 /nfs/dbraw/zinc/00/62/80/388006280.db2.gz IRHIUTNVQBMMCK-SNPRPXQTSA-N 2 2 247.386 2.605 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccncc1 ZINC000453192101 388006283 /nfs/dbraw/zinc/00/62/83/388006283.db2.gz IRHIUTNVQBMMCK-SNPRPXQTSA-N 2 2 247.386 2.605 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000423241675 388023690 /nfs/dbraw/zinc/02/36/90/388023690.db2.gz VDAUYQJJFNHIOW-UONOGXRCSA-N 2 2 236.334 2.618 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000423241676 388023899 /nfs/dbraw/zinc/02/38/99/388023899.db2.gz VDAUYQJJFNHIOW-ZIAGYGMSSA-N 2 2 236.334 2.618 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCC2 ZINC000423241690 388024358 /nfs/dbraw/zinc/02/43/58/388024358.db2.gz VFASNZMTINKJQS-GOEBONIOSA-N 2 2 244.382 2.714 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000423242841 388025459 /nfs/dbraw/zinc/02/54/59/388025459.db2.gz VYSXPEPPVCMVFW-QWRGUYRKSA-N 2 2 238.400 2.713 20 0 BFADLP C[NH2+]CC[NH2+][C@H](CC1CCC1)c1ccccc1 ZINC000423227439 388011693 /nfs/dbraw/zinc/01/16/93/388011693.db2.gz VUBQSPHEEDUIAK-OAHLLOKOSA-N 2 2 232.371 2.727 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H](C2CC2)C2CCC2)CCC1 ZINC000453216256 388013380 /nfs/dbraw/zinc/01/33/80/388013380.db2.gz JIJYUTPTYVRMMI-AWEZNQCLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000423242948 388025801 /nfs/dbraw/zinc/02/58/01/388025801.db2.gz JSVPSFYVKLYCBM-AWEZNQCLSA-N 2 2 232.371 2.608 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000156645580 388014727 /nfs/dbraw/zinc/01/47/27/388014727.db2.gz DLASSNHLXXQORP-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000156645580 388014731 /nfs/dbraw/zinc/01/47/31/388014731.db2.gz DLASSNHLXXQORP-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000423235428 388018390 /nfs/dbraw/zinc/01/83/90/388018390.db2.gz AXFFUDNLXPYZTO-AWEZNQCLSA-N 2 2 238.375 2.956 20 0 BFADLP C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccco1 ZINC000423236508 388020448 /nfs/dbraw/zinc/02/04/48/388020448.db2.gz HJUQGJAPJBPHKK-AAEUAGOBSA-N 2 2 230.311 2.630 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1F ZINC000423237566 388021252 /nfs/dbraw/zinc/02/12/52/388021252.db2.gz PVYRQGIVBHYGMC-FZMZJTMJSA-N 2 2 236.334 2.618 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000423251836 388034138 /nfs/dbraw/zinc/03/41/38/388034138.db2.gz XCTPQBVGYNMNIF-WFASDCNBSA-N 2 2 232.371 2.824 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000423253754 388035003 /nfs/dbraw/zinc/03/50/03/388035003.db2.gz ZRCDQVMGBYSVBJ-SNVBAGLBSA-N 2 2 234.368 2.771 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)oc1C ZINC000423259537 388037869 /nfs/dbraw/zinc/03/78/69/388037869.db2.gz FFJXYTLOZCCSEN-WCQYABFASA-N 2 2 238.375 2.920 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000083055386 388044577 /nfs/dbraw/zinc/04/45/77/388044577.db2.gz WSGXCKIRWDCMQP-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000423242866 388026591 /nfs/dbraw/zinc/02/65/91/388026591.db2.gz JOSCZKSYTBQHFL-SNVBAGLBSA-N 2 2 226.751 2.600 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccc(CC)cc1 ZINC000423245204 388027509 /nfs/dbraw/zinc/02/75/09/388027509.db2.gz LZKPGHNUQPRFSZ-HNNXBMFYSA-N 2 2 234.387 2.899 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000423245019 388027668 /nfs/dbraw/zinc/02/76/68/388027668.db2.gz XZQJNAZWTLBXPE-WBMJQRKESA-N 2 2 244.382 2.967 20 0 BFADLP Fc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423244457 388027759 /nfs/dbraw/zinc/02/77/59/388027759.db2.gz XNYWENAKNTVGKN-LSDHHAIUSA-N 2 2 248.345 2.618 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000423245015 388028713 /nfs/dbraw/zinc/02/87/13/388028713.db2.gz XZQJNAZWTLBXPE-LRDDRELGSA-N 2 2 244.382 2.967 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000423243879 388028868 /nfs/dbraw/zinc/02/88/68/388028868.db2.gz KQKUVZVCYMHMHX-ZDUSSCGKSA-N 2 2 220.360 2.564 20 0 BFADLP Fc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423244455 388029036 /nfs/dbraw/zinc/02/90/36/388029036.db2.gz XNYWENAKNTVGKN-GJZGRUSLSA-N 2 2 248.345 2.618 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)o1 ZINC000423278161 388059123 /nfs/dbraw/zinc/05/91/23/388059123.db2.gz QQXJMMPOLPZTTM-NWDGAFQWSA-N 2 2 224.348 2.612 20 0 BFADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1F ZINC000423279411 388060112 /nfs/dbraw/zinc/06/01/12/388060112.db2.gz SKAIFPFLTBMOJI-NWDGAFQWSA-N 2 2 238.350 2.850 20 0 BFADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1csc(Cl)c1 ZINC000423281253 388063450 /nfs/dbraw/zinc/06/34/50/388063450.db2.gz BAUVYNPTBNANLQ-ZETCQYMHSA-N 2 2 232.780 2.789 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)[C@H]1CCC[C@@H](C)C1 ZINC000453412008 388076625 /nfs/dbraw/zinc/07/66/25/388076625.db2.gz SFSCDBSGYXSSJO-CAEXGNQWSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H]1CCC[C@@H](C)C1 ZINC000453412008 388076627 /nfs/dbraw/zinc/07/66/27/388076627.db2.gz SFSCDBSGYXSSJO-CAEXGNQWSA-N 2 2 238.419 2.741 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CC1 ZINC000447576784 388077948 /nfs/dbraw/zinc/07/79/48/388077948.db2.gz CHCDXHOJUUGTTP-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CC1 ZINC000447576784 388077951 /nfs/dbraw/zinc/07/79/51/388077951.db2.gz CHCDXHOJUUGTTP-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1(C)CC1 ZINC000447599087 388081543 /nfs/dbraw/zinc/08/15/43/388081543.db2.gz IZMOIYMDVSAQFB-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1(C)CC1 ZINC000447599087 388081544 /nfs/dbraw/zinc/08/15/44/388081544.db2.gz IZMOIYMDVSAQFB-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000086662517 388105679 /nfs/dbraw/zinc/10/56/79/388105679.db2.gz ZLSZSYATWDBPAU-CMPLNLGQSA-N 2 2 221.348 2.714 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000086662516 388105702 /nfs/dbraw/zinc/10/57/02/388105702.db2.gz ZLSZSYATWDBPAU-ZYHUDNBSSA-N 2 2 221.348 2.714 20 0 BFADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccco1 ZINC000423269627 388050010 /nfs/dbraw/zinc/05/00/10/388050010.db2.gz VZHAPUVHYSQGPX-AAEUAGOBSA-N 2 2 236.359 2.838 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000449233378 388160450 /nfs/dbraw/zinc/16/04/50/388160450.db2.gz LHHCNYDIYLKRKW-FRRDWIJNSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000449233378 388160451 /nfs/dbraw/zinc/16/04/51/388160451.db2.gz LHHCNYDIYLKRKW-FRRDWIJNSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000449260606 388164077 /nfs/dbraw/zinc/16/40/77/388164077.db2.gz XECVCGFREKYAMK-UONOGXRCSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@H](Cc1coc2ccccc12)[NH2+]CC[NH+](C)C ZINC000449268816 388164817 /nfs/dbraw/zinc/16/48/17/388164817.db2.gz JRBPZLJMCVYSMU-GFCCVEGCSA-N 2 2 246.354 2.515 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449107239 388143576 /nfs/dbraw/zinc/14/35/76/388143576.db2.gz LVRFWUBQOUMURT-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449107239 388143577 /nfs/dbraw/zinc/14/35/77/388143577.db2.gz LVRFWUBQOUMURT-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccc(C2([NH2+]Cc3c[nH+]c[nH]3)CCC2)cc1 ZINC000646130965 388150121 /nfs/dbraw/zinc/15/01/21/388150121.db2.gz VOTKJIZLPAFCKZ-UHFFFAOYSA-N 2 2 241.338 2.887 20 0 BFADLP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000646139082 388153649 /nfs/dbraw/zinc/15/36/49/388153649.db2.gz SCXLCRUFBHSJRY-HUUCEWRRSA-N 2 2 234.387 2.559 20 0 BFADLP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000646139082 388153650 /nfs/dbraw/zinc/15/36/50/388153650.db2.gz SCXLCRUFBHSJRY-HUUCEWRRSA-N 2 2 234.387 2.559 20 0 BFADLP CCCC[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165148325 388251452 /nfs/dbraw/zinc/25/14/52/388251452.db2.gz OOTDJKRBRZEWNY-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000166612094 388255298 /nfs/dbraw/zinc/25/52/98/388255298.db2.gz GJBNRVMYGJDFFU-IHRRRGAJSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000166612094 388255299 /nfs/dbraw/zinc/25/52/99/388255299.db2.gz GJBNRVMYGJDFFU-IHRRRGAJSA-N 2 2 226.408 2.743 20 0 BFADLP CC/C=C\C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449457526 388210771 /nfs/dbraw/zinc/21/07/71/388210771.db2.gz OAEBPEWZUBOJTL-PLNGDYQASA-N 2 2 218.344 2.878 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]CC(C)(C)C2CCC2)[C@@H](C)C1 ZINC000449485747 388216483 /nfs/dbraw/zinc/21/64/83/388216483.db2.gz OOBFPSYRVJUHND-JSGCOSHPSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+]CC(C)(C)C2CCC2)[C@@H](C)C1 ZINC000449485747 388216484 /nfs/dbraw/zinc/21/64/84/388216484.db2.gz OOBFPSYRVJUHND-JSGCOSHPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH3+])[NH2+]C(c1ccccc1)c1ccccc1 ZINC000235448719 388369765 /nfs/dbraw/zinc/36/97/65/388369765.db2.gz KGTLTHHEECJGCU-CYBMUJFWSA-N 2 2 240.350 2.713 20 0 BFADLP CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCC1 ZINC000322608154 388441182 /nfs/dbraw/zinc/44/11/82/388441182.db2.gz ZHQJSERUJDFLCL-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP C/C(Cl)=C/C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000528366630 388450596 /nfs/dbraw/zinc/45/05/96/388450596.db2.gz HUNCQOGGVLRSQU-XGICHPGQSA-N 2 2 244.810 2.934 20 0 BFADLP C/C(Cl)=C/C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000528366630 388450598 /nfs/dbraw/zinc/45/05/98/388450598.db2.gz HUNCQOGGVLRSQU-XGICHPGQSA-N 2 2 244.810 2.934 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336657328 388459637 /nfs/dbraw/zinc/45/96/37/388459637.db2.gz IGEULPPLECOKEK-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336657328 388459639 /nfs/dbraw/zinc/45/96/39/388459639.db2.gz IGEULPPLECOKEK-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309731815 388463118 /nfs/dbraw/zinc/46/31/18/388463118.db2.gz FKWZRMDKBDCCJF-IHRRRGAJSA-N 2 2 224.392 2.661 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309731815 388463119 /nfs/dbraw/zinc/46/31/19/388463119.db2.gz FKWZRMDKBDCCJF-IHRRRGAJSA-N 2 2 224.392 2.661 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309731816 388463278 /nfs/dbraw/zinc/46/32/78/388463278.db2.gz FKWZRMDKBDCCJF-MELADBBJSA-N 2 2 224.392 2.661 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309731816 388463279 /nfs/dbraw/zinc/46/32/79/388463279.db2.gz FKWZRMDKBDCCJF-MELADBBJSA-N 2 2 224.392 2.661 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000309823841 388465758 /nfs/dbraw/zinc/46/57/58/388465758.db2.gz GWXGZPROFNFGFL-NEPJUHHUSA-N 2 2 226.408 2.598 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000309823841 388465760 /nfs/dbraw/zinc/46/57/60/388465760.db2.gz GWXGZPROFNFGFL-NEPJUHHUSA-N 2 2 226.408 2.598 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCCCCC1 ZINC000309843155 388466366 /nfs/dbraw/zinc/46/63/66/388466366.db2.gz FEUSXUCZCMDWMY-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCCCCC1 ZINC000309843152 388467111 /nfs/dbraw/zinc/46/71/11/388467111.db2.gz FEUSXUCZCMDWMY-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccoc1C[NH2+]CCc1cc[nH+]cc1C ZINC000269924439 388470576 /nfs/dbraw/zinc/47/05/76/388470576.db2.gz BOSBUSVFVHDFCE-UHFFFAOYSA-N 2 2 230.311 2.624 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C[C@@H](C)CC(C)C ZINC000310036748 388474565 /nfs/dbraw/zinc/47/45/65/388474565.db2.gz UNIXXWZKCXDEAB-AWEZNQCLSA-N 2 2 228.424 2.990 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C[C@@H](C)CC(C)C ZINC000310036748 388474566 /nfs/dbraw/zinc/47/45/66/388474566.db2.gz UNIXXWZKCXDEAB-AWEZNQCLSA-N 2 2 228.424 2.990 20 0 BFADLP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@H](C)C1 ZINC000575999847 388478511 /nfs/dbraw/zinc/47/85/11/388478511.db2.gz MXVFMUAHAIRTIY-UONOGXRCSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@H](C)C1 ZINC000575999847 388478513 /nfs/dbraw/zinc/47/85/13/388478513.db2.gz MXVFMUAHAIRTIY-UONOGXRCSA-N 2 2 249.402 2.721 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@H](C)C2)C1 ZINC000524771172 388408651 /nfs/dbraw/zinc/40/86/51/388408651.db2.gz PGKQRZZRDSWTQI-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@H](C)C2)C1 ZINC000524771172 388408653 /nfs/dbraw/zinc/40/86/53/388408653.db2.gz PGKQRZZRDSWTQI-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@@H+](C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245693562 388428148 /nfs/dbraw/zinc/42/81/48/388428148.db2.gz WNXGRLKMPIYGGJ-TZMCWYRMSA-N 2 2 233.359 2.709 20 0 BFADLP C[C@@H]1CC[N@H+](C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245693562 388428151 /nfs/dbraw/zinc/42/81/51/388428151.db2.gz WNXGRLKMPIYGGJ-TZMCWYRMSA-N 2 2 233.359 2.709 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000513495515 388430723 /nfs/dbraw/zinc/43/07/23/388430723.db2.gz QOSXMBKLQKFXGH-OCCSQVGLSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000513495515 388430727 /nfs/dbraw/zinc/43/07/27/388430727.db2.gz QOSXMBKLQKFXGH-OCCSQVGLSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000397770417 388497998 /nfs/dbraw/zinc/49/79/98/388497998.db2.gz AFKZRAYALXSHSR-CYBMUJFWSA-N 2 2 232.371 2.740 20 0 BFADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CC1(C)C ZINC000397809322 388500139 /nfs/dbraw/zinc/50/01/39/388500139.db2.gz NYWYTUGBTKQYAU-RYUDHWBXSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1CC1(C)C ZINC000397809320 388501058 /nfs/dbraw/zinc/50/10/58/388501058.db2.gz NYWYTUGBTKQYAU-NWDGAFQWSA-N 2 2 226.408 2.741 20 0 BFADLP CCC1CCC([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000397812192 388501953 /nfs/dbraw/zinc/50/19/53/388501953.db2.gz YYSNJVVVTXGETC-UHFFFAOYSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)[C@@H]1CC1(C)C ZINC000397819403 388501961 /nfs/dbraw/zinc/50/19/61/388501961.db2.gz KIYFYPNKUPZDDP-UBHSHLNASA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CC1(C)C ZINC000397819403 388501963 /nfs/dbraw/zinc/50/19/63/388501963.db2.gz KIYFYPNKUPZDDP-UBHSHLNASA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)[C@@H]1CC1(C)C ZINC000397819405 388502158 /nfs/dbraw/zinc/50/21/58/388502158.db2.gz KIYFYPNKUPZDDP-XBFCOCLRSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)[C@@H]1CC1(C)C ZINC000397819405 388502161 /nfs/dbraw/zinc/50/21/61/388502161.db2.gz KIYFYPNKUPZDDP-XBFCOCLRSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CCCC1 ZINC000397876034 388508049 /nfs/dbraw/zinc/50/80/49/388508049.db2.gz IADJYFFDXDPHCV-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000397936668 388511597 /nfs/dbraw/zinc/51/15/97/388511597.db2.gz SEFNELBWJJXDIV-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000397974300 388513225 /nfs/dbraw/zinc/51/32/25/388513225.db2.gz IXIGVQUFOTXUHX-ZDUSSCGKSA-N 2 2 232.371 2.740 20 0 BFADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000397992780 388514657 /nfs/dbraw/zinc/51/46/57/388514657.db2.gz OVHKOJWZJCMMMR-CQSZACIVSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000398041553 388515654 /nfs/dbraw/zinc/51/56/54/388515654.db2.gz QNNQFVPNKCACCV-DOMZBBRYSA-N 2 2 232.371 2.855 20 0 BFADLP CC[NH+]1CCC([N@H+](C)C/C=C(\C)Cl)CC1 ZINC000528399447 388519908 /nfs/dbraw/zinc/51/99/08/388519908.db2.gz XEJNCXDBWXPWAI-VZUCSPMQSA-N 2 2 230.783 2.545 20 0 BFADLP CC[NH+]1CCC([N@@H+](C)C/C=C(\C)Cl)CC1 ZINC000528399447 388519910 /nfs/dbraw/zinc/51/99/10/388519910.db2.gz XEJNCXDBWXPWAI-VZUCSPMQSA-N 2 2 230.783 2.545 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000186245993 388599390 /nfs/dbraw/zinc/59/93/90/388599390.db2.gz CAWYTNQGSUGTHO-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000550937623 388618207 /nfs/dbraw/zinc/61/82/07/388618207.db2.gz KFTZZESSJKOSEA-VNHYZAJKSA-N 2 2 234.387 2.558 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000550937623 388618210 /nfs/dbraw/zinc/61/82/10/388618210.db2.gz KFTZZESSJKOSEA-VNHYZAJKSA-N 2 2 234.387 2.558 20 0 BFADLP Cc1ccc(Cn2cc[nH+]c2C2CC2)c(C)[nH+]1 ZINC000530129080 388613622 /nfs/dbraw/zinc/61/36/22/388613622.db2.gz HDURMUDGBKDYHN-UHFFFAOYSA-N 2 2 227.311 2.821 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C(C)(C)C ZINC000521273511 388567665 /nfs/dbraw/zinc/56/76/65/388567665.db2.gz ULECJHYREZTSTL-LBPRGKRZSA-N 2 2 223.364 2.643 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549524238 388583415 /nfs/dbraw/zinc/58/34/15/388583415.db2.gz IDQBRATYDVUGCU-BPUTZDHNSA-N 2 2 246.398 2.720 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000549524238 388583416 /nfs/dbraw/zinc/58/34/16/388583416.db2.gz IDQBRATYDVUGCU-BPUTZDHNSA-N 2 2 246.398 2.720 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000552061753 388665158 /nfs/dbraw/zinc/66/51/58/388665158.db2.gz YTACCTVXFCLGMG-HUUCEWRRSA-N 2 2 232.371 2.957 20 0 BFADLP CC(C)c1[nH+]ccn1CCC[NH+]1CCCCC1 ZINC000191838295 388671659 /nfs/dbraw/zinc/67/16/59/388671659.db2.gz SOURMAYOOBPUQB-UHFFFAOYSA-N 2 2 235.375 2.883 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccsc1 ZINC000530218210 388631585 /nfs/dbraw/zinc/63/15/85/388631585.db2.gz IERSEDALXLVCGO-PWSUYJOCSA-N 2 2 236.384 2.683 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1 ZINC000530223481 388634389 /nfs/dbraw/zinc/63/43/89/388634389.db2.gz SPFOJCAHHRREHI-HIFRSBDPSA-N 2 2 244.382 2.930 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000222826293 388644767 /nfs/dbraw/zinc/64/47/67/388644767.db2.gz SGTIVJGIXMLIAS-MGPQQGTHSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000222826293 388644769 /nfs/dbraw/zinc/64/47/69/388644769.db2.gz SGTIVJGIXMLIAS-MGPQQGTHSA-N 2 2 234.387 2.558 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000552043967 388664288 /nfs/dbraw/zinc/66/42/88/388664288.db2.gz IZGULKZATTYAPJ-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000552043967 388664290 /nfs/dbraw/zinc/66/42/90/388664290.db2.gz IZGULKZATTYAPJ-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CCCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000249946906 388735273 /nfs/dbraw/zinc/73/52/73/388735273.db2.gz ZRPRVDLHTYZOOR-ZIAGYGMSSA-N 2 2 224.392 2.783 20 0 BFADLP CCCCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000249946906 388735276 /nfs/dbraw/zinc/73/52/76/388735276.db2.gz ZRPRVDLHTYZOOR-ZIAGYGMSSA-N 2 2 224.392 2.783 20 0 BFADLP CCCC[C@@H](CCC)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000223195097 388688554 /nfs/dbraw/zinc/68/85/54/388688554.db2.gz VXFXWJZMJZVBBV-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](CCC)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000223195097 388688557 /nfs/dbraw/zinc/68/85/57/388688557.db2.gz VXFXWJZMJZVBBV-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000248845517 388695229 /nfs/dbraw/zinc/69/52/29/388695229.db2.gz HSIVGWOMKRDQMJ-DYEKYZERSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC(C)(C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000248845517 388695231 /nfs/dbraw/zinc/69/52/31/388695231.db2.gz HSIVGWOMKRDQMJ-DYEKYZERSA-N 2 2 238.419 2.883 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccccc1 ZINC000066189401 388712316 /nfs/dbraw/zinc/71/23/16/388712316.db2.gz ZLYZWFANLZPACA-AWEZNQCLSA-N 2 2 220.360 2.727 20 0 BFADLP CC[N@H+](CCC1CC[NH2+]CC1)c1ccccc1 ZINC000034972508 388804617 /nfs/dbraw/zinc/80/46/17/388804617.db2.gz UUBAFRXGJSAVCP-UHFFFAOYSA-N 2 2 232.371 2.903 20 0 BFADLP CC[N@@H+](CCC1CC[NH2+]CC1)c1ccccc1 ZINC000034972508 388804619 /nfs/dbraw/zinc/80/46/19/388804619.db2.gz UUBAFRXGJSAVCP-UHFFFAOYSA-N 2 2 232.371 2.903 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@@H+]1C1CC1 ZINC000252713081 388773863 /nfs/dbraw/zinc/77/38/63/388773863.db2.gz OGQIHPYKCBWFEQ-CXTNEJHOSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000252713081 388773867 /nfs/dbraw/zinc/77/38/67/388773867.db2.gz OGQIHPYKCBWFEQ-CXTNEJHOSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC2(C)C)C[N@@H+]1C1CC1 ZINC000252715220 388775640 /nfs/dbraw/zinc/77/56/40/388775640.db2.gz UYMNPJZIUDGXMZ-BZPMIXESSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000252715220 388775642 /nfs/dbraw/zinc/77/56/42/388775642.db2.gz UYMNPJZIUDGXMZ-BZPMIXESSA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000230986814 388834018 /nfs/dbraw/zinc/83/40/18/388834018.db2.gz UHMOFIHKDHPPSA-GJZGRUSLSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000230986812 388834067 /nfs/dbraw/zinc/83/40/67/388834067.db2.gz UHMOFIHKDHPPSA-CABCVRRESA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000400420261 533445330 /nfs/dbraw/zinc/44/53/30/533445330.db2.gz WQFAORHIBXZJMT-SCZZXKLOSA-N 2 2 244.791 2.632 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+]CC[NH+]1CCCC1 ZINC000255687885 533411420 /nfs/dbraw/zinc/41/14/20/533411420.db2.gz GRRRMLJJJQUGFI-FYWRMAATSA-N 2 2 244.382 2.775 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494413884 533600666 /nfs/dbraw/zinc/60/06/66/533600666.db2.gz UWGVPMGOKNPFRP-HZSPNIEDSA-N 2 2 247.386 2.614 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCCCNc2cccc[nH+]2)[C@H]1C ZINC000495048473 533644556 /nfs/dbraw/zinc/64/45/56/533644556.db2.gz QQWGWYSMFGOMPR-HZSPNIEDSA-N 2 2 247.386 2.908 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)oc1C ZINC000335496292 133866894 /nfs/dbraw/zinc/86/68/94/133866894.db2.gz PBSBKMYYBZYPCU-WCQYABFASA-N 2 2 236.359 2.689 20 0 BFADLP C[C@@H]1C[C@H](C)[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000336071135 134071759 /nfs/dbraw/zinc/07/17/59/134071759.db2.gz BBHZBFYMTYFCFZ-PHIMTYICSA-N 2 2 247.367 2.917 20 0 BFADLP C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000336071134 134072062 /nfs/dbraw/zinc/07/20/62/134072062.db2.gz BBHZBFYMTYFCFZ-GHMZBOCLSA-N 2 2 247.367 2.917 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000336171074 134115403 /nfs/dbraw/zinc/11/54/03/134115403.db2.gz BXNJOCKMGSRPJU-MFKMUULPSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000336171074 134115404 /nfs/dbraw/zinc/11/54/04/134115404.db2.gz BXNJOCKMGSRPJU-MFKMUULPSA-N 2 2 238.762 2.824 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC000168557359 134226575 /nfs/dbraw/zinc/22/65/75/134226575.db2.gz SRQVDSLBJIDXJV-HIFRSBDPSA-N 2 2 234.387 2.547 20 0 BFADLP C(C1CCCC1)[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000171745201 134260342 /nfs/dbraw/zinc/26/03/42/134260342.db2.gz NENHAUWLGQOGQY-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCC1)[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000171745201 134260343 /nfs/dbraw/zinc/26/03/43/134260343.db2.gz NENHAUWLGQOGQY-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000219160469 134274494 /nfs/dbraw/zinc/27/44/94/134274494.db2.gz GCHSDNYESONTLY-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000221761899 134326483 /nfs/dbraw/zinc/32/64/83/134326483.db2.gz ISXNPZUEJVQWLL-RDBSUJKOSA-N 2 2 235.375 2.688 20 0 BFADLP CC[N@H+](C)CC[NH2+]CCC1CCCCCC1 ZINC000222346065 134328983 /nfs/dbraw/zinc/32/89/83/134328983.db2.gz PVJRZZWSPGVVCN-UHFFFAOYSA-N 2 2 226.408 2.888 20 0 BFADLP CC[N@@H+](C)CC[NH2+]CCC1CCCCCC1 ZINC000222346065 134328984 /nfs/dbraw/zinc/32/89/84/134328984.db2.gz PVJRZZWSPGVVCN-UHFFFAOYSA-N 2 2 226.408 2.888 20 0 BFADLP CC[C@H](C)C[N@H+](CC)C[C@@H]([NH3+])CC(C)C ZINC000223400742 134339751 /nfs/dbraw/zinc/33/97/51/134339751.db2.gz LASYQKRXKRDKLV-STQMWFEESA-N 2 2 214.397 2.728 20 0 BFADLP CC[C@H](C)C[N@@H+](CC)C[C@@H]([NH3+])CC(C)C ZINC000223400742 134339752 /nfs/dbraw/zinc/33/97/52/134339752.db2.gz LASYQKRXKRDKLV-STQMWFEESA-N 2 2 214.397 2.728 20 0 BFADLP CC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182174613 134342528 /nfs/dbraw/zinc/34/25/28/134342528.db2.gz NCYKLLZGOKFSSJ-KBPBESRZSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182174613 134342529 /nfs/dbraw/zinc/34/25/29/134342529.db2.gz NCYKLLZGOKFSSJ-KBPBESRZSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000070762172 135012838 /nfs/dbraw/zinc/01/28/38/135012838.db2.gz LUQOGRZGTRRCRA-ZIAGYGMSSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000249756803 135044503 /nfs/dbraw/zinc/04/45/03/135044503.db2.gz UXIDDBYSYIZRQQ-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000249756803 135044506 /nfs/dbraw/zinc/04/45/06/135044506.db2.gz UXIDDBYSYIZRQQ-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000249756809 135044521 /nfs/dbraw/zinc/04/45/21/135044521.db2.gz UXIDDBYSYIZRQQ-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C1CCCC1 ZINC000249756809 135044523 /nfs/dbraw/zinc/04/45/23/135044523.db2.gz UXIDDBYSYIZRQQ-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C1CC1[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000250630814 135057453 /nfs/dbraw/zinc/05/74/53/135057453.db2.gz CUAQLCBVDSFTND-KKUMJFAQSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000250630814 135057455 /nfs/dbraw/zinc/05/74/55/135057455.db2.gz CUAQLCBVDSFTND-KKUMJFAQSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000251622707 135072552 /nfs/dbraw/zinc/07/25/52/135072552.db2.gz DLSXHOSYJUHNSC-REWJHTLYSA-N 2 2 235.375 2.686 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000251622831 135072816 /nfs/dbraw/zinc/07/28/16/135072816.db2.gz FBPABDWWFFPWSI-MGPQQGTHSA-N 2 2 235.375 2.830 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000251686665 135074909 /nfs/dbraw/zinc/07/49/09/135074909.db2.gz HAWJIKLPSLVCBJ-REWJHTLYSA-N 2 2 235.375 2.686 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H](C)C[NH+](C)C ZINC000251839634 135079388 /nfs/dbraw/zinc/07/93/88/135079388.db2.gz LGKKCBYKHBUZFA-YNEHKIRRSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1C ZINC000252093315 135083253 /nfs/dbraw/zinc/08/32/53/135083253.db2.gz FAJAIYBFXFUFGT-RDBSUJKOSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000252121267 135083959 /nfs/dbraw/zinc/08/39/59/135083959.db2.gz KVWMESQCSZPNGK-RQJABVFESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000252121267 135083960 /nfs/dbraw/zinc/08/39/60/135083960.db2.gz KVWMESQCSZPNGK-RQJABVFESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000252195614 135086453 /nfs/dbraw/zinc/08/64/53/135086453.db2.gz SIILGQGCEYLFNR-ITGUQSILSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000252739178 135105938 /nfs/dbraw/zinc/10/59/38/135105938.db2.gz HGASGHOPPCJTLW-AAVRWANBSA-N 2 2 226.408 2.741 20 0 BFADLP CC[NH+]1CCC([NH2+]Cc2cscc2C)CC1 ZINC000087309178 135121744 /nfs/dbraw/zinc/12/17/44/135121744.db2.gz MSEWMKMYWNSYFG-UHFFFAOYSA-N 2 2 238.400 2.630 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)Cc1csc2ccccc12 ZINC000258805173 135134809 /nfs/dbraw/zinc/13/48/09/135134809.db2.gz RUSBMZVEEAXKHN-SNVBAGLBSA-N 2 2 234.368 2.680 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1csc2ccccc12 ZINC000258805173 135134810 /nfs/dbraw/zinc/13/48/10/135134810.db2.gz RUSBMZVEEAXKHN-SNVBAGLBSA-N 2 2 234.368 2.680 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2sccc2Cl)C1 ZINC000261531428 135159780 /nfs/dbraw/zinc/15/97/80/135159780.db2.gz GMAWECJFGFEQAV-VIFPVBQESA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2sccc2Cl)C1 ZINC000261531428 135159782 /nfs/dbraw/zinc/15/97/82/135159782.db2.gz GMAWECJFGFEQAV-VIFPVBQESA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2sccc2Cl)C1 ZINC000261536689 135172063 /nfs/dbraw/zinc/17/20/63/135172063.db2.gz SMHGRQHECJOYOY-NSHDSACASA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2sccc2Cl)C1 ZINC000261536689 135172065 /nfs/dbraw/zinc/17/20/65/135172065.db2.gz SMHGRQHECJOYOY-NSHDSACASA-N 2 2 244.791 2.572 20 0 BFADLP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000261548669 135187786 /nfs/dbraw/zinc/18/77/86/135187786.db2.gz NVAXZAIIBYTCCS-IUCAKERBSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261548669 135187787 /nfs/dbraw/zinc/18/77/87/135187787.db2.gz NVAXZAIIBYTCCS-IUCAKERBSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccsc2Cl)CC[C@H]1[NH3+] ZINC000261554468 135194232 /nfs/dbraw/zinc/19/42/32/135194232.db2.gz UFNFQVPQUGYYIK-WCBMZHEXSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccsc2Cl)CC[C@H]1[NH3+] ZINC000261554468 135194233 /nfs/dbraw/zinc/19/42/33/135194233.db2.gz UFNFQVPQUGYYIK-WCBMZHEXSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000261564703 135207230 /nfs/dbraw/zinc/20/72/30/135207230.db2.gz HJZIJWFXMLROAS-WFASDCNBSA-N 2 2 246.398 2.906 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000261564703 135207232 /nfs/dbraw/zinc/20/72/32/135207232.db2.gz HJZIJWFXMLROAS-WFASDCNBSA-N 2 2 246.398 2.906 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000261569666 135211535 /nfs/dbraw/zinc/21/15/35/135211535.db2.gz GJLQROKQKUTJJS-OCCSQVGLSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000261569666 135211537 /nfs/dbraw/zinc/21/15/37/135211537.db2.gz GJLQROKQKUTJJS-OCCSQVGLSA-N 2 2 224.392 2.768 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000261581872 135222127 /nfs/dbraw/zinc/22/21/27/135222127.db2.gz QVPPVVXXINDDAQ-GJZGRUSLSA-N 2 2 244.382 2.652 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000261581871 135222535 /nfs/dbraw/zinc/22/25/35/135222535.db2.gz QVPPVVXXINDDAQ-CABCVRRESA-N 2 2 244.382 2.652 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000342582677 135292472 /nfs/dbraw/zinc/29/24/72/135292472.db2.gz PVQDEAKCGCVPSD-ZIAGYGMSSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000342582677 135292475 /nfs/dbraw/zinc/29/24/75/135292475.db2.gz PVQDEAKCGCVPSD-ZIAGYGMSSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1[nH]c2ccc(CSCC[NH+](C)C)cc2[nH+]1 ZINC000342680762 135304920 /nfs/dbraw/zinc/30/49/20/135304920.db2.gz VHYYLBJIYLDRRT-UHFFFAOYSA-N 2 2 249.383 2.666 20 0 BFADLP Cc1[nH]c2cc(CSCC[NH+](C)C)ccc2[nH+]1 ZINC000342680762 135304921 /nfs/dbraw/zinc/30/49/21/135304921.db2.gz VHYYLBJIYLDRRT-UHFFFAOYSA-N 2 2 249.383 2.666 20 0 BFADLP CCC1CC([NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)C1 ZINC000342689116 135305296 /nfs/dbraw/zinc/30/52/96/135305296.db2.gz VTNTVZUDAGHINN-MOKVOYLWSA-N 2 2 247.386 2.847 20 0 BFADLP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CC[NH3+] ZINC000262986144 135325817 /nfs/dbraw/zinc/32/58/17/135325817.db2.gz NFBDSLCQXGQYPH-ZDUSSCGKSA-N 2 2 240.778 2.928 20 0 BFADLP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CC[NH3+] ZINC000262986144 135325819 /nfs/dbraw/zinc/32/58/19/135325819.db2.gz NFBDSLCQXGQYPH-ZDUSSCGKSA-N 2 2 240.778 2.928 20 0 BFADLP C[C@H](C[NH2+]C1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000164515788 135387450 /nfs/dbraw/zinc/38/74/50/135387450.db2.gz PHFAJPBVHSKMEU-OTTFEQOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+]C1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000164515788 135387451 /nfs/dbraw/zinc/38/74/51/135387451.db2.gz PHFAJPBVHSKMEU-OTTFEQOBSA-N 2 2 224.392 2.637 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081625190 135388693 /nfs/dbraw/zinc/38/86/93/135388693.db2.gz RSVXDJMNXPLOKZ-HUUCEWRRSA-N 2 2 236.403 2.641 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334415217 135396908 /nfs/dbraw/zinc/39/69/08/135396908.db2.gz NOCPITQUJKINAX-RISCZKNCSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334415217 135396909 /nfs/dbraw/zinc/39/69/09/135396909.db2.gz NOCPITQUJKINAX-RISCZKNCSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000348075009 136034143 /nfs/dbraw/zinc/03/41/43/136034143.db2.gz FFADWYVQEDLPAK-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000348097209 136035674 /nfs/dbraw/zinc/03/56/74/136035674.db2.gz UENWSGZXDDQXGQ-GZBFAFLISA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000348097209 136035675 /nfs/dbraw/zinc/03/56/75/136035675.db2.gz UENWSGZXDDQXGQ-GZBFAFLISA-N 2 2 238.419 2.741 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000348101944 136036360 /nfs/dbraw/zinc/03/63/60/136036360.db2.gz JSWLZPUWSARXDO-XQLPTFJDSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000348101944 136036361 /nfs/dbraw/zinc/03/63/61/136036361.db2.gz JSWLZPUWSARXDO-XQLPTFJDSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000348104215 136036753 /nfs/dbraw/zinc/03/67/53/136036753.db2.gz DHTQAKWMFXSVRT-YUTCNCBUSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000348104215 136036754 /nfs/dbraw/zinc/03/67/54/136036754.db2.gz DHTQAKWMFXSVRT-YUTCNCBUSA-N 2 2 236.403 2.637 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C)C1CC1 ZINC000348115736 136037932 /nfs/dbraw/zinc/03/79/32/136037932.db2.gz IDTCCYPLHSKUBN-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C)C1CC1 ZINC000348115736 136037933 /nfs/dbraw/zinc/03/79/33/136037933.db2.gz IDTCCYPLHSKUBN-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C)C1CC1 ZINC000348115733 136038014 /nfs/dbraw/zinc/03/80/14/136038014.db2.gz IDTCCYPLHSKUBN-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C)C1CC1 ZINC000348115733 136038015 /nfs/dbraw/zinc/03/80/15/136038015.db2.gz IDTCCYPLHSKUBN-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000348223542 136047910 /nfs/dbraw/zinc/04/79/10/136047910.db2.gz TYVJXLAGDPWPIY-HNNXBMFYSA-N 2 2 238.419 2.910 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000348223542 136047911 /nfs/dbraw/zinc/04/79/11/136047911.db2.gz TYVJXLAGDPWPIY-HNNXBMFYSA-N 2 2 238.419 2.910 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348251109 136057233 /nfs/dbraw/zinc/05/72/33/136057233.db2.gz YDRKCATVFPYBAT-HZPDHXFCSA-N 2 2 246.398 2.720 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348251109 136057234 /nfs/dbraw/zinc/05/72/34/136057234.db2.gz YDRKCATVFPYBAT-HZPDHXFCSA-N 2 2 246.398 2.720 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CCC1 ZINC000348309513 136066816 /nfs/dbraw/zinc/06/68/16/136066816.db2.gz PPMNRKCGPVCAQL-QWHCGFSZSA-N 2 2 238.419 2.885 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000348326224 136070478 /nfs/dbraw/zinc/07/04/78/136070478.db2.gz MCPCXCIGRAJPCH-LSDHHAIUSA-N 2 2 246.398 2.720 20 0 BFADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]CC[NH+](C)C ZINC000348385494 136078535 /nfs/dbraw/zinc/07/85/35/136078535.db2.gz FGGBITZJIUBOIP-OAHLLOKOSA-N 2 2 246.398 2.832 20 0 BFADLP [NH3+]CC[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000335567441 136108347 /nfs/dbraw/zinc/10/83/47/136108347.db2.gz XDUSOJGBHXDVHP-JTQLQIEISA-N 2 2 245.153 2.529 20 0 BFADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449555572 397955712 /nfs/dbraw/zinc/95/57/12/397955712.db2.gz IEBSADZVARNSLO-HOCLYGCPSA-N 2 2 248.414 2.856 20 0 BFADLP Cc1ccc(CC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000449556748 397956702 /nfs/dbraw/zinc/95/67/02/397956702.db2.gz OBPIXOIUVMWGGK-GJZGRUSLSA-N 2 2 248.414 2.856 20 0 BFADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cc(F)ccc1F ZINC000019959045 397962753 /nfs/dbraw/zinc/96/27/53/397962753.db2.gz IILRNVPKUGPVFH-SNVBAGLBSA-N 2 2 242.313 2.567 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCC1 ZINC000643538453 397920385 /nfs/dbraw/zinc/92/03/85/397920385.db2.gz KPKQSIWNDQLDKC-IHRRRGAJSA-N 2 2 242.382 2.635 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000373099031 398012436 /nfs/dbraw/zinc/01/24/36/398012436.db2.gz MAFRUTPTQAIUCD-GFCCVEGCSA-N 2 2 233.359 2.542 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000373099031 398012438 /nfs/dbraw/zinc/01/24/38/398012438.db2.gz MAFRUTPTQAIUCD-GFCCVEGCSA-N 2 2 233.359 2.542 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000648450071 398052076 /nfs/dbraw/zinc/05/20/76/398052076.db2.gz QGVNQVAHFSLMEP-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000648450071 398052080 /nfs/dbraw/zinc/05/20/80/398052080.db2.gz QGVNQVAHFSLMEP-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP CCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000051724037 398058662 /nfs/dbraw/zinc/05/86/62/398058662.db2.gz OPSJZTOCEXJJSG-UHFFFAOYSA-N 2 2 248.370 2.558 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C/C=C\c2ccccc2)C1 ZINC000525800643 398122450 /nfs/dbraw/zinc/12/24/50/398122450.db2.gz WZGRWBCZAUOIRQ-KKTNHOPESA-N 2 2 244.382 2.631 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C/C=C\c2ccccc2)C1 ZINC000525800643 398122452 /nfs/dbraw/zinc/12/24/52/398122452.db2.gz WZGRWBCZAUOIRQ-KKTNHOPESA-N 2 2 244.382 2.631 20 0 BFADLP CC(C)C[NH2+][C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000185687435 167014068 /nfs/dbraw/zinc/01/40/68/167014068.db2.gz KVVKGXAJIBNFGR-HIFRSBDPSA-N 2 2 234.387 2.923 20 0 BFADLP C[NH2+]CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000258728842 322876663 /nfs/dbraw/zinc/87/66/63/322876663.db2.gz JUWRAWQZCKVXFJ-UHFFFAOYSA-N 2 2 240.350 2.663 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000086880749 487577950 /nfs/dbraw/zinc/57/79/50/487577950.db2.gz CKRSHTPEDQYLGH-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000383070856 487582431 /nfs/dbraw/zinc/58/24/31/487582431.db2.gz PWFBIFONHIMCNR-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000383070856 487582436 /nfs/dbraw/zinc/58/24/36/487582436.db2.gz PWFBIFONHIMCNR-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@@H]1CC1(C)C ZINC000668814803 487583832 /nfs/dbraw/zinc/58/38/32/487583832.db2.gz UWRGFOYLMWXCBJ-LBPRGKRZSA-N 2 2 243.354 2.812 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)C(C)(C)C ZINC000304332548 487594627 /nfs/dbraw/zinc/59/46/27/487594627.db2.gz UMYBEJYCZDDAFC-VXGBXAGGSA-N 2 2 223.364 2.543 20 0 BFADLP c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000232461234 487595909 /nfs/dbraw/zinc/59/59/09/487595909.db2.gz DVFZVWARIDOLND-ZBFHGGJFSA-N 2 2 244.382 2.796 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2CC(C)C)n1C ZINC000667502456 487600463 /nfs/dbraw/zinc/60/04/63/487600463.db2.gz FBCGZSWINKKPOA-ZDUSSCGKSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H]2CC(C)C)n1C ZINC000667502456 487600468 /nfs/dbraw/zinc/60/04/68/487600468.db2.gz FBCGZSWINKKPOA-ZDUSSCGKSA-N 2 2 235.375 2.739 20 0 BFADLP C1=CCC(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000662275293 409585384 /nfs/dbraw/zinc/58/53/84/409585384.db2.gz YZSOICRSGMLUBC-HUUCEWRRSA-N 2 2 234.387 2.559 20 0 BFADLP C1=CCC(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000662275293 409585394 /nfs/dbraw/zinc/58/53/94/409585394.db2.gz YZSOICRSGMLUBC-HUUCEWRRSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000308699490 409902191 /nfs/dbraw/zinc/90/21/91/409902191.db2.gz IJVXQQMKGGCFKJ-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000308699490 409902199 /nfs/dbraw/zinc/90/21/99/409902199.db2.gz IJVXQQMKGGCFKJ-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[NH+]1CCC(Nc2c[nH+]ccc2CC)CC1 ZINC000651979398 410113031 /nfs/dbraw/zinc/11/30/31/410113031.db2.gz OGVSUHCFCTUUGK-UHFFFAOYSA-N 2 2 247.386 2.930 20 0 BFADLP CC(C)c1cccc(C[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000663329682 410129725 /nfs/dbraw/zinc/12/97/25/410129725.db2.gz YTLIWGXPGJXARN-UHFFFAOYSA-N 2 2 246.398 2.994 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000328145628 487616465 /nfs/dbraw/zinc/61/64/65/487616465.db2.gz CEFSTOFEFHKCRB-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)CC2)C1 ZINC000328145628 487616468 /nfs/dbraw/zinc/61/64/68/487616468.db2.gz CEFSTOFEFHKCRB-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000665296236 410807424 /nfs/dbraw/zinc/80/74/24/410807424.db2.gz PDWYIDDIRFFLKH-BDAKNGLRSA-N 2 2 244.741 2.738 20 0 BFADLP CC(C)C[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000094172230 167004816 /nfs/dbraw/zinc/00/48/16/167004816.db2.gz DORLVFPLHXPEJP-UHFFFAOYSA-N 2 2 245.370 2.752 20 0 BFADLP CC(C)[NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000186876248 167112963 /nfs/dbraw/zinc/11/29/63/167112963.db2.gz QRBXGGIKBNTJFT-MRXNPFEDSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)[NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000186876248 167112966 /nfs/dbraw/zinc/11/29/66/167112966.db2.gz QRBXGGIKBNTJFT-MRXNPFEDSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000034653446 167119935 /nfs/dbraw/zinc/11/99/35/167119935.db2.gz YOHCMKYXQFMYDK-UHFFFAOYSA-N 2 2 233.290 2.509 20 0 BFADLP CC(C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287379915 167134755 /nfs/dbraw/zinc/13/47/55/167134755.db2.gz PJTNRZFPRSILHH-UKRRQHHQSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287379915 167134758 /nfs/dbraw/zinc/13/47/58/167134758.db2.gz PJTNRZFPRSILHH-UKRRQHHQSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000065395496 167140578 /nfs/dbraw/zinc/14/05/78/167140578.db2.gz PNNLWFIOAHUGBY-CQSZACIVSA-N 2 2 229.327 2.622 20 0 BFADLP CC(C)[C@@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271730209 167368003 /nfs/dbraw/zinc/36/80/03/167368003.db2.gz MYFIBDDEFPGONQ-GFCCVEGCSA-N 2 2 231.343 2.811 20 0 BFADLP CC(C)[C@@H](C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271730209 167368005 /nfs/dbraw/zinc/36/80/05/167368005.db2.gz MYFIBDDEFPGONQ-GFCCVEGCSA-N 2 2 231.343 2.811 20 0 BFADLP CC(C)[C@@H](C)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000128850467 167385567 /nfs/dbraw/zinc/38/55/67/167385567.db2.gz LYUPSSPBLFABKU-GDBMZVCRSA-N 2 2 248.414 2.793 20 0 BFADLP CC(C)=CCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000659999856 411163383 /nfs/dbraw/zinc/16/33/83/411163383.db2.gz XGMSPRQENDJEGI-UHFFFAOYSA-N 2 2 233.359 2.945 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000651828439 411146483 /nfs/dbraw/zinc/14/64/83/411146483.db2.gz KBQVZPVAJPOWJK-UONOGXRCSA-N 2 2 235.375 2.521 20 0 BFADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccccn1 ZINC000651866015 411148110 /nfs/dbraw/zinc/14/81/10/411148110.db2.gz QKNJIJCQKIGQJP-AWEZNQCLSA-N 2 2 249.402 2.710 20 0 BFADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccn1 ZINC000651866015 411148111 /nfs/dbraw/zinc/14/81/11/411148111.db2.gz QKNJIJCQKIGQJP-AWEZNQCLSA-N 2 2 249.402 2.710 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657899692 411160392 /nfs/dbraw/zinc/16/03/92/411160392.db2.gz KVSYYWDOLVCOGX-GHMZBOCLSA-N 2 2 248.361 2.598 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657899692 411160393 /nfs/dbraw/zinc/16/03/93/411160393.db2.gz KVSYYWDOLVCOGX-GHMZBOCLSA-N 2 2 248.361 2.598 20 0 BFADLP c1cn2c(cccc2C[NH2+]C2CC3(CCC3)C2)[nH+]1 ZINC000652042042 411092323 /nfs/dbraw/zinc/09/23/23/411092323.db2.gz AEHYSNFAMWQHBG-UHFFFAOYSA-N 2 2 241.338 2.757 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+]2CCCC2(C)C)C1 ZINC000659878015 411170214 /nfs/dbraw/zinc/17/02/14/411170214.db2.gz XARNPSHGDJPHDG-OKILXGFUSA-N 2 2 238.419 2.839 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+]2CCCC2(C)C)C1 ZINC000659878015 411170217 /nfs/dbraw/zinc/17/02/17/411170217.db2.gz XARNPSHGDJPHDG-OKILXGFUSA-N 2 2 238.419 2.839 20 0 BFADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+]2CCCC2(C)C)C1 ZINC000659878015 411170219 /nfs/dbraw/zinc/17/02/19/411170219.db2.gz XARNPSHGDJPHDG-OKILXGFUSA-N 2 2 238.419 2.839 20 0 BFADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+]2CCCC2(C)C)C1 ZINC000659878015 411170221 /nfs/dbraw/zinc/17/02/21/411170221.db2.gz XARNPSHGDJPHDG-OKILXGFUSA-N 2 2 238.419 2.839 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC000658092374 411242573 /nfs/dbraw/zinc/24/25/73/411242573.db2.gz QCQMFAGBXYTNIM-NWDGAFQWSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000658092374 411242574 /nfs/dbraw/zinc/24/25/74/411242574.db2.gz QCQMFAGBXYTNIM-NWDGAFQWSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092924 411242577 /nfs/dbraw/zinc/24/25/77/411242577.db2.gz SIFQNPKUGDHERT-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092924 411242578 /nfs/dbraw/zinc/24/25/78/411242578.db2.gz SIFQNPKUGDHERT-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)C[N@@H+]1C1CC1 ZINC000652272298 411184241 /nfs/dbraw/zinc/18/42/41/411184241.db2.gz HENVILICGHSSHN-DGCLKSJQSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)C[N@H+]1C1CC1 ZINC000652272298 411184245 /nfs/dbraw/zinc/18/42/45/411184245.db2.gz HENVILICGHSSHN-DGCLKSJQSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]([NH2+]CC1([NH+](C)C)CCC1)C(C)(C)C(F)F ZINC000657984335 411188571 /nfs/dbraw/zinc/18/85/71/411188571.db2.gz GTPJRDWEDVJWNS-JTQLQIEISA-N 2 2 248.361 2.740 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@@H]1C[C@H]1C ZINC000658097764 411244130 /nfs/dbraw/zinc/24/41/30/411244130.db2.gz ZRDKCKCLKQVQMH-SYQHCUMBSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]1C[C@H]1C ZINC000658097764 411244132 /nfs/dbraw/zinc/24/41/32/411244132.db2.gz ZRDKCKCLKQVQMH-SYQHCUMBSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000658097154 411244756 /nfs/dbraw/zinc/24/47/56/411244756.db2.gz VGBKIVVOIHQDBA-NSHDSACASA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)C2)C1 ZINC000658097154 411244758 /nfs/dbraw/zinc/24/47/58/411244758.db2.gz VGBKIVVOIHQDBA-NSHDSACASA-N 2 2 224.392 2.637 20 0 BFADLP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000652358583 411216684 /nfs/dbraw/zinc/21/66/84/411216684.db2.gz UOOSBXPDZJUVQB-NSHDSACASA-N 2 2 246.354 2.829 20 0 BFADLP Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@H](C)[NH3+] ZINC000652358583 411216686 /nfs/dbraw/zinc/21/66/86/411216686.db2.gz UOOSBXPDZJUVQB-NSHDSACASA-N 2 2 246.354 2.829 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CCC3CCC3)C2)[nH]1 ZINC000660077911 411221071 /nfs/dbraw/zinc/22/10/71/411221071.db2.gz RIVKAQWEOPVHEG-CYBMUJFWSA-N 2 2 233.359 2.779 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+](CCC3CCC3)C2)[nH]1 ZINC000660077911 411221072 /nfs/dbraw/zinc/22/10/72/411221072.db2.gz RIVKAQWEOPVHEG-CYBMUJFWSA-N 2 2 233.359 2.779 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C1CCC1 ZINC000658057295 411223540 /nfs/dbraw/zinc/22/35/40/411223540.db2.gz OKXFQYLUWNABAI-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C1CCC1 ZINC000658057295 411223543 /nfs/dbraw/zinc/22/35/43/411223543.db2.gz OKXFQYLUWNABAI-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C1CCC1 ZINC000658057298 411223712 /nfs/dbraw/zinc/22/37/12/411223712.db2.gz OKXFQYLUWNABAI-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C1CCC1 ZINC000658057298 411223716 /nfs/dbraw/zinc/22/37/16/411223716.db2.gz OKXFQYLUWNABAI-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658057266 411223795 /nfs/dbraw/zinc/22/37/95/411223795.db2.gz OGKSXIUOZJZXDI-KGLIPLIRSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658057266 411223800 /nfs/dbraw/zinc/22/38/00/411223800.db2.gz OGKSXIUOZJZXDI-KGLIPLIRSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057711 411224086 /nfs/dbraw/zinc/22/40/86/411224086.db2.gz AVKPUZLAIKYKRH-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057711 411224088 /nfs/dbraw/zinc/22/40/88/411224088.db2.gz AVKPUZLAIKYKRH-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000658053973 411224143 /nfs/dbraw/zinc/22/41/43/411224143.db2.gz CHNRWJDUTCUERG-CYBMUJFWSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000658053973 411224146 /nfs/dbraw/zinc/22/41/46/411224146.db2.gz CHNRWJDUTCUERG-CYBMUJFWSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059250 411225364 /nfs/dbraw/zinc/22/53/64/411225364.db2.gz WNMLPFCIQHAXHI-AVGNSLFASA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059250 411225368 /nfs/dbraw/zinc/22/53/68/411225368.db2.gz WNMLPFCIQHAXHI-AVGNSLFASA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000658064342 411228985 /nfs/dbraw/zinc/22/89/85/411228985.db2.gz ZMUSMUMTMLXYPE-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000658064342 411228989 /nfs/dbraw/zinc/22/89/89/411228989.db2.gz ZMUSMUMTMLXYPE-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCC1(C)C ZINC000658064340 411229680 /nfs/dbraw/zinc/22/96/80/411229680.db2.gz ZMUSMUMTMLXYPE-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCC1(C)C ZINC000658064340 411229681 /nfs/dbraw/zinc/22/96/81/411229681.db2.gz ZMUSMUMTMLXYPE-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092320 411242118 /nfs/dbraw/zinc/24/21/18/411242118.db2.gz PPGSISWUKJUJCV-AVGNSLFASA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092320 411242121 /nfs/dbraw/zinc/24/21/21/411242121.db2.gz PPGSISWUKJUJCV-AVGNSLFASA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C ZINC000658092377 411242179 /nfs/dbraw/zinc/24/21/79/411242179.db2.gz QCQMFAGBXYTNIM-VXGBXAGGSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)(C)C ZINC000658092377 411242180 /nfs/dbraw/zinc/24/21/80/411242180.db2.gz QCQMFAGBXYTNIM-VXGBXAGGSA-N 2 2 226.408 2.883 20 0 BFADLP CCCC[NH+](C)CC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655710650 411262789 /nfs/dbraw/zinc/26/27/89/411262789.db2.gz BGKQTCHAXPWJFB-QWHCGFSZSA-N 2 2 244.448 2.592 20 0 BFADLP CC/C=C/CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000375113286 167841412 /nfs/dbraw/zinc/84/14/12/167841412.db2.gz HXAKXNZNRBFNTJ-ONEGZZNKSA-N 2 2 233.359 2.945 20 0 BFADLP CC(C)CC1([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000658321798 411333270 /nfs/dbraw/zinc/33/32/70/411333270.db2.gz WTVGANAQBYAURY-TZMCWYRMSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)CC1([NH2+][C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000658321798 411333274 /nfs/dbraw/zinc/33/32/74/411333274.db2.gz WTVGANAQBYAURY-TZMCWYRMSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])c(C)s1 ZINC000656782992 411360267 /nfs/dbraw/zinc/36/02/67/411360267.db2.gz KWVJDUPTTVZJRZ-UHFFFAOYSA-N 2 2 226.389 2.534 20 0 BFADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])c(C)s1 ZINC000656782992 411360270 /nfs/dbraw/zinc/36/02/70/411360270.db2.gz KWVJDUPTTVZJRZ-UHFFFAOYSA-N 2 2 226.389 2.534 20 0 BFADLP CCC1(CC)CCC[N@H+](CC(C)(C)[NH3+])C1 ZINC000656791478 411370313 /nfs/dbraw/zinc/37/03/13/411370313.db2.gz HMBRKDOCXPLZGJ-UHFFFAOYSA-N 2 2 212.381 2.626 20 0 BFADLP CCC1(CC)CCC[N@@H+](CC(C)(C)[NH3+])C1 ZINC000656791478 411370317 /nfs/dbraw/zinc/37/03/17/411370317.db2.gz HMBRKDOCXPLZGJ-UHFFFAOYSA-N 2 2 212.381 2.626 20 0 BFADLP CC1(CC[NH2+]Cc2cccc3[nH+]ccn32)CC1 ZINC000280604815 168020339 /nfs/dbraw/zinc/02/03/39/168020339.db2.gz OILKGFGYECPHCL-UHFFFAOYSA-N 2 2 229.327 2.614 20 0 BFADLP CC1(C[NH+]2CCC(n3cc[nH+]c3)CC2)CCC1 ZINC000336575746 168024357 /nfs/dbraw/zinc/02/43/57/168024357.db2.gz MTKBZHKFMIEBHE-UHFFFAOYSA-N 2 2 233.359 2.710 20 0 BFADLP CC1(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000336542093 168024409 /nfs/dbraw/zinc/02/44/09/168024409.db2.gz QBSSHNJQKHYUMK-GFCCVEGCSA-N 2 2 233.359 2.779 20 0 BFADLP CC1(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000336542093 168024410 /nfs/dbraw/zinc/02/44/10/168024410.db2.gz QBSSHNJQKHYUMK-GFCCVEGCSA-N 2 2 233.359 2.779 20 0 BFADLP CC(C)CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188437 411347628 /nfs/dbraw/zinc/34/76/28/411347628.db2.gz DUOFJIJOMSGLSA-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188437 411347633 /nfs/dbraw/zinc/34/76/33/411347633.db2.gz DUOFJIJOMSGLSA-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc[nH+]c1NCc1[nH+]ccn1C(C)C ZINC000656766596 411347953 /nfs/dbraw/zinc/34/79/53/411347953.db2.gz ASUSBSHTORAVTR-UHFFFAOYSA-N 2 2 230.315 2.780 20 0 BFADLP Cc1ccccc1C[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000358127713 168111439 /nfs/dbraw/zinc/11/14/39/168111439.db2.gz BYFVALCIYIJOST-UHFFFAOYSA-N 2 2 244.382 2.737 20 0 BFADLP Cc1ccccc1C[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000358127713 168111441 /nfs/dbraw/zinc/11/14/41/168111441.db2.gz BYFVALCIYIJOST-UHFFFAOYSA-N 2 2 244.382 2.737 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]CCCC(C)C)CC1 ZINC000336681769 168112692 /nfs/dbraw/zinc/11/26/92/168112692.db2.gz RQTIHLMQJSSAAK-UHFFFAOYSA-N 2 2 224.392 2.664 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]CCCC(C)C)CC1 ZINC000336681769 168112695 /nfs/dbraw/zinc/11/26/95/168112695.db2.gz RQTIHLMQJSSAAK-UHFFFAOYSA-N 2 2 224.392 2.664 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC000358129662 168112905 /nfs/dbraw/zinc/11/29/05/168112905.db2.gz DPAWJRYYXQZEST-UHFFFAOYSA-N 2 2 248.345 2.567 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]Cc2ccc(F)cc2)CC1 ZINC000358129662 168112906 /nfs/dbraw/zinc/11/29/06/168112906.db2.gz DPAWJRYYXQZEST-UHFFFAOYSA-N 2 2 248.345 2.567 20 0 BFADLP CC1CCC([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000376714049 168164932 /nfs/dbraw/zinc/16/49/32/168164932.db2.gz BPLRSOKTAJWFHS-UHFFFAOYSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1(C)CC1)[NH+]1CCC(C)CC1 ZINC000119051315 168185434 /nfs/dbraw/zinc/18/54/34/168185434.db2.gz NFUFWLCVXKXRGS-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1(C)CC1 ZINC000119051462 168187182 /nfs/dbraw/zinc/18/71/82/168187182.db2.gz NFUFWLCVXKXRGS-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000662233838 411383095 /nfs/dbraw/zinc/38/30/95/411383095.db2.gz AIZLBVSYBNSMQT-UHFFFAOYSA-N 2 2 232.371 2.605 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000662233838 411383099 /nfs/dbraw/zinc/38/30/99/411383099.db2.gz AIZLBVSYBNSMQT-UHFFFAOYSA-N 2 2 232.371 2.605 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]C1CCCCCC1)CCC2 ZINC000657285839 411444597 /nfs/dbraw/zinc/44/45/97/411444597.db2.gz DYSHTTHZVKBUDL-UHFFFAOYSA-N 2 2 233.359 2.642 20 0 BFADLP CC1CCC([NH2+]C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000414824152 411446644 /nfs/dbraw/zinc/44/66/44/411446644.db2.gz AIGDPKFWMDZAID-PESDSKBTSA-N 2 2 232.371 2.855 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2cccs2)n1C ZINC000657290728 411451287 /nfs/dbraw/zinc/45/12/87/411451287.db2.gz MOFSGBHEEWVAMD-VIFPVBQESA-N 2 2 235.356 2.641 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]C1(C3CCC3)CCC1)CCC2 ZINC000657492079 411532708 /nfs/dbraw/zinc/53/27/08/411532708.db2.gz QSSNIGKPXOPOBZ-UHFFFAOYSA-N 2 2 245.370 2.642 20 0 BFADLP CC[C@@H](C)C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657376767 411485543 /nfs/dbraw/zinc/48/55/43/411485543.db2.gz JMGBXTBGCNDFJX-VXGBXAGGSA-N 2 2 235.375 2.744 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CC1(C)C ZINC000657494442 411533464 /nfs/dbraw/zinc/53/34/64/411533464.db2.gz OGRLOYPBCDPIGI-CHWSQXEVSA-N 2 2 247.386 2.744 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000660078255 411534471 /nfs/dbraw/zinc/53/44/71/411534471.db2.gz STHQIAQOAANRGL-CYBMUJFWSA-N 2 2 233.359 2.945 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000660078255 411534473 /nfs/dbraw/zinc/53/44/73/411534473.db2.gz STHQIAQOAANRGL-CYBMUJFWSA-N 2 2 233.359 2.945 20 0 BFADLP CC1(C)C(C[NH2+]Cc2c[nH+]c3n2CCC3)C1(C)C ZINC000657456946 411521004 /nfs/dbraw/zinc/52/10/04/411521004.db2.gz CINVDJXLBIQWPF-UHFFFAOYSA-N 2 2 247.386 2.601 20 0 BFADLP CC(C)(C[NH2+]Cc1c[nH+]c2n1CCC2)C1CCC1 ZINC000657481575 411526990 /nfs/dbraw/zinc/52/69/90/411526990.db2.gz SHUFOMUZYHSOBJ-UHFFFAOYSA-N 2 2 247.386 2.745 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC(C)C)C1 ZINC000328441166 170011083 /nfs/dbraw/zinc/01/10/83/170011083.db2.gz ASGLXSJOQQMXAG-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCCC(C)C)C1 ZINC000328441166 170011085 /nfs/dbraw/zinc/01/10/85/170011085.db2.gz ASGLXSJOQQMXAG-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655855808 411538713 /nfs/dbraw/zinc/53/87/13/411538713.db2.gz ISQOEWUPNYSIPT-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655855808 411538715 /nfs/dbraw/zinc/53/87/15/411538715.db2.gz ISQOEWUPNYSIPT-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525663 411543290 /nfs/dbraw/zinc/54/32/90/411543290.db2.gz UYICNNTXFQCYHJ-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525663 411543291 /nfs/dbraw/zinc/54/32/91/411543291.db2.gz UYICNNTXFQCYHJ-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP C1CC2(C1)CC[C@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848435 411535737 /nfs/dbraw/zinc/53/57/37/411535737.db2.gz FDJQXOLYWJONIS-SOUVJXGZSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC[C@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848435 411535738 /nfs/dbraw/zinc/53/57/38/411535738.db2.gz FDJQXOLYWJONIS-SOUVJXGZSA-N 2 2 248.414 2.926 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849309 411536104 /nfs/dbraw/zinc/53/61/04/411536104.db2.gz TWBGRVBVOGKUQB-QRJUGERDSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849309 411536106 /nfs/dbraw/zinc/53/61/06/411536106.db2.gz TWBGRVBVOGKUQB-QRJUGERDSA-N 2 2 248.414 2.782 20 0 BFADLP C1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849953 411536734 /nfs/dbraw/zinc/53/67/34/411536734.db2.gz RPEXAHUTVKBBBF-UONOGXRCSA-N 2 2 222.376 2.536 20 0 BFADLP C1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849953 411536735 /nfs/dbraw/zinc/53/67/35/411536735.db2.gz RPEXAHUTVKBBBF-UONOGXRCSA-N 2 2 222.376 2.536 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850339 411537027 /nfs/dbraw/zinc/53/70/27/411537027.db2.gz VCQYTBSYCKTCKO-BARDWOONSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850339 411537030 /nfs/dbraw/zinc/53/70/30/411537030.db2.gz VCQYTBSYCKTCKO-BARDWOONSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849713 411537720 /nfs/dbraw/zinc/53/77/20/411537720.db2.gz PMVUSSWSFZBBNR-CBBWQLFWSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849713 411537721 /nfs/dbraw/zinc/53/77/21/411537721.db2.gz PMVUSSWSFZBBNR-CBBWQLFWSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@H]1C ZINC000655851394 411537980 /nfs/dbraw/zinc/53/79/80/411537980.db2.gz UOSLSODXMPFGNN-QTVXIADOSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1C[C@H]1C ZINC000655851394 411537982 /nfs/dbraw/zinc/53/79/82/411537982.db2.gz UOSLSODXMPFGNN-QTVXIADOSA-N 2 2 236.403 2.637 20 0 BFADLP CC[NH2+]C(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000061299605 170107726 /nfs/dbraw/zinc/10/77/26/170107726.db2.gz OOMRXDRRQJEQFS-UHFFFAOYSA-N 2 2 220.360 2.507 20 0 BFADLP CC[NH2+]C(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000061299605 170107729 /nfs/dbraw/zinc/10/77/29/170107729.db2.gz OOMRXDRRQJEQFS-UHFFFAOYSA-N 2 2 220.360 2.507 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C[N@@H+]1C1CC1 ZINC000657665081 411577077 /nfs/dbraw/zinc/57/70/77/411577077.db2.gz DDIZERLBMXTINS-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCCC2CCC2)C[N@H+]1C1CC1 ZINC000657665081 411577078 /nfs/dbraw/zinc/57/70/78/411577078.db2.gz DDIZERLBMXTINS-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c2c(C)cccn12)C1CC1 ZINC000657681809 411580548 /nfs/dbraw/zinc/58/05/48/411580548.db2.gz SDSAVELBHCLATH-CQSZACIVSA-N 2 2 243.354 2.921 20 0 BFADLP Cc1cccn2c(C[NH2+]CC3=CCCC3)c[nH+]c12 ZINC000657749589 411592385 /nfs/dbraw/zinc/59/23/85/411592385.db2.gz GYARQMTXHJQZRY-UHFFFAOYSA-N 2 2 241.338 2.843 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657815989 411604841 /nfs/dbraw/zinc/60/48/41/411604841.db2.gz GWQMRXQQJHEATD-AGIUHOORSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)C(C)(C)C(F)F ZINC000657831024 411608410 /nfs/dbraw/zinc/60/84/10/411608410.db2.gz PYXJTKCLNJKKPF-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657866295 411613125 /nfs/dbraw/zinc/61/31/25/411613125.db2.gz ZHZCDILWFGLBIT-HZSPNIEDSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000657866295 411613127 /nfs/dbraw/zinc/61/31/27/411613127.db2.gz ZHZCDILWFGLBIT-HZSPNIEDSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[N@H+](C)C1CC1 ZINC000657871965 411613809 /nfs/dbraw/zinc/61/38/09/411613809.db2.gz LKBDZRZOHUJILW-UWVGGRQHSA-N 2 2 248.361 2.739 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[N@@H+](C)C1CC1 ZINC000657871965 411613810 /nfs/dbraw/zinc/61/38/10/411613810.db2.gz LKBDZRZOHUJILW-UWVGGRQHSA-N 2 2 248.361 2.739 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)o1 ZINC000132087996 411769178 /nfs/dbraw/zinc/76/91/78/411769178.db2.gz XNBJULPCMXRQIS-LSDHHAIUSA-N 2 2 242.322 2.822 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000357354889 170708414 /nfs/dbraw/zinc/70/84/14/170708414.db2.gz MWLUAUTUAIWCAQ-DGCLKSJQSA-N 2 2 235.375 2.705 20 0 BFADLP CCC1(CC)CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000661672428 411834063 /nfs/dbraw/zinc/83/40/63/411834063.db2.gz MLIKQBKDRTXPFU-UHFFFAOYSA-N 2 2 249.402 2.865 20 0 BFADLP CCC1(CC)CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000661672428 411834066 /nfs/dbraw/zinc/83/40/66/411834066.db2.gz MLIKQBKDRTXPFU-UHFFFAOYSA-N 2 2 249.402 2.865 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCC(F)CC1 ZINC000661998649 411937494 /nfs/dbraw/zinc/93/74/94/411937494.db2.gz LPBJBPVWNCVENQ-BLYZHGLHSA-N 2 2 242.382 2.587 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCC(F)CC1 ZINC000661998649 411937498 /nfs/dbraw/zinc/93/74/98/411937498.db2.gz LPBJBPVWNCVENQ-BLYZHGLHSA-N 2 2 242.382 2.587 20 0 BFADLP CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cc[nH+]c1 ZINC000662129371 411996711 /nfs/dbraw/zinc/99/67/11/411996711.db2.gz CLGREBQCYLNSHM-AGUYFDCRSA-N 2 2 233.359 2.536 20 0 BFADLP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cc[nH+]c1 ZINC000662129371 411996714 /nfs/dbraw/zinc/99/67/14/411996714.db2.gz CLGREBQCYLNSHM-AGUYFDCRSA-N 2 2 233.359 2.536 20 0 BFADLP c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)[nH+]c1 ZINC000664679989 412008734 /nfs/dbraw/zinc/00/87/34/412008734.db2.gz JLMUVZHAOGULDW-AWEZNQCLSA-N 2 2 245.370 2.616 20 0 BFADLP c1ccc(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[nH+]c1 ZINC000664679989 412008739 /nfs/dbraw/zinc/00/87/39/412008739.db2.gz JLMUVZHAOGULDW-AWEZNQCLSA-N 2 2 245.370 2.616 20 0 BFADLP CC[C@@H]1CCC[C@H](C)[N@@H+]1CCn1cc[nH+]c1 ZINC000662159688 412013759 /nfs/dbraw/zinc/01/37/59/412013759.db2.gz CJDROJCPPYDIRD-QWHCGFSZSA-N 2 2 221.348 2.536 20 0 BFADLP CC[C@@H]1CCC[C@H](C)[N@H+]1CCn1cc[nH+]c1 ZINC000662159688 412013762 /nfs/dbraw/zinc/01/37/62/412013762.db2.gz CJDROJCPPYDIRD-QWHCGFSZSA-N 2 2 221.348 2.536 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC000662233189 412032151 /nfs/dbraw/zinc/03/21/51/412032151.db2.gz BJHASEDMQSACMA-TZMCWYRMSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC000662233189 412032155 /nfs/dbraw/zinc/03/21/55/412032155.db2.gz BJHASEDMQSACMA-TZMCWYRMSA-N 2 2 224.392 2.768 20 0 BFADLP CC1(C)CCCC[C@H]1C[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000662234160 412032925 /nfs/dbraw/zinc/03/29/25/412032925.db2.gz JDDZZRZJOLMAKE-QWHCGFSZSA-N 2 2 224.392 2.626 20 0 BFADLP CC1(C)CCCC[C@H]1C[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000662234160 412032928 /nfs/dbraw/zinc/03/29/28/412032928.db2.gz JDDZZRZJOLMAKE-QWHCGFSZSA-N 2 2 224.392 2.626 20 0 BFADLP C[C@H](C[NH3+])[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000662242900 412037987 /nfs/dbraw/zinc/03/79/87/412037987.db2.gz FATOSKOMOPMARR-GFCCVEGCSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000662242900 412037991 /nfs/dbraw/zinc/03/79/91/412037991.db2.gz FATOSKOMOPMARR-GFCCVEGCSA-N 2 2 234.387 2.763 20 0 BFADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccsc1Cl ZINC000662248797 412046270 /nfs/dbraw/zinc/04/62/70/412046270.db2.gz DFJKBZBSJZBVFB-LLVKDONJSA-N 2 2 246.807 2.865 20 0 BFADLP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000662265263 412056844 /nfs/dbraw/zinc/05/68/44/412056844.db2.gz OQZRIUYCSJOATJ-QDMKHBRRSA-N 2 2 248.414 2.641 20 0 BFADLP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000662265263 412056847 /nfs/dbraw/zinc/05/68/47/412056847.db2.gz OQZRIUYCSJOATJ-QDMKHBRRSA-N 2 2 248.414 2.641 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[N@H+](C)CC ZINC000309723845 171050145 /nfs/dbraw/zinc/05/01/45/171050145.db2.gz XBVZZGUAUTYKCP-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[N@@H+](C)CC ZINC000309723845 171050146 /nfs/dbraw/zinc/05/01/46/171050146.db2.gz XBVZZGUAUTYKCP-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336712770 171282615 /nfs/dbraw/zinc/28/26/15/171282615.db2.gz OVWDFGAHYCIOGA-GXTWGEPZSA-N 2 2 234.343 2.581 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336712770 171282616 /nfs/dbraw/zinc/28/26/16/171282616.db2.gz OVWDFGAHYCIOGA-GXTWGEPZSA-N 2 2 234.343 2.581 20 0 BFADLP CC[C@H](C)C[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000020129457 171288356 /nfs/dbraw/zinc/28/83/56/171288356.db2.gz BWEUGRUXYDQXHE-DZGCQCFKSA-N 2 2 234.387 2.925 20 0 BFADLP CC[C@H](C)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000152250719 171344498 /nfs/dbraw/zinc/34/44/98/171344498.db2.gz IWDUMHCZLWSJOU-LBPRGKRZSA-N 2 2 229.327 2.760 20 0 BFADLP CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000181781670 171348785 /nfs/dbraw/zinc/34/87/85/171348785.db2.gz MKTRXCQMWBAZLX-AEGPPILISA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000181781670 171348787 /nfs/dbraw/zinc/34/87/87/171348787.db2.gz MKTRXCQMWBAZLX-AEGPPILISA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767598 171388500 /nfs/dbraw/zinc/38/85/00/171388500.db2.gz NSNFEKSUUSDEGC-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028719 171389039 /nfs/dbraw/zinc/38/90/39/171389039.db2.gz LZDWKALWICXCMU-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000665245480 412185392 /nfs/dbraw/zinc/18/53/92/412185392.db2.gz KFCAPIANTMKLJG-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000665243479 412186684 /nfs/dbraw/zinc/18/66/84/412186684.db2.gz HFHKDZOVMRVGRF-HUBLWGQQSA-N 2 2 230.355 2.577 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000665245211 412189434 /nfs/dbraw/zinc/18/94/34/412189434.db2.gz BUOQALLDCLODTQ-ZBFHGGJFSA-N 2 2 246.398 2.924 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1C ZINC000665276753 412219438 /nfs/dbraw/zinc/21/94/38/412219438.db2.gz LUNHVCXCZLBXKQ-HLIUYOAVSA-N 2 2 244.382 2.706 20 0 BFADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccs1 ZINC000665276533 412219673 /nfs/dbraw/zinc/21/96/73/412219673.db2.gz FUPDTAXSEPIIIB-AKJDGMEZSA-N 2 2 236.384 2.541 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665277246 412221621 /nfs/dbraw/zinc/22/16/21/412221621.db2.gz XMGDDHYJCHSKIO-XEBKBJJBSA-N 2 2 244.382 2.652 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000665294060 412239054 /nfs/dbraw/zinc/23/90/54/412239054.db2.gz HIVWIAPNPRHECL-ZANVPECISA-N 2 2 238.762 2.525 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000665295662 412239129 /nfs/dbraw/zinc/23/91/29/412239129.db2.gz HLGYQYZFBYOVID-DZGCQCFKSA-N 2 2 234.387 2.971 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000665293777 412239763 /nfs/dbraw/zinc/23/97/63/412239763.db2.gz CHIQNTZBZQZTMM-WDEREUQCSA-N 2 2 238.400 2.667 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1cccc(Cl)c1 ZINC000665294509 412240274 /nfs/dbraw/zinc/24/02/74/412240274.db2.gz QBEJMJRJMLDNEF-ZWNOBZJWSA-N 2 2 240.778 2.989 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000665295006 412241026 /nfs/dbraw/zinc/24/10/26/412241026.db2.gz ZNMALDRNIVPJQA-CHWSQXEVSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000665295007 412241174 /nfs/dbraw/zinc/24/11/74/412241174.db2.gz ZNMALDRNIVPJQA-OLZOCXBDSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000665296363 412243167 /nfs/dbraw/zinc/24/31/67/412243167.db2.gz RRGLNUKVGOQEDW-TZMCWYRMSA-N 2 2 220.360 2.581 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccccc1)C(C)C ZINC000665296362 412243412 /nfs/dbraw/zinc/24/34/12/412243412.db2.gz RRGLNUKVGOQEDW-OCCSQVGLSA-N 2 2 220.360 2.581 20 0 BFADLP CCC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccsc1 ZINC000665297575 412244832 /nfs/dbraw/zinc/24/48/32/412244832.db2.gz IKIWYTWAGQLZKW-JQWIXIFHSA-N 2 2 226.389 2.787 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](CCC(C)C)c1ccoc1 ZINC000665298078 412245738 /nfs/dbraw/zinc/24/57/38/412245738.db2.gz RHZDHCQUMUFTST-TZMCWYRMSA-N 2 2 238.375 2.954 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C1CCC2(CC2)CC1 ZINC000309926898 172395543 /nfs/dbraw/zinc/39/55/43/172395543.db2.gz VSTXSIRPJPQVMG-UHFFFAOYSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000107787160 173032853 /nfs/dbraw/zinc/03/28/53/173032853.db2.gz KNFUIUNVQGAVJJ-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1 ZINC000107787160 173032855 /nfs/dbraw/zinc/03/28/55/173032855.db2.gz KNFUIUNVQGAVJJ-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC000107800112 173056473 /nfs/dbraw/zinc/05/64/73/173056473.db2.gz INKCKAMNBUIXHF-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC000107800112 173056475 /nfs/dbraw/zinc/05/64/75/173056475.db2.gz INKCKAMNBUIXHF-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000042545796 173155322 /nfs/dbraw/zinc/15/53/22/173155322.db2.gz YXSBWGNDYLNJOZ-YJNKXOJESA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000042545796 173155325 /nfs/dbraw/zinc/15/53/25/173155325.db2.gz YXSBWGNDYLNJOZ-YJNKXOJESA-N 2 2 236.403 2.639 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc(C)sc1C ZINC000133286289 173368689 /nfs/dbraw/zinc/36/86/89/173368689.db2.gz HGHVMMJNHCYOCY-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc(C)sc1C ZINC000133286289 173368692 /nfs/dbraw/zinc/36/86/92/173368692.db2.gz HGHVMMJNHCYOCY-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000133031248 173369734 /nfs/dbraw/zinc/36/97/34/173369734.db2.gz AECZZGAUUYQBTE-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1coc2ccccc12 ZINC000133031248 173369735 /nfs/dbraw/zinc/36/97/35/173369735.db2.gz AECZZGAUUYQBTE-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+](C)CC[NH3+] ZINC000054416833 176014571 /nfs/dbraw/zinc/01/45/71/176014571.db2.gz PSJRPINHMHASMC-VIFPVBQESA-N 2 2 246.276 2.657 20 0 BFADLP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+](C)CC[NH3+] ZINC000054416833 176014573 /nfs/dbraw/zinc/01/45/73/176014573.db2.gz PSJRPINHMHASMC-VIFPVBQESA-N 2 2 246.276 2.657 20 0 BFADLP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CC[NH3+] ZINC000054416743 176016434 /nfs/dbraw/zinc/01/64/34/176016434.db2.gz DBUBMJRKBDFUNZ-LBPRGKRZSA-N 2 2 228.339 2.791 20 0 BFADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+](C)CC[NH3+] ZINC000054416743 176016435 /nfs/dbraw/zinc/01/64/35/176016435.db2.gz DBUBMJRKBDFUNZ-LBPRGKRZSA-N 2 2 228.339 2.791 20 0 BFADLP C[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000173982617 176108490 /nfs/dbraw/zinc/10/84/90/176108490.db2.gz VJHFSDBCMUTQSK-CYBMUJFWSA-N 2 2 241.338 2.857 20 0 BFADLP C[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000173982617 176108491 /nfs/dbraw/zinc/10/84/91/176108491.db2.gz VJHFSDBCMUTQSK-CYBMUJFWSA-N 2 2 241.338 2.857 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+]C2(C[NH+](C)C)CCC2)C1 ZINC000337268371 176118910 /nfs/dbraw/zinc/11/89/10/176118910.db2.gz XNPJJYHJGMPOFV-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000062619232 176184913 /nfs/dbraw/zinc/18/49/13/176184913.db2.gz YMMPMCVOFGOCCU-LLVKDONJSA-N 2 2 238.762 2.524 20 0 BFADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1cccc(Cl)c1 ZINC000062619232 176184915 /nfs/dbraw/zinc/18/49/15/176184915.db2.gz YMMPMCVOFGOCCU-LLVKDONJSA-N 2 2 238.762 2.524 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000360772028 176273443 /nfs/dbraw/zinc/27/34/43/176273443.db2.gz KVKINNJRBPPHQY-ZSAUSMIDSA-N 2 2 238.419 2.598 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000360772028 176273444 /nfs/dbraw/zinc/27/34/44/176273444.db2.gz KVKINNJRBPPHQY-ZSAUSMIDSA-N 2 2 238.419 2.598 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000358064185 176274768 /nfs/dbraw/zinc/27/47/68/176274768.db2.gz PIRHROFFUIKYQR-UHOFOFEASA-N 2 2 244.382 2.677 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000358064185 176274770 /nfs/dbraw/zinc/27/47/70/176274770.db2.gz PIRHROFFUIKYQR-UHOFOFEASA-N 2 2 244.382 2.677 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000358361219 176282566 /nfs/dbraw/zinc/28/25/66/176282566.db2.gz AVIFFHKZDSRCHM-ZHGJTGPASA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000358361219 176282568 /nfs/dbraw/zinc/28/25/68/176282568.db2.gz AVIFFHKZDSRCHM-ZHGJTGPASA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000336594817 176363375 /nfs/dbraw/zinc/36/33/75/176363375.db2.gz MWWRXEYWRPCKNW-VXGBXAGGSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000336594817 176363377 /nfs/dbraw/zinc/36/33/77/176363377.db2.gz MWWRXEYWRPCKNW-VXGBXAGGSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000289288744 176376067 /nfs/dbraw/zinc/37/60/67/176376067.db2.gz QYLJWRYLDDHLHK-IUODEOHRSA-N 2 2 241.338 2.721 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000095936747 177040465 /nfs/dbraw/zinc/04/04/65/177040465.db2.gz UNNZMQCLCNEIDY-HIFRSBDPSA-N 2 2 230.355 2.576 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000095936747 177040466 /nfs/dbraw/zinc/04/04/66/177040466.db2.gz UNNZMQCLCNEIDY-HIFRSBDPSA-N 2 2 230.355 2.576 20 0 BFADLP C[C@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000183471953 177077087 /nfs/dbraw/zinc/07/70/87/177077087.db2.gz SWWJRWQIPBLWCO-LBPRGKRZSA-N 2 2 229.327 2.709 20 0 BFADLP C[C@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000183471953 177077090 /nfs/dbraw/zinc/07/70/90/177077090.db2.gz SWWJRWQIPBLWCO-LBPRGKRZSA-N 2 2 229.327 2.709 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000053343724 177088890 /nfs/dbraw/zinc/08/88/90/177088890.db2.gz UKEQBIOHEJZNQF-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000053343724 177088893 /nfs/dbraw/zinc/08/88/93/177088893.db2.gz UKEQBIOHEJZNQF-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[C@H](C)C1[NH2+]CC(C)(C)[NH+](C)C ZINC000020125707 177130588 /nfs/dbraw/zinc/13/05/88/177130588.db2.gz SIILGQGCEYLFNR-RYUDHWBXSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1CC[N@H+](CCC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000336707568 177158861 /nfs/dbraw/zinc/15/88/61/177158861.db2.gz NOGQEGKMFGZJDS-JSGCOSHPSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@H]1CC[N@@H+](CCC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000336707568 177158863 /nfs/dbraw/zinc/15/88/63/177158863.db2.gz NOGQEGKMFGZJDS-JSGCOSHPSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1Cl ZINC000062619244 177174525 /nfs/dbraw/zinc/17/45/25/177174525.db2.gz GJWYPJSLPMCSCG-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1Cl ZINC000062619244 177174527 /nfs/dbraw/zinc/17/45/27/177174527.db2.gz GJWYPJSLPMCSCG-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCC(C)(C)C ZINC000309774682 177237654 /nfs/dbraw/zinc/23/76/54/177237654.db2.gz LJTPIOMOCIJUEF-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCC(C)(C)C ZINC000309774682 177237656 /nfs/dbraw/zinc/23/76/56/177237656.db2.gz LJTPIOMOCIJUEF-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000358410684 177239727 /nfs/dbraw/zinc/23/97/27/177239727.db2.gz WJHRIAGJNREZCI-ZOBORPQBSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000358410684 177239728 /nfs/dbraw/zinc/23/97/28/177239728.db2.gz WJHRIAGJNREZCI-ZOBORPQBSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000353250602 177334358 /nfs/dbraw/zinc/33/43/58/177334358.db2.gz PBYGXWHWIIIXDQ-VOAKCMCISA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000353250602 177334359 /nfs/dbraw/zinc/33/43/59/177334359.db2.gz PBYGXWHWIIIXDQ-VOAKCMCISA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H]1C[C@H]([NH+](C)Cc2ccsc2)CC[N@@H+]1C ZINC000093644968 177365352 /nfs/dbraw/zinc/36/53/52/177365352.db2.gz RFBBULSTKVYMJQ-WCQYABFASA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@H]([NH+](C)Cc2ccsc2)CC[N@H+]1C ZINC000093644968 177365353 /nfs/dbraw/zinc/36/53/53/177365353.db2.gz RFBBULSTKVYMJQ-WCQYABFASA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccsc2)CC[NH+]1C ZINC000093644968 177365354 /nfs/dbraw/zinc/36/53/54/177365354.db2.gz RFBBULSTKVYMJQ-WCQYABFASA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccsc2)CC[NH+]1C ZINC000093644968 177365355 /nfs/dbraw/zinc/36/53/55/177365355.db2.gz RFBBULSTKVYMJQ-WCQYABFASA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1c2ccccc2CC[C@H]1C)[NH+](C)C ZINC000678769227 487638968 /nfs/dbraw/zinc/63/89/68/487638968.db2.gz PKOFBTODYTWGPQ-WWGRRREGSA-N 2 2 246.398 2.850 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324911979 487642699 /nfs/dbraw/zinc/64/26/99/487642699.db2.gz JTYHYVWEUHOYKC-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000324911979 487642703 /nfs/dbraw/zinc/64/27/03/487642703.db2.gz JTYHYVWEUHOYKC-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324911982 487642890 /nfs/dbraw/zinc/64/28/90/487642890.db2.gz JTYHYVWEUHOYKC-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000324911982 487642896 /nfs/dbraw/zinc/64/28/96/487642896.db2.gz JTYHYVWEUHOYKC-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000486970741 225277057 /nfs/dbraw/zinc/27/70/57/225277057.db2.gz NUXQYHRKPRSPAN-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000486970741 225277058 /nfs/dbraw/zinc/27/70/58/225277058.db2.gz NUXQYHRKPRSPAN-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccc([C@H](C[NH2+]C[C@H]2C[C@@H]2C)[NH+](C)C)cc1 ZINC000488429072 225396573 /nfs/dbraw/zinc/39/65/73/225396573.db2.gz WXJPCYMGRJGEDO-IMJJTQAJSA-N 2 2 246.398 2.843 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494413886 226264744 /nfs/dbraw/zinc/26/47/44/226264744.db2.gz UWGVPMGOKNPFRP-MGPQQGTHSA-N 2 2 247.386 2.614 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)[C@@H]1C ZINC000494990036 226273934 /nfs/dbraw/zinc/27/39/34/226273934.db2.gz APZPPYKFSYNOIW-GBOPCIDUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)[C@@H]1C ZINC000494990036 226273935 /nfs/dbraw/zinc/27/39/35/226273935.db2.gz APZPPYKFSYNOIW-GBOPCIDUSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000400347577 226341271 /nfs/dbraw/zinc/34/12/71/226341271.db2.gz AKYPURBDSGCVTO-UMVBOHGHSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000300417690 226370409 /nfs/dbraw/zinc/37/04/09/226370409.db2.gz YORNWDMAOLSBQA-SYQHCUMBSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000300417690 226370410 /nfs/dbraw/zinc/37/04/10/226370410.db2.gz YORNWDMAOLSBQA-SYQHCUMBSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC12CC2 ZINC000418106467 487683605 /nfs/dbraw/zinc/68/36/05/487683605.db2.gz ZTBHEWTXWLGTJE-CQSZACIVSA-N 2 2 230.355 2.712 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CC1(C)C)[NH+](C)C ZINC000397821836 262936056 /nfs/dbraw/zinc/93/60/56/262936056.db2.gz KYKDTLCDQYWHSX-MCIONIFRSA-N 2 2 240.435 2.987 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000328525721 487702846 /nfs/dbraw/zinc/70/28/46/487702846.db2.gz UCGOQXLANISZCB-ZFWWWQNUSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000328525721 487702853 /nfs/dbraw/zinc/70/28/53/487702853.db2.gz UCGOQXLANISZCB-ZFWWWQNUSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000675930321 487794210 /nfs/dbraw/zinc/79/42/10/487794210.db2.gz ORQSHRIKYWXCEC-YRGRVCCFSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000675930321 487794214 /nfs/dbraw/zinc/79/42/14/487794214.db2.gz ORQSHRIKYWXCEC-YRGRVCCFSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000681411506 487796278 /nfs/dbraw/zinc/79/62/78/487796278.db2.gz DBBXWADNTDTMKN-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCC[C@H]2C)C1 ZINC000681411506 487796283 /nfs/dbraw/zinc/79/62/83/487796283.db2.gz DBBXWADNTDTMKN-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCCC[C@@H]2C)C1 ZINC000681411505 487796526 /nfs/dbraw/zinc/79/65/26/487796526.db2.gz DBBXWADNTDTMKN-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCC[C@@H]2C)C1 ZINC000681411505 487796533 /nfs/dbraw/zinc/79/65/33/487796533.db2.gz DBBXWADNTDTMKN-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000252198353 487821430 /nfs/dbraw/zinc/82/14/30/487821430.db2.gz STGSRFIXXRZWPO-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000252198353 487821435 /nfs/dbraw/zinc/82/14/35/487821435.db2.gz STGSRFIXXRZWPO-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCCC[C@H]2C)n1C ZINC000668115587 487843693 /nfs/dbraw/zinc/84/36/93/487843693.db2.gz CALBXOPPUATUMK-BXUZGUMPSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2CCCC[C@H]2C)n1C ZINC000668115587 487843695 /nfs/dbraw/zinc/84/36/95/487843695.db2.gz CALBXOPPUATUMK-BXUZGUMPSA-N 2 2 235.375 2.739 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C(C)(C)C ZINC000670267139 487874124 /nfs/dbraw/zinc/87/41/24/487874124.db2.gz RVXMJNATOOHUQR-JSGCOSHPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000670267139 487874129 /nfs/dbraw/zinc/87/41/29/487874129.db2.gz RVXMJNATOOHUQR-JSGCOSHPSA-N 2 2 238.419 2.743 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(F)cc1F ZINC000666758714 487874229 /nfs/dbraw/zinc/87/42/29/487874229.db2.gz FFYXBKYGNQJYSY-GFCCVEGCSA-N 2 2 242.313 2.572 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C(C)(C)C ZINC000670267138 487874238 /nfs/dbraw/zinc/87/42/38/487874238.db2.gz RVXMJNATOOHUQR-GXTWGEPZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000670267138 487874242 /nfs/dbraw/zinc/87/42/42/487874242.db2.gz RVXMJNATOOHUQR-GXTWGEPZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[N@H+](CC2CC2)C1)C(C)(C)C ZINC000670267140 487874260 /nfs/dbraw/zinc/87/42/60/487874260.db2.gz RVXMJNATOOHUQR-OCCSQVGLSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C(C)(C)C ZINC000670267140 487874263 /nfs/dbraw/zinc/87/42/63/487874263.db2.gz RVXMJNATOOHUQR-OCCSQVGLSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1C ZINC000666767178 487875359 /nfs/dbraw/zinc/87/53/59/487875359.db2.gz ZKXNGOGEGDPTIH-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP C[C@@H](CC1CCC1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000666787318 487879346 /nfs/dbraw/zinc/87/93/46/487879346.db2.gz GGCRVPUKCNGENI-SWLSCSKDSA-N 2 2 232.371 2.855 20 0 BFADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccco1 ZINC000652220682 487885640 /nfs/dbraw/zinc/88/56/40/487885640.db2.gz GWGHXOOWPJAXBS-CYBMUJFWSA-N 2 2 238.375 2.908 20 0 BFADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccco1 ZINC000652220682 487885644 /nfs/dbraw/zinc/88/56/44/487885644.db2.gz GWGHXOOWPJAXBS-CYBMUJFWSA-N 2 2 238.375 2.908 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c(C)s1 ZINC000666885693 487897695 /nfs/dbraw/zinc/89/76/95/487897695.db2.gz VUFZKQNXDOTIHO-GXFFZTMASA-N 2 2 238.400 2.595 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000663315686 487927794 /nfs/dbraw/zinc/92/77/94/487927794.db2.gz MHGJLOMYCBKXBK-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000663315686 487927799 /nfs/dbraw/zinc/92/77/99/487927799.db2.gz MHGJLOMYCBKXBK-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000235205882 487932942 /nfs/dbraw/zinc/93/29/42/487932942.db2.gz PWEDBSGSURAILG-UKRRQHHQSA-N 2 2 232.371 2.788 20 0 BFADLP CC1(C)CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000094308336 322977108 /nfs/dbraw/zinc/97/71/08/322977108.db2.gz CWSDEIVYENQVKL-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000562426307 323019547 /nfs/dbraw/zinc/01/95/47/323019547.db2.gz LVEKFVPNQBRZOJ-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC000562426307 323019548 /nfs/dbraw/zinc/01/95/48/323019548.db2.gz LVEKFVPNQBRZOJ-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@H+](CC2(C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000562626668 323025898 /nfs/dbraw/zinc/02/58/98/323025898.db2.gz VERNFVQYGUXBID-OLZOCXBDSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2(C)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000562626668 323025899 /nfs/dbraw/zinc/02/58/99/323025899.db2.gz VERNFVQYGUXBID-OLZOCXBDSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccsc1Cl ZINC000312584253 323036240 /nfs/dbraw/zinc/03/62/40/323036240.db2.gz ZLKFDPJQJFICGR-WCBMZHEXSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccsc1Cl ZINC000312584253 323036241 /nfs/dbraw/zinc/03/62/41/323036241.db2.gz ZLKFDPJQJFICGR-WCBMZHEXSA-N 2 2 244.791 2.713 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC2CCCCCC2)n1C ZINC000569989427 323046730 /nfs/dbraw/zinc/04/67/30/323046730.db2.gz YXCWQOHDRLWUJQ-UHFFFAOYSA-N 2 2 235.375 2.789 20 0 BFADLP C1CC12CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000570107506 323050201 /nfs/dbraw/zinc/05/02/01/323050201.db2.gz MMSZMQNVNPQSHT-ZFWWWQNUSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC12CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000570107506 323050202 /nfs/dbraw/zinc/05/02/02/323050202.db2.gz MMSZMQNVNPQSHT-ZFWWWQNUSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2c[nH+]cn2C)[C@@H]2CCCC[C@@H]12 ZINC000531438113 323089639 /nfs/dbraw/zinc/08/96/39/323089639.db2.gz ASANMECKTVEPRU-VHDGCEQUSA-N 2 2 247.386 2.821 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]cn2C)[C@@H]2CCCC[C@@H]12 ZINC000531438113 323089640 /nfs/dbraw/zinc/08/96/40/323089640.db2.gz ASANMECKTVEPRU-VHDGCEQUSA-N 2 2 247.386 2.821 20 0 BFADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000531691638 323111664 /nfs/dbraw/zinc/11/16/64/323111664.db2.gz VCMJXTMQWKJVHF-ZFWWWQNUSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000531691638 323111665 /nfs/dbraw/zinc/11/16/65/323111665.db2.gz VCMJXTMQWKJVHF-ZFWWWQNUSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC2(C3CCC3)CCC2)n1C ZINC000571179455 323137613 /nfs/dbraw/zinc/13/76/13/323137613.db2.gz PEULMDYRPNLFNV-UHFFFAOYSA-N 2 2 247.386 2.789 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000531951426 323156980 /nfs/dbraw/zinc/15/69/80/323156980.db2.gz SFQVEZRTBMMGLS-CZUORRHYSA-N 2 2 246.398 2.850 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000531951426 323156981 /nfs/dbraw/zinc/15/69/81/323156981.db2.gz SFQVEZRTBMMGLS-CZUORRHYSA-N 2 2 246.398 2.850 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983924 323164057 /nfs/dbraw/zinc/16/40/57/323164057.db2.gz MRTGRNOKCOXYTI-LSDHHAIUSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983924 323164058 /nfs/dbraw/zinc/16/40/58/323164058.db2.gz MRTGRNOKCOXYTI-LSDHHAIUSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C(C)(C)C3CC3)n2c1 ZINC000536552957 323197141 /nfs/dbraw/zinc/19/71/41/323197141.db2.gz ZZWUQWQPSGNCIG-UHFFFAOYSA-N 2 2 243.354 2.921 20 0 BFADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CCCC1 ZINC000054081407 323202723 /nfs/dbraw/zinc/20/27/23/323202723.db2.gz KRAJLSAIPVFBAL-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000532240316 323211136 /nfs/dbraw/zinc/21/11/36/323211136.db2.gz LDMHNOOUYPLGIO-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000532240316 323211137 /nfs/dbraw/zinc/21/11/37/323211137.db2.gz LDMHNOOUYPLGIO-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCCC2(C)C)C1 ZINC000532240317 323211182 /nfs/dbraw/zinc/21/11/82/323211182.db2.gz LDMHNOOUYPLGIO-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530222882 323218318 /nfs/dbraw/zinc/21/83/18/323218318.db2.gz SADNEAOGVXGTKR-OCCSQVGLSA-N 2 2 230.355 2.622 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)o1 ZINC000530222826 323218346 /nfs/dbraw/zinc/21/83/46/323218346.db2.gz RYHNTBKOKDRTRP-FZMZJTMJSA-N 2 2 248.370 2.832 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000532450990 323268406 /nfs/dbraw/zinc/26/84/06/323268406.db2.gz OBERFUVCUOAHPW-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000532450990 323268409 /nfs/dbraw/zinc/26/84/09/323268409.db2.gz OBERFUVCUOAHPW-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)[C@@H]1CC12CC2 ZINC000527850445 323707096 /nfs/dbraw/zinc/70/70/96/323707096.db2.gz SJIGUPPFXULIAW-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400795203 324168714 /nfs/dbraw/zinc/16/87/14/324168714.db2.gz SRVRPBMTSBDJDJ-GZBFAFLISA-N 2 2 232.371 2.786 20 0 BFADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000529669371 324374969 /nfs/dbraw/zinc/37/49/69/324374969.db2.gz LZNYMWXRZSIMSJ-SYAUCNOPSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000529669371 324374973 /nfs/dbraw/zinc/37/49/73/324374973.db2.gz LZNYMWXRZSIMSJ-SYAUCNOPSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+]C1CC2(CCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000529669308 324375169 /nfs/dbraw/zinc/37/51/69/324375169.db2.gz LIIHHIDGGYFDAV-OAHLLOKOSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+]C1CC2(CCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000529669308 324375174 /nfs/dbraw/zinc/37/51/74/324375174.db2.gz LIIHHIDGGYFDAV-OAHLLOKOSA-N 2 2 248.414 2.926 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037184098 324405532 /nfs/dbraw/zinc/40/55/32/324405532.db2.gz ALYFUCDNIPRHOD-CVEARBPZSA-N 2 2 246.398 2.864 20 0 BFADLP c1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218169 324534580 /nfs/dbraw/zinc/53/45/80/324534580.db2.gz HYTPNOAVWYJPTM-HUUCEWRRSA-N 2 2 242.366 2.548 20 0 BFADLP CC[C@H](C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000124991673 324630232 /nfs/dbraw/zinc/63/02/32/324630232.db2.gz GOMFVTIJODMBGB-NSHDSACASA-N 2 2 217.316 2.531 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000129264260 324933059 /nfs/dbraw/zinc/93/30/59/324933059.db2.gz YGVVQAFQLQAIKL-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000130225839 325026186 /nfs/dbraw/zinc/02/61/86/325026186.db2.gz NEPZUHLSADKEIM-LSDHHAIUSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000130387109 325046985 /nfs/dbraw/zinc/04/69/85/325046985.db2.gz UTYKQRHYASFWHA-AVGNSLFASA-N 2 2 226.408 2.741 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CC1CCCCC1 ZINC000130381891 325046804 /nfs/dbraw/zinc/04/68/04/325046804.db2.gz BWDMEJKRTMSNMQ-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CCCCC1 ZINC000130381891 325046809 /nfs/dbraw/zinc/04/68/09/325046809.db2.gz BWDMEJKRTMSNMQ-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CCC(CC)C[N@H+](CC)CCn1cc[nH+]c1 ZINC000130662532 325077801 /nfs/dbraw/zinc/07/78/01/325077801.db2.gz MNNMSIICWFETLR-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CCC(CC)C[N@@H+](CC)CCn1cc[nH+]c1 ZINC000130662532 325077803 /nfs/dbraw/zinc/07/78/03/325077803.db2.gz MNNMSIICWFETLR-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C)[N@H+](C)C1CC1 ZINC000131036136 325109740 /nfs/dbraw/zinc/10/97/40/325109740.db2.gz FSLQGPZTFPGFHG-BZPMIXESSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000131036136 325109741 /nfs/dbraw/zinc/10/97/41/325109741.db2.gz FSLQGPZTFPGFHG-BZPMIXESSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CCCC1 ZINC000131118876 325119502 /nfs/dbraw/zinc/11/95/02/325119502.db2.gz AXIMKVRHNPZEBE-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CCCC1 ZINC000131118876 325119504 /nfs/dbraw/zinc/11/95/04/325119504.db2.gz AXIMKVRHNPZEBE-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H](C)[C@@H](C)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000131137095 325120879 /nfs/dbraw/zinc/12/08/79/325120879.db2.gz CQEHEGFVPWAODU-QWHCGFSZSA-N 2 2 235.375 2.782 20 0 BFADLP CC[C@H](C)[C@@H](C)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000131137095 325120882 /nfs/dbraw/zinc/12/08/82/325120882.db2.gz CQEHEGFVPWAODU-QWHCGFSZSA-N 2 2 235.375 2.782 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC000544371346 325139963 /nfs/dbraw/zinc/13/99/63/325139963.db2.gz PBTYBFXAZNVBDA-QLFBSQMISA-N 2 2 238.419 2.744 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H]2CCCC[C@@H]2C)C1 ZINC000544371346 325139965 /nfs/dbraw/zinc/13/99/65/325139965.db2.gz PBTYBFXAZNVBDA-QLFBSQMISA-N 2 2 238.419 2.744 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000132328022 325211304 /nfs/dbraw/zinc/21/13/04/325211304.db2.gz JVBTUZCDDWRBGZ-KGLIPLIRSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000132328470 325211492 /nfs/dbraw/zinc/21/14/92/325211492.db2.gz JVBTUZCDDWRBGZ-UONOGXRCSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1Cl ZINC000133208150 325277629 /nfs/dbraw/zinc/27/76/29/325277629.db2.gz OANJOSUCDVADNU-UHFFFAOYSA-N 2 2 247.169 2.774 20 0 BFADLP C[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1Cl ZINC000133208150 325277631 /nfs/dbraw/zinc/27/76/31/325277631.db2.gz OANJOSUCDVADNU-UHFFFAOYSA-N 2 2 247.169 2.774 20 0 BFADLP CC1(C)CC(C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000547717422 325387781 /nfs/dbraw/zinc/38/77/81/325387781.db2.gz VAYORNPCGUGSSN-UHFFFAOYSA-N 2 2 243.354 2.860 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000554086593 325705128 /nfs/dbraw/zinc/70/51/28/325705128.db2.gz XXDFBPZWSNZQCI-SDADXPQNSA-N 2 2 246.398 2.718 20 0 BFADLP Cc1ccc2cc[nH+]c(N[C@@H](C)C[NH+](C)C)c2c1 ZINC000565478452 325916576 /nfs/dbraw/zinc/91/65/76/325916576.db2.gz SGDRFHPQOMZVOZ-LBPRGKRZSA-N 2 2 243.354 2.905 20 0 BFADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CC(C)(C)C1 ZINC000565902558 325972707 /nfs/dbraw/zinc/97/27/07/325972707.db2.gz XUYLNMPIJWKNIF-CYBMUJFWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CC(C)(C)C)n1C ZINC000566499428 326059138 /nfs/dbraw/zinc/05/91/38/326059138.db2.gz TZUSCSGCAIBXRG-JTQLQIEISA-N 2 2 223.364 2.643 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H](C)Cc2cccs2)n1C ZINC000566690540 326075443 /nfs/dbraw/zinc/07/54/43/326075443.db2.gz UJMWUHZEWBRTBO-SNVBAGLBSA-N 2 2 249.383 2.511 20 0 BFADLP CC[C@@H](C)C[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000568275737 326339755 /nfs/dbraw/zinc/33/97/55/326339755.db2.gz WTTYOKFMERWSGR-OCCSQVGLSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000158757492 326342446 /nfs/dbraw/zinc/34/24/46/326342446.db2.gz NZOVPXFCNPYCSU-AWEZNQCLSA-N 2 2 248.414 2.894 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)c1ccccc1 ZINC000158757492 326342448 /nfs/dbraw/zinc/34/24/48/326342448.db2.gz NZOVPXFCNPYCSU-AWEZNQCLSA-N 2 2 248.414 2.894 20 0 BFADLP CCc1[nH+]c(C)ccc1OCCC1CC[NH2+]CC1 ZINC000568383293 326351770 /nfs/dbraw/zinc/35/17/70/326351770.db2.gz YDTBRFLSYWXZMG-UHFFFAOYSA-N 2 2 248.370 2.721 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000569141185 326392968 /nfs/dbraw/zinc/39/29/68/326392968.db2.gz VCPVGSBRHWEZFE-RRFJBIMHSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000235524268 487977388 /nfs/dbraw/zinc/97/73/88/487977388.db2.gz DEPWINOSPKABGJ-KBPBESRZSA-N 2 2 232.371 2.788 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)s1 ZINC000396637548 487992526 /nfs/dbraw/zinc/99/25/26/487992526.db2.gz LSEQQRUJMUCOEC-GWCFXTLKSA-N 2 2 238.400 2.541 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H]2c2ccccc2)n1C ZINC000667464105 488014350 /nfs/dbraw/zinc/01/43/50/488014350.db2.gz HPBWCKSNVOVRTR-HNNXBMFYSA-N 2 2 241.338 2.676 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]2c2ccccc2)n1C ZINC000667464105 488014355 /nfs/dbraw/zinc/01/43/55/488014355.db2.gz HPBWCKSNVOVRTR-HNNXBMFYSA-N 2 2 241.338 2.676 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)C2CCC(C)CC2)n1C ZINC000667484587 488024550 /nfs/dbraw/zinc/02/45/50/488024550.db2.gz QOCAPVIJWWDODB-UHFFFAOYSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)C2CCC(C)CC2)n1C ZINC000667484587 488024551 /nfs/dbraw/zinc/02/45/51/488024551.db2.gz QOCAPVIJWWDODB-UHFFFAOYSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C2CC2)C2CCCC2)n1C ZINC000667498683 488029777 /nfs/dbraw/zinc/02/97/77/488029777.db2.gz RGLFZIZNHWQDAY-UHFFFAOYSA-N 2 2 233.359 2.636 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C2CC2)C2CCCC2)n1C ZINC000667498683 488029782 /nfs/dbraw/zinc/02/97/82/488029782.db2.gz RGLFZIZNHWQDAY-UHFFFAOYSA-N 2 2 233.359 2.636 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)c2cccs2)n1C ZINC000667510388 488034803 /nfs/dbraw/zinc/03/48/03/488034803.db2.gz HKGXJHJHQAEBHB-SNVBAGLBSA-N 2 2 249.383 2.983 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)c2cccs2)n1C ZINC000667510388 488034806 /nfs/dbraw/zinc/03/48/06/488034806.db2.gz HKGXJHJHQAEBHB-SNVBAGLBSA-N 2 2 249.383 2.983 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)n1C ZINC000667517657 488037120 /nfs/dbraw/zinc/03/71/20/488037120.db2.gz ALCZMNTWOSVEEM-JTQLQIEISA-N 2 2 223.364 2.595 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@@H](C)C(C)(C)C)n1C ZINC000667517657 488037125 /nfs/dbraw/zinc/03/71/25/488037125.db2.gz ALCZMNTWOSVEEM-JTQLQIEISA-N 2 2 223.364 2.595 20 0 BFADLP CCC1(CC)CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667621730 488061850 /nfs/dbraw/zinc/06/18/50/488061850.db2.gz TVDMJQJYHZITKI-UHFFFAOYSA-N 2 2 247.386 2.841 20 0 BFADLP CCC1(CC)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667621730 488061846 /nfs/dbraw/zinc/06/18/46/488061846.db2.gz TVDMJQJYHZITKI-UHFFFAOYSA-N 2 2 247.386 2.841 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCCC[C@H]2C(C)C)n1C ZINC000667642650 488067145 /nfs/dbraw/zinc/06/71/45/488067145.db2.gz GDKXPYVHYDPSHI-AWEZNQCLSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCCC[C@H]2C(C)C)n1C ZINC000667642650 488067149 /nfs/dbraw/zinc/06/71/49/488067149.db2.gz GDKXPYVHYDPSHI-AWEZNQCLSA-N 2 2 235.375 2.739 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000389336490 488089748 /nfs/dbraw/zinc/08/97/48/488089748.db2.gz IKZPMAOMSJBZBA-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC000389336490 488089752 /nfs/dbraw/zinc/08/97/52/488089752.db2.gz IKZPMAOMSJBZBA-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)C[C@H](C)C2)n1C ZINC000667695006 488090574 /nfs/dbraw/zinc/09/05/74/488090574.db2.gz HCRAJPSLFBONAS-NEPJUHHUSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)n1C ZINC000667695006 488090576 /nfs/dbraw/zinc/09/05/76/488090576.db2.gz HCRAJPSLFBONAS-NEPJUHHUSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)C[C@@H](C)C2)n1C ZINC000667695007 488090994 /nfs/dbraw/zinc/09/09/94/488090994.db2.gz HCRAJPSLFBONAS-NWDGAFQWSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)n1C ZINC000667695007 488090999 /nfs/dbraw/zinc/09/09/99/488090999.db2.gz HCRAJPSLFBONAS-NWDGAFQWSA-N 2 2 235.375 2.597 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000389433268 488096873 /nfs/dbraw/zinc/09/68/73/488096873.db2.gz ZCSYBKSBNOZWRA-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000389433268 488096876 /nfs/dbraw/zinc/09/68/76/488096876.db2.gz ZCSYBKSBNOZWRA-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000389433267 488097043 /nfs/dbraw/zinc/09/70/43/488097043.db2.gz ZCSYBKSBNOZWRA-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC000389433267 488097048 /nfs/dbraw/zinc/09/70/48/488097048.db2.gz ZCSYBKSBNOZWRA-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000162136242 487539595 /nfs/dbraw/zinc/53/95/95/487539595.db2.gz QBCUIALPSZERKF-QMMMGPOBSA-N 2 2 247.169 2.691 20 0 BFADLP CC(C)(C)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336697697 487556194 /nfs/dbraw/zinc/55/61/94/487556194.db2.gz ZHAZYWKZOMIBSL-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000336697697 487556200 /nfs/dbraw/zinc/55/62/00/487556200.db2.gz ZHAZYWKZOMIBSL-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+](Cc1c[nH+]c(C)n1C)C1CC(C)(C)C1 ZINC000668240664 487532125 /nfs/dbraw/zinc/53/21/25/487532125.db2.gz OLFAPTQGRBONSS-UHFFFAOYSA-N 2 2 235.375 2.739 20 0 BFADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)C1CC(C)(C)C1 ZINC000668240664 487532132 /nfs/dbraw/zinc/53/21/32/487532132.db2.gz OLFAPTQGRBONSS-UHFFFAOYSA-N 2 2 235.375 2.739 20 0 BFADLP C[C@@H](C[NH2+]CC1([NH+](C)C)CCC1)C(C)(C)C ZINC000304232407 487481908 /nfs/dbraw/zinc/48/19/08/487481908.db2.gz BATBGEACWZEYQO-LBPRGKRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+](CC[NH2+]C[C@@H](C)C(C)(C)C)C1CC1 ZINC000304349904 487487590 /nfs/dbraw/zinc/48/75/90/487487590.db2.gz WYCZXDRDRZZSMU-GFCCVEGCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](CC[NH2+]C[C@@H](C)C(C)(C)C)C1CC1 ZINC000304349904 487487594 /nfs/dbraw/zinc/48/75/94/487487594.db2.gz WYCZXDRDRZZSMU-GFCCVEGCSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)C(C)(C)C ZINC000308783400 487488167 /nfs/dbraw/zinc/48/81/67/487488167.db2.gz DRONIQLTPKNJIF-NSHDSACASA-N 2 2 214.397 2.598 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)n1C ZINC000668228898 487490298 /nfs/dbraw/zinc/49/02/98/487490298.db2.gz UDUSZRSZEJJNTA-CYBMUJFWSA-N 2 2 249.402 2.987 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](CC(C)(C)C)C2)n1C ZINC000668228898 487490303 /nfs/dbraw/zinc/49/03/03/487490303.db2.gz UDUSZRSZEJJNTA-CYBMUJFWSA-N 2 2 249.402 2.987 20 0 BFADLP CCC[N@H+](CCC(C)(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000406021453 487497468 /nfs/dbraw/zinc/49/74/68/487497468.db2.gz DUOPSIIILSLAAP-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[N@@H+](CCC(C)(C)C1CC1)[C@H]1CC[NH2+]C1 ZINC000406021453 487497473 /nfs/dbraw/zinc/49/74/73/487497473.db2.gz DUOPSIIILSLAAP-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094079549 487512515 /nfs/dbraw/zinc/51/25/15/487512515.db2.gz OCWHKRGUQFCHNF-SWLSCSKDSA-N 2 2 232.371 2.823 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000685423909 487519886 /nfs/dbraw/zinc/51/98/86/487519886.db2.gz BYMNHPOBYWFCGB-ZFWWWQNUSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000685423909 487519889 /nfs/dbraw/zinc/51/98/89/487519889.db2.gz BYMNHPOBYWFCGB-ZFWWWQNUSA-N 2 2 238.419 2.743 20 0 BFADLP CCC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)C1CCC1 ZINC000668237274 487519922 /nfs/dbraw/zinc/51/99/22/487519922.db2.gz JNPXAONFCNKIFT-CQSZACIVSA-N 2 2 235.375 2.787 20 0 BFADLP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1F ZINC000682029422 487883748 /nfs/dbraw/zinc/88/37/48/487883748.db2.gz OEAKKYGZHIIYCM-KBPBESRZSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1F ZINC000682029422 487883751 /nfs/dbraw/zinc/88/37/51/487883751.db2.gz OEAKKYGZHIIYCM-KBPBESRZSA-N 2 2 242.382 2.542 20 0 BFADLP CC(C)[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668030612 488191010 /nfs/dbraw/zinc/19/10/10/488191010.db2.gz WZHTUCXWMQMIPF-CYBMUJFWSA-N 2 2 247.386 2.697 20 0 BFADLP CC(C)[C@@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668030612 488191011 /nfs/dbraw/zinc/19/10/11/488191011.db2.gz WZHTUCXWMQMIPF-CYBMUJFWSA-N 2 2 247.386 2.697 20 0 BFADLP CC(C)[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668030613 488191238 /nfs/dbraw/zinc/19/12/38/488191238.db2.gz WZHTUCXWMQMIPF-ZDUSSCGKSA-N 2 2 247.386 2.697 20 0 BFADLP CC(C)[C@H]1CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668030613 488191241 /nfs/dbraw/zinc/19/12/41/488191241.db2.gz WZHTUCXWMQMIPF-ZDUSSCGKSA-N 2 2 247.386 2.697 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)n1C ZINC000668047858 488195230 /nfs/dbraw/zinc/19/52/30/488195230.db2.gz NUKBMQJLBLTZMC-WOPDTQHZSA-N 2 2 235.375 2.595 20 0 BFADLP CCC(CC)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235621 488223528 /nfs/dbraw/zinc/22/35/28/488223528.db2.gz LWLNHQBIVPVQPN-AWEZNQCLSA-N 2 2 235.375 2.956 20 0 BFADLP CCC(CC)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235621 488223531 /nfs/dbraw/zinc/22/35/31/488223531.db2.gz LWLNHQBIVPVQPN-AWEZNQCLSA-N 2 2 235.375 2.956 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]C13CCC(CC1)CC3)CCC2 ZINC000668219249 488229964 /nfs/dbraw/zinc/22/99/64/488229964.db2.gz GTYHNNAWIHNLTM-UHFFFAOYSA-N 2 2 245.370 2.642 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)n1C ZINC000668220473 488230151 /nfs/dbraw/zinc/23/01/51/488230151.db2.gz RONAYFBNTHIQKD-CABCVRRESA-N 2 2 249.402 2.841 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C(C)C)[C@@H]2C(C)C)n1C ZINC000668220473 488230153 /nfs/dbraw/zinc/23/01/53/488230153.db2.gz RONAYFBNTHIQKD-CABCVRRESA-N 2 2 249.402 2.841 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000684676937 488338546 /nfs/dbraw/zinc/33/85/46/488338546.db2.gz KPZCSQMUWUXCTL-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000684676937 488338547 /nfs/dbraw/zinc/33/85/47/488338547.db2.gz KPZCSQMUWUXCTL-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000094077227 491074797 /nfs/dbraw/zinc/07/47/97/491074797.db2.gz VPLHLVUWWNHYTM-SWLSCSKDSA-N 2 2 246.398 2.997 20 0 BFADLP C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000400420265 533920190 /nfs/dbraw/zinc/92/01/90/533920190.db2.gz WQFAORHIBXZJMT-WPRPVWTQSA-N 2 2 244.791 2.632 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)[C@@H]1C ZINC000494995419 533946720 /nfs/dbraw/zinc/94/67/20/533946720.db2.gz JRDILUKBYMQVSG-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)[C@@H]1C ZINC000494995419 533946728 /nfs/dbraw/zinc/94/67/28/533946728.db2.gz JRDILUKBYMQVSG-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342924821 535613294 /nfs/dbraw/zinc/61/32/94/535613294.db2.gz GIYJEBBOFQVDGE-DZGCQCFKSA-N 2 2 248.370 2.971 20 0 BFADLP CCC[C@H](C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342924821 535613300 /nfs/dbraw/zinc/61/33/00/535613300.db2.gz GIYJEBBOFQVDGE-DZGCQCFKSA-N 2 2 248.370 2.971 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000494916683 534086817 /nfs/dbraw/zinc/08/68/17/534086817.db2.gz JKNIIIKFBLMOKI-MRLBHPIUSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000494916683 534086823 /nfs/dbraw/zinc/08/68/23/534086823.db2.gz JKNIIIKFBLMOKI-MRLBHPIUSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@H]1C ZINC000494414486 534257621 /nfs/dbraw/zinc/25/76/21/534257621.db2.gz PDWFBHQJHPITJZ-YIYPIFLZSA-N 2 2 247.386 2.612 20 0 BFADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000348091996 536099800 /nfs/dbraw/zinc/09/98/00/536099800.db2.gz ZSEWRZFMYDLZNE-JKSUJKDBSA-N 2 2 246.398 2.897 20 0 BFADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000348091996 536099807 /nfs/dbraw/zinc/09/98/07/536099807.db2.gz ZSEWRZFMYDLZNE-JKSUJKDBSA-N 2 2 246.398 2.897 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC000084329939 536412389 /nfs/dbraw/zinc/41/23/89/536412389.db2.gz APVKWVGVWDBHFE-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000084329939 536412392 /nfs/dbraw/zinc/41/23/92/536412392.db2.gz APVKWVGVWDBHFE-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000469980639 527239909 /nfs/dbraw/zinc/23/99/09/527239909.db2.gz DUDKXQVDTVFZFA-CQSZACIVSA-N 2 2 246.398 2.849 20 0 BFADLP CC(C)([NH3+])C[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000469980639 527239912 /nfs/dbraw/zinc/23/99/12/527239912.db2.gz DUDKXQVDTVFZFA-CQSZACIVSA-N 2 2 246.398 2.849 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000479417151 528172044 /nfs/dbraw/zinc/17/20/44/528172044.db2.gz SKAJZNMLOVRHJA-CJNGLKHVSA-N 2 2 246.398 2.850 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000479417151 528172049 /nfs/dbraw/zinc/17/20/49/528172049.db2.gz SKAJZNMLOVRHJA-CJNGLKHVSA-N 2 2 246.398 2.850 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000487275557 529004766 /nfs/dbraw/zinc/00/47/66/529004766.db2.gz KQDSGUQWQDFSPQ-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000487275557 529004771 /nfs/dbraw/zinc/00/47/71/529004771.db2.gz KQDSGUQWQDFSPQ-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000503018009 529369897 /nfs/dbraw/zinc/36/98/97/529369897.db2.gz OUMAEIBRMNGQCQ-IIAWOOMASA-N 2 2 246.398 2.720 20 0 BFADLP CC[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000503018009 529369898 /nfs/dbraw/zinc/36/98/98/529369898.db2.gz OUMAEIBRMNGQCQ-IIAWOOMASA-N 2 2 246.398 2.720 20 0 BFADLP CC(C)C[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000352295724 535085658 /nfs/dbraw/zinc/08/56/58/535085658.db2.gz AQCJCLUDOMQWQL-KKUMJFAQSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)C[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000352295724 535085654 /nfs/dbraw/zinc/08/56/54/535085654.db2.gz AQCJCLUDOMQWQL-KKUMJFAQSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CC[NH3+] ZINC000262986138 535167557 /nfs/dbraw/zinc/16/75/57/535167557.db2.gz NFBDSLCQXGQYPH-CYBMUJFWSA-N 2 2 240.778 2.928 20 0 BFADLP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CC[NH3+] ZINC000262986138 535167561 /nfs/dbraw/zinc/16/75/61/535167561.db2.gz NFBDSLCQXGQYPH-CYBMUJFWSA-N 2 2 240.778 2.928 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000342690527 535610735 /nfs/dbraw/zinc/61/07/35/535610735.db2.gz RVPADTYFLBVASY-LSDHHAIUSA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000342690527 535610741 /nfs/dbraw/zinc/61/07/41/535610741.db2.gz RVPADTYFLBVASY-LSDHHAIUSA-N 2 2 238.419 2.983 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000164452688 536375128 /nfs/dbraw/zinc/37/51/28/536375128.db2.gz DEPXHOYWEWSPHI-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000164452688 536375130 /nfs/dbraw/zinc/37/51/30/536375130.db2.gz DEPXHOYWEWSPHI-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP COc1ccc([C@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000263027454 536937400 /nfs/dbraw/zinc/93/74/00/536937400.db2.gz RNVBDKBNHVOQHE-OAHLLOKOSA-N 2 2 248.370 2.571 20 0 BFADLP COc1ccc([C@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000263027454 536937405 /nfs/dbraw/zinc/93/74/05/536937405.db2.gz RNVBDKBNHVOQHE-OAHLLOKOSA-N 2 2 248.370 2.571 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000167360638 566468433 /nfs/dbraw/zinc/46/84/33/566468433.db2.gz XMPQEQCURMZFDE-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000167360638 566468440 /nfs/dbraw/zinc/46/84/40/566468440.db2.gz XMPQEQCURMZFDE-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1ccc(NCc2[nH+]ccn2C2CC2)[nH+]c1 ZINC000892637393 582935559 /nfs/dbraw/zinc/93/55/59/582935559.db2.gz PDTWLNCJPOOLMV-UHFFFAOYSA-N 2 2 228.299 2.534 20 0 BFADLP CCCSC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000893355579 583120569 /nfs/dbraw/zinc/12/05/69/583120569.db2.gz GDKOCGWKZYGPOQ-CHWSQXEVSA-N 2 2 244.448 2.592 20 0 BFADLP CCCSC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000893355579 583120570 /nfs/dbraw/zinc/12/05/70/583120570.db2.gz GDKOCGWKZYGPOQ-CHWSQXEVSA-N 2 2 244.448 2.592 20 0 BFADLP Cc1ccccc1C(C)(C)C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894211240 583376953 /nfs/dbraw/zinc/37/69/53/583376953.db2.gz MLRYHHFLQPFQGL-UHFFFAOYSA-N 2 2 243.354 2.786 20 0 BFADLP c1[nH]c(C[NH2+]CC2(Cc3ccccc3)CC2)c[nH+]1 ZINC000894359020 583435705 /nfs/dbraw/zinc/43/57/05/583435705.db2.gz MIYITGVPFQHDGK-UHFFFAOYSA-N 2 2 241.338 2.522 20 0 BFADLP C[C@H]1c2sccc2CC[N@H+]1CCn1cc[nH+]c1 ZINC000880376899 583529809 /nfs/dbraw/zinc/52/98/09/583529809.db2.gz LEPQHYCKVMBDRY-NSHDSACASA-N 2 2 247.367 2.564 20 0 BFADLP C[C@H]1c2sccc2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000880376899 583529811 /nfs/dbraw/zinc/52/98/11/583529811.db2.gz LEPQHYCKVMBDRY-NSHDSACASA-N 2 2 247.367 2.564 20 0 BFADLP Cc1csc(C[NH2+]Cc2c(C)cc[nH+]c2N)c1 ZINC000894896024 583550404 /nfs/dbraw/zinc/55/04/04/583550404.db2.gz VRRVCMWXJWGCGX-UHFFFAOYSA-N 2 2 247.367 2.632 20 0 BFADLP CC1(C)CCC[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000894942654 583557240 /nfs/dbraw/zinc/55/72/40/583557240.db2.gz YPMUGQXTSZQWGZ-LLVKDONJSA-N 2 2 221.348 2.716 20 0 BFADLP CC1(C)CCC[C@H]1CC[NH2+]Cc1c[nH+]c[nH]1 ZINC000895387486 583663227 /nfs/dbraw/zinc/66/32/27/583663227.db2.gz CMNDGIDYSOFZFY-NSHDSACASA-N 2 2 221.348 2.716 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC000896403903 583800106 /nfs/dbraw/zinc/80/01/06/583800106.db2.gz MWGZKOFXYCQQAH-DMRZNYOFSA-N 2 2 244.382 2.957 20 0 BFADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H]2C)cc1C ZINC000896552822 583811140 /nfs/dbraw/zinc/81/11/40/583811140.db2.gz JNPPJGVJNDGBIA-HOCLYGCPSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)cc1C ZINC000896552822 583811141 /nfs/dbraw/zinc/81/11/41/583811141.db2.gz JNPPJGVJNDGBIA-HOCLYGCPSA-N 2 2 246.398 2.528 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)CC1 ZINC000019959626 583928412 /nfs/dbraw/zinc/92/84/12/583928412.db2.gz OWPFIDWQCVWXSJ-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)CC1 ZINC000019959626 583928416 /nfs/dbraw/zinc/92/84/16/583928416.db2.gz OWPFIDWQCVWXSJ-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP Clc1csc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000841032535 584031428 /nfs/dbraw/zinc/03/14/28/584031428.db2.gz GMEGDQHOTPHEML-JTQLQIEISA-N 2 2 244.791 2.633 20 0 BFADLP Clc1csc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000841032537 584031620 /nfs/dbraw/zinc/03/16/20/584031620.db2.gz GMEGDQHOTPHEML-SNVBAGLBSA-N 2 2 244.791 2.633 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC=CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000898223925 584102077 /nfs/dbraw/zinc/10/20/77/584102077.db2.gz JVYYWLAYEITYJP-UKTARXLSSA-N 2 2 234.387 2.556 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CC=CC[C@H]2C)C[N@H+]1C1CC1 ZINC000898223925 584102078 /nfs/dbraw/zinc/10/20/78/584102078.db2.gz JVYYWLAYEITYJP-UKTARXLSSA-N 2 2 234.387 2.556 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000898223924 584102195 /nfs/dbraw/zinc/10/21/95/584102195.db2.gz JVYYWLAYEITYJP-RGCMKSIDSA-N 2 2 234.387 2.556 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C)C[N@H+]1C1CC1 ZINC000898223924 584102198 /nfs/dbraw/zinc/10/21/98/584102198.db2.gz JVYYWLAYEITYJP-RGCMKSIDSA-N 2 2 234.387 2.556 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000898314531 584110925 /nfs/dbraw/zinc/11/09/25/584110925.db2.gz YYORHPMICKBQMF-GRYCIOLGSA-N 2 2 248.361 2.596 20 0 BFADLP Cc1ccc(CCC[NH2+]C/C=C/Cl)c[nH+]1 ZINC000898434458 584135655 /nfs/dbraw/zinc/13/56/55/584135655.db2.gz VUOKUUQLTHODIX-XVNBXDOJSA-N 2 2 224.735 2.665 20 0 BFADLP Cc1cc(N[C@@H]2CC[NH2+]CC(C)(C)C2)c[nH+]c1C ZINC000902402451 584587682 /nfs/dbraw/zinc/58/76/82/584587682.db2.gz LFKBVTIGYCMOBS-CYBMUJFWSA-N 2 2 247.386 2.889 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)c(Cl)c1 ZINC000902415494 584589619 /nfs/dbraw/zinc/58/96/19/584589619.db2.gz GKIAQGLYOTZHDE-MRVPVSSYSA-N 2 2 242.725 2.621 20 0 BFADLP CC(C)[C@H]1CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902429919 584594869 /nfs/dbraw/zinc/59/48/69/584594869.db2.gz BGPLVHRHGYBHKD-DTZQCDIJSA-N 2 2 244.382 2.635 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902429922 584595065 /nfs/dbraw/zinc/59/50/65/584595065.db2.gz BGPLVHRHGYBHKD-LCGIIJARSA-N 2 2 244.382 2.635 20 0 BFADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CCC1 ZINC000902435828 584596734 /nfs/dbraw/zinc/59/67/34/584596734.db2.gz VOBIIYAMRUWJQS-ARFHVFGLSA-N 2 2 244.382 2.779 20 0 BFADLP CC1(C)CCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435229 584596799 /nfs/dbraw/zinc/59/67/99/584596799.db2.gz AOFFUOMSIKJLRM-RBSFLKMASA-N 2 2 244.382 2.779 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438968 584597219 /nfs/dbraw/zinc/59/72/19/584597219.db2.gz PGFVSAYQWNXBKV-NWANDNLSSA-N 2 2 232.371 2.779 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)cs1 ZINC000902443233 584598459 /nfs/dbraw/zinc/59/84/59/584598459.db2.gz KSNUQHWDTVZVMA-ZYHUDNBSSA-N 2 2 238.400 2.705 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902445147 584598756 /nfs/dbraw/zinc/59/87/56/584598756.db2.gz KLBOMDBPDOSZQI-HUUCEWRRSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902445150 584598772 /nfs/dbraw/zinc/59/87/72/584598772.db2.gz KLBOMDBPDOSZQI-LSDHHAIUSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902473009 584601178 /nfs/dbraw/zinc/60/11/78/584601178.db2.gz OCXRAQRCMOLDDN-DMRZNYOFSA-N 2 2 244.382 2.847 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902472658 584601438 /nfs/dbraw/zinc/60/14/38/584601438.db2.gz DIYIGVJVCNTHCT-BJKJVOPESA-N 2 2 244.382 2.793 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448169 584604784 /nfs/dbraw/zinc/60/47/84/584604784.db2.gz DFYFDGMKUWRDCT-UGFHNGPFSA-N 2 2 244.382 2.508 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902447542 584605169 /nfs/dbraw/zinc/60/51/69/584605169.db2.gz ZDSOMDICESRVGU-KCPJHIHWSA-N 2 2 232.371 2.779 20 0 BFADLP CC1(C)C[NH2+]C[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000902449404 584606494 /nfs/dbraw/zinc/60/64/94/584606494.db2.gz OAOHXYFSJLAVMF-LSDHHAIUSA-N 2 2 244.382 2.725 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902464343 584612816 /nfs/dbraw/zinc/61/28/16/584612816.db2.gz BXCODZNVKFOXSP-AKUOKLNBSA-N 2 2 242.366 2.717 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(F)c1 ZINC000902464941 584613522 /nfs/dbraw/zinc/61/35/22/584613522.db2.gz FQYNWUJNJKJMRE-APIJFGDWSA-N 2 2 248.345 2.759 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465897 584613989 /nfs/dbraw/zinc/61/39/89/584613989.db2.gz GVKYHLZGAIJXTI-DDHJSBNISA-N 2 2 230.355 2.539 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(C)c1 ZINC000902467708 584615040 /nfs/dbraw/zinc/61/50/40/584615040.db2.gz RLZKPLQMRKAYBW-FXUDXRNXSA-N 2 2 244.382 2.929 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000902491302 584618268 /nfs/dbraw/zinc/61/82/68/584618268.db2.gz XGJTVCULGNSJJD-HIFRSBDPSA-N 2 2 232.371 2.869 20 0 BFADLP Cc1ccncc1[C@@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902484541 584624883 /nfs/dbraw/zinc/62/48/83/584624883.db2.gz WFBXWCCIOSTEDY-KGLIPLIRSA-N 2 2 247.386 2.573 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000902839240 584679768 /nfs/dbraw/zinc/67/97/68/584679768.db2.gz PEMAAZMRUODJOR-UXXRCYHCSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C[N@H+]1C1CC1 ZINC000902839240 584679769 /nfs/dbraw/zinc/67/97/69/584679769.db2.gz PEMAAZMRUODJOR-UXXRCYHCSA-N 2 2 248.414 2.780 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903055012 584721807 /nfs/dbraw/zinc/72/18/07/584721807.db2.gz VWWSXIGXRYRRJE-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903055012 584721809 /nfs/dbraw/zinc/72/18/09/584721809.db2.gz VWWSXIGXRYRRJE-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903055014 584721911 /nfs/dbraw/zinc/72/19/11/584721911.db2.gz VWWSXIGXRYRRJE-XGUBFFRZSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903055014 584721912 /nfs/dbraw/zinc/72/19/12/584721912.db2.gz VWWSXIGXRYRRJE-XGUBFFRZSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H](CC)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199509 584734680 /nfs/dbraw/zinc/73/46/80/584734680.db2.gz ZYZHXGBGFYMBFL-GFCCVEGCSA-N 2 2 235.375 2.816 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903199047 584734855 /nfs/dbraw/zinc/73/48/55/584734855.db2.gz SHBDHRSZABLMRS-LBPRGKRZSA-N 2 2 247.386 2.816 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903198847 584734910 /nfs/dbraw/zinc/73/49/10/584734910.db2.gz PYJKDHOUUARORD-LSDHHAIUSA-N 2 2 247.386 2.672 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H]1C)c1cccnc1 ZINC000903301648 584744675 /nfs/dbraw/zinc/74/46/75/584744675.db2.gz TZKCZHAVYYVKOU-QEJZJMRPSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H]1C)c1cccnc1 ZINC000903301648 584744676 /nfs/dbraw/zinc/74/46/76/584744676.db2.gz TZKCZHAVYYVKOU-QEJZJMRPSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]1C)c1cccnc1 ZINC000903301647 584745113 /nfs/dbraw/zinc/74/51/13/584745113.db2.gz TZKCZHAVYYVKOU-CFVMTHIKSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)c1cccnc1 ZINC000903301647 584745114 /nfs/dbraw/zinc/74/51/14/584745114.db2.gz TZKCZHAVYYVKOU-CFVMTHIKSA-N 2 2 247.386 2.605 20 0 BFADLP CCCCC1([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000903311624 584748258 /nfs/dbraw/zinc/74/82/58/584748258.db2.gz QRZMZHOXAZTLKI-CHWSQXEVSA-N 2 2 236.403 2.924 20 0 BFADLP CCCCC1([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000903311624 584748260 /nfs/dbraw/zinc/74/82/60/584748260.db2.gz QRZMZHOXAZTLKI-CHWSQXEVSA-N 2 2 236.403 2.924 20 0 BFADLP C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000903314525 584748656 /nfs/dbraw/zinc/74/86/56/584748656.db2.gz AEQIZJNCWGCEMF-DGADGQDISA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000903314525 584748657 /nfs/dbraw/zinc/74/86/57/584748657.db2.gz AEQIZJNCWGCEMF-DGADGQDISA-N 2 2 248.414 2.782 20 0 BFADLP C[N@H+](CC[NH3+])Cc1cc(Cl)cc2ccccc21 ZINC000903459043 584766133 /nfs/dbraw/zinc/76/61/33/584766133.db2.gz QOUGPIAYIYWIHJ-UHFFFAOYSA-N 2 2 248.757 2.884 20 0 BFADLP C[N@@H+](CC[NH3+])Cc1cc(Cl)cc2ccccc21 ZINC000903459043 584766134 /nfs/dbraw/zinc/76/61/34/584766134.db2.gz QOUGPIAYIYWIHJ-UHFFFAOYSA-N 2 2 248.757 2.884 20 0 BFADLP CCc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000903472988 584776342 /nfs/dbraw/zinc/77/63/42/584776342.db2.gz YKYGGHLGFQWEDE-OAHLLOKOSA-N 2 2 244.382 2.623 20 0 BFADLP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903481533 584777913 /nfs/dbraw/zinc/77/79/13/584777913.db2.gz FHHACRMAKVUBOE-ZENOOKHLSA-N 2 2 242.366 2.673 20 0 BFADLP c1ccc2c(c1)[C@H]1CC[C@@H]2[N@@H+](C[C@H]2CCC[NH2+]2)C1 ZINC000903481533 584777915 /nfs/dbraw/zinc/77/79/15/584777915.db2.gz FHHACRMAKVUBOE-ZENOOKHLSA-N 2 2 242.366 2.673 20 0 BFADLP CC(C)c1ccccc1C[N@H+](C)[C@H](C)C[NH3+] ZINC000903716824 584791905 /nfs/dbraw/zinc/79/19/05/584791905.db2.gz UEOPLQOCLPFLLQ-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccccc1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000903716824 584791907 /nfs/dbraw/zinc/79/19/07/584791907.db2.gz UEOPLQOCLPFLLQ-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000903753397 584796174 /nfs/dbraw/zinc/79/61/74/584796174.db2.gz VAMICQPDNQUBNQ-WFASDCNBSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000903753397 584796175 /nfs/dbraw/zinc/79/61/75/584796175.db2.gz VAMICQPDNQUBNQ-WFASDCNBSA-N 2 2 232.371 2.732 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccccc1C(C)C ZINC000903770113 584797864 /nfs/dbraw/zinc/79/78/64/584797864.db2.gz SSNZVNJDQQIUDH-UHFFFAOYSA-N 2 2 220.360 2.591 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccccc1C(C)C ZINC000903770113 584797866 /nfs/dbraw/zinc/79/78/66/584797866.db2.gz SSNZVNJDQQIUDH-UHFFFAOYSA-N 2 2 220.360 2.591 20 0 BFADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1cccc(F)c1 ZINC000903795655 584801182 /nfs/dbraw/zinc/80/11/82/584801182.db2.gz OETXOXYBMXQANH-ZFWWWQNUSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2Cc1cccc(F)c1 ZINC000903795655 584801183 /nfs/dbraw/zinc/80/11/83/584801183.db2.gz OETXOXYBMXQANH-ZFWWWQNUSA-N 2 2 248.345 2.529 20 0 BFADLP CC(F)(F)CCC[N@@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806667 584802830 /nfs/dbraw/zinc/80/28/30/584802830.db2.gz ZRHSEXQGGOZKTF-DGCLKSJQSA-N 2 2 246.345 2.625 20 0 BFADLP CC(F)(F)CCC[N@H+]1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903806667 584802832 /nfs/dbraw/zinc/80/28/32/584802832.db2.gz ZRHSEXQGGOZKTF-DGCLKSJQSA-N 2 2 246.345 2.625 20 0 BFADLP CCc1ccccc1C[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869911 584814683 /nfs/dbraw/zinc/81/46/83/584814683.db2.gz KRRZNCWQUFGIEU-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1ccccc1C[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903869911 584814684 /nfs/dbraw/zinc/81/46/84/584814684.db2.gz KRRZNCWQUFGIEU-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cc2ccccc2s1 ZINC000903960258 584827656 /nfs/dbraw/zinc/82/76/56/584827656.db2.gz BCHCERHJLZWEED-ZWNOBZJWSA-N 2 2 246.379 2.599 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000903960787 584828250 /nfs/dbraw/zinc/82/82/50/584828250.db2.gz ZMORSFZMVIRUBS-ZWNOBZJWSA-N 2 2 246.379 2.599 20 0 BFADLP CCc1ccc(C[NH2+]Cc2cc(N)cc[nH+]2)s1 ZINC000903949867 584830462 /nfs/dbraw/zinc/83/04/62/584830462.db2.gz FXTROISPIKQHMG-UHFFFAOYSA-N 2 2 247.367 2.578 20 0 BFADLP C[C@H]1CC([NH2+]Cc2cc(N)cc[nH+]2)C[C@H](C)C1 ZINC000903951309 584830577 /nfs/dbraw/zinc/83/05/77/584830577.db2.gz VPOZIZPNKSSHQU-GHMZBOCLSA-N 2 2 233.359 2.578 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903951253 584830668 /nfs/dbraw/zinc/83/06/68/584830668.db2.gz VGTULUYCNAZCCX-BXUZGUMPSA-N 2 2 247.386 2.968 20 0 BFADLP Nc1cc[nH+]c(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000903950441 584830745 /nfs/dbraw/zinc/83/07/45/584830745.db2.gz NVTQNYBEGQIXHY-HUUCEWRRSA-N 2 2 245.370 2.722 20 0 BFADLP CCCCC[C@@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950073 584830985 /nfs/dbraw/zinc/83/09/85/584830985.db2.gz HUSZIJMCSDHCOO-LLVKDONJSA-N 2 2 221.348 2.722 20 0 BFADLP CCc1ccc(C[NH2+]Cc2cc(N)cc[nH+]2)cc1 ZINC000903950976 584830992 /nfs/dbraw/zinc/83/09/92/584830992.db2.gz UQIBEBASBABXIN-UHFFFAOYSA-N 2 2 241.338 2.516 20 0 BFADLP Cc1cccc(C)c1C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950947 584831017 /nfs/dbraw/zinc/83/10/17/584831017.db2.gz UDVJRCXBSUEFLC-UHFFFAOYSA-N 2 2 241.338 2.570 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)C[C@H]1C ZINC000903954103 584831845 /nfs/dbraw/zinc/83/18/45/584831845.db2.gz QCEQUOXSKQVKCO-WZRBSPASSA-N 2 2 233.359 2.578 20 0 BFADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904299657 584860605 /nfs/dbraw/zinc/86/06/05/584860605.db2.gz LAOGFANKHRXLIF-MRVPVSSYSA-N 2 2 246.276 2.542 20 0 BFADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904299657 584860606 /nfs/dbraw/zinc/86/06/06/584860606.db2.gz LAOGFANKHRXLIF-MRVPVSSYSA-N 2 2 246.276 2.542 20 0 BFADLP CC(C)(C)CC[C@H]([NH3+])C[NH+]1CCC(F)(F)CC1 ZINC000904337463 584863502 /nfs/dbraw/zinc/86/35/02/584863502.db2.gz ZQHDUZDWAYCNHM-NSHDSACASA-N 2 2 248.361 2.871 20 0 BFADLP Cc1cc(NC[C@]2(C)CCC[NH2+]C2)c[nH+]c1C ZINC000904386153 584877882 /nfs/dbraw/zinc/87/78/82/584877882.db2.gz QPRKSDUKXZARAT-CQSZACIVSA-N 2 2 233.359 2.500 20 0 BFADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000877019904 584888750 /nfs/dbraw/zinc/88/87/50/584888750.db2.gz UELCYCKIXDZCSQ-OAHLLOKOSA-N 2 2 234.387 2.703 20 0 BFADLP C[N@H+]1CC[C@@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000877019904 584888753 /nfs/dbraw/zinc/88/87/53/584888753.db2.gz UELCYCKIXDZCSQ-OAHLLOKOSA-N 2 2 234.387 2.703 20 0 BFADLP C[C@@H]([NH2+]CC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393624 585125736 /nfs/dbraw/zinc/12/57/36/585125736.db2.gz ZDVUHQMFYGYWSP-GFCCVEGCSA-N 2 2 241.338 2.933 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000746049659 585162760 /nfs/dbraw/zinc/16/27/60/585162760.db2.gz UPAFVSUJENDJFF-ZIAGYGMSSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC000746049659 585162761 /nfs/dbraw/zinc/16/27/61/585162761.db2.gz UPAFVSUJENDJFF-ZIAGYGMSSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCF)C1 ZINC000759341756 585369224 /nfs/dbraw/zinc/36/92/24/585369224.db2.gz KVOIJSBQJVULSX-ZIAGYGMSSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCF)C1 ZINC000759341756 585369225 /nfs/dbraw/zinc/36/92/25/585369225.db2.gz KVOIJSBQJVULSX-ZIAGYGMSSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCF)C1 ZINC000759341756 585369226 /nfs/dbraw/zinc/36/92/26/585369226.db2.gz KVOIJSBQJVULSX-ZIAGYGMSSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCF)C1 ZINC000759341756 585369227 /nfs/dbraw/zinc/36/92/27/585369227.db2.gz KVOIJSBQJVULSX-ZIAGYGMSSA-N 2 2 242.382 2.542 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@H+]1C ZINC000765333412 585483916 /nfs/dbraw/zinc/48/39/16/585483916.db2.gz UWVNNAKYWNXXEY-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000765333412 585483917 /nfs/dbraw/zinc/48/39/17/585483917.db2.gz UWVNNAKYWNXXEY-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@H+]1C ZINC000765333401 585484056 /nfs/dbraw/zinc/48/40/56/585484056.db2.gz UWVNNAKYWNXXEY-GDBMZVCRSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000765333401 585484057 /nfs/dbraw/zinc/48/40/57/585484057.db2.gz UWVNNAKYWNXXEY-GDBMZVCRSA-N 2 2 244.382 2.666 20 0 BFADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000765683110 585491946 /nfs/dbraw/zinc/49/19/46/585491946.db2.gz DPCHHTONSIHAGL-HZPDHXFCSA-N 2 2 246.398 2.692 20 0 BFADLP CCC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000765683110 585491947 /nfs/dbraw/zinc/49/19/47/585491947.db2.gz DPCHHTONSIHAGL-HZPDHXFCSA-N 2 2 246.398 2.692 20 0 BFADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000765683112 585491972 /nfs/dbraw/zinc/49/19/72/585491972.db2.gz DPCHHTONSIHAGL-JKSUJKDBSA-N 2 2 246.398 2.692 20 0 BFADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000765683112 585491973 /nfs/dbraw/zinc/49/19/73/585491973.db2.gz DPCHHTONSIHAGL-JKSUJKDBSA-N 2 2 246.398 2.692 20 0 BFADLP CC(C)CCCC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000766121924 585497718 /nfs/dbraw/zinc/49/77/18/585497718.db2.gz RCWLPDSWUCKUJI-ZFWWWQNUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CCCC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000766121924 585497719 /nfs/dbraw/zinc/49/77/19/585497719.db2.gz RCWLPDSWUCKUJI-ZFWWWQNUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@@H](C[NH2+]C1CC(C(F)F)C1)[NH+](C)C ZINC000768675324 585541655 /nfs/dbraw/zinc/54/16/55/585541655.db2.gz JEFPHCCMLVZCHP-MCIGGMRASA-N 2 2 248.361 2.596 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000775047856 585670845 /nfs/dbraw/zinc/67/08/45/585670845.db2.gz DYLPAMAZLJWTMG-HUUCEWRRSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC000775047856 585670846 /nfs/dbraw/zinc/67/08/46/585670846.db2.gz DYLPAMAZLJWTMG-HUUCEWRRSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@@H](C[NH2+][C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000776350389 585696227 /nfs/dbraw/zinc/69/62/27/585696227.db2.gz JQLVNZBRYHKPCW-HOTGVXAUSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000776350389 585696228 /nfs/dbraw/zinc/69/62/28/585696228.db2.gz JQLVNZBRYHKPCW-HOTGVXAUSA-N 2 2 246.398 2.864 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CCCCCCC1)CC2 ZINC000779067271 585744522 /nfs/dbraw/zinc/74/45/22/585744522.db2.gz SSPQNXDWVSZKNS-CQSZACIVSA-N 2 2 247.386 2.900 20 0 BFADLP CCCCC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000779064217 585744613 /nfs/dbraw/zinc/74/46/13/585744613.db2.gz HDZSBGRPHGPCCV-OLZOCXBDSA-N 2 2 235.375 2.756 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000783215541 585830969 /nfs/dbraw/zinc/83/09/69/585830969.db2.gz OOWIQQHQBYZRHG-KBMXLJTQSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000800973175 586238344 /nfs/dbraw/zinc/23/83/44/586238344.db2.gz VDKQQCSMXHCRII-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000800973175 586238345 /nfs/dbraw/zinc/23/83/45/586238345.db2.gz VDKQQCSMXHCRII-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000806169126 586406774 /nfs/dbraw/zinc/40/67/74/586406774.db2.gz BBVQNIIODRMUOG-ZQDZILKHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000815575785 586687860 /nfs/dbraw/zinc/68/78/60/586687860.db2.gz AIAVVJVDFGGGOK-WBMJQRKESA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000815575785 586687862 /nfs/dbraw/zinc/68/78/62/586687862.db2.gz AIAVVJVDFGGGOK-WBMJQRKESA-N 2 2 244.382 2.919 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1csc2ccccc12 ZINC000817901366 586835970 /nfs/dbraw/zinc/83/59/70/586835970.db2.gz ZPOGYZLDHCPYBV-QWRGUYRKSA-N 2 2 246.379 2.914 20 0 BFADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000817940774 586845066 /nfs/dbraw/zinc/84/50/66/586845066.db2.gz KPBRBNFGCQPNMP-AAEUAGOBSA-N 2 2 236.334 2.537 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000817945788 586846057 /nfs/dbraw/zinc/84/60/57/586846057.db2.gz LWYFSTUXWBYNPG-ZBFHGGJFSA-N 2 2 244.382 2.714 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000817972484 586858794 /nfs/dbraw/zinc/85/87/94/586858794.db2.gz LRSPRIQEERTLIM-IUODEOHRSA-N 2 2 232.371 2.570 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000824097621 587255243 /nfs/dbraw/zinc/25/52/43/587255243.db2.gz AMBRFBKVTFQVCV-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000824097621 587255244 /nfs/dbraw/zinc/25/52/44/587255244.db2.gz AMBRFBKVTFQVCV-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000824097633 587255367 /nfs/dbraw/zinc/25/53/67/587255367.db2.gz AVPOVNHVLJMFIL-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000824097633 587255368 /nfs/dbraw/zinc/25/53/68/587255368.db2.gz AVPOVNHVLJMFIL-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[NH+](C)C ZINC000824988294 587297215 /nfs/dbraw/zinc/29/72/15/587297215.db2.gz JCMJTGFLOVZTOV-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccoc1 ZINC000827229447 587373413 /nfs/dbraw/zinc/37/34/13/587373413.db2.gz FBJVYQHWHMCSIA-UHFFFAOYSA-N 2 2 244.338 2.748 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC2=CCCC2)C1 ZINC000828440062 587442385 /nfs/dbraw/zinc/44/23/85/587442385.db2.gz NBFLUOFFVZLTFZ-CQSZACIVSA-N 2 2 245.370 2.710 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC2=CCCC2)C1 ZINC000828440062 587442387 /nfs/dbraw/zinc/44/23/87/587442387.db2.gz NBFLUOFFVZLTFZ-CQSZACIVSA-N 2 2 245.370 2.710 20 0 BFADLP CCCCCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841080561 587944814 /nfs/dbraw/zinc/94/48/14/587944814.db2.gz WAWKIQYDSILAEI-AGIUHOORSA-N 2 2 230.371 2.635 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000842684764 588052140 /nfs/dbraw/zinc/05/21/40/588052140.db2.gz KQUMZNRKEGTAMY-LLVKDONJSA-N 2 2 246.345 2.638 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCC(F)(F)CC1 ZINC000842684764 588052141 /nfs/dbraw/zinc/05/21/41/588052141.db2.gz KQUMZNRKEGTAMY-LLVKDONJSA-N 2 2 246.345 2.638 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC[C@@H]3C)cn21 ZINC000842934168 588072483 /nfs/dbraw/zinc/07/24/83/588072483.db2.gz UPKZFSBGCGQBQX-FZMZJTMJSA-N 2 2 243.354 2.573 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H]3CC[C@@H]3C)cn21 ZINC000842934170 588072498 /nfs/dbraw/zinc/07/24/98/588072498.db2.gz UPKZFSBGCGQBQX-SMDDNHRTSA-N 2 2 243.354 2.573 20 0 BFADLP CC(C)c1ccccc1C[NH2+]CCn1cc[nH+]c1 ZINC000848526363 588393313 /nfs/dbraw/zinc/39/33/13/588393313.db2.gz XYDFIOXYRREGLG-UHFFFAOYSA-N 2 2 243.354 2.796 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000850481968 588551561 /nfs/dbraw/zinc/55/15/61/588551561.db2.gz PIWPZQKSZFARHQ-HZSPNIEDSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000850481968 588551563 /nfs/dbraw/zinc/55/15/63/588551563.db2.gz PIWPZQKSZFARHQ-HZSPNIEDSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850493464 588552242 /nfs/dbraw/zinc/55/22/42/588552242.db2.gz IZNNXSNXHSESSN-HZSPNIEDSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000850493464 588552243 /nfs/dbraw/zinc/55/22/43/588552243.db2.gz IZNNXSNXHSESSN-HZSPNIEDSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000863652533 589307725 /nfs/dbraw/zinc/30/77/25/589307725.db2.gz UJNSEGOIAIUUEO-NSHDSACASA-N 2 2 240.778 2.736 20 0 BFADLP Cc1cc(Cl)cc(C)c1C[N@H+](C)C[C@H](C)[NH3+] ZINC000863652533 589307726 /nfs/dbraw/zinc/30/77/26/589307726.db2.gz UJNSEGOIAIUUEO-NSHDSACASA-N 2 2 240.778 2.736 20 0 BFADLP C[NH2+]CCc1ccc(-c2cc[nH+]c(C)c2)cc1 ZINC000863693115 589310735 /nfs/dbraw/zinc/31/07/35/589310735.db2.gz BRTCFLLAXUDTIT-UHFFFAOYSA-N 2 2 226.323 2.819 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866723058 589514930 /nfs/dbraw/zinc/51/49/30/589514930.db2.gz FVQRECPPTMROGA-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)c1 ZINC000866723058 589514932 /nfs/dbraw/zinc/51/49/32/589514932.db2.gz FVQRECPPTMROGA-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000123279170 589685034 /nfs/dbraw/zinc/68/50/34/589685034.db2.gz RGWRSBYVHWIJCE-LBPRGKRZSA-N 2 2 244.338 2.535 20 0 BFADLP Cc1oc2ccccc2c1C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000123279170 589685035 /nfs/dbraw/zinc/68/50/35/589685035.db2.gz RGWRSBYVHWIJCE-LBPRGKRZSA-N 2 2 244.338 2.535 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229218 590001151 /nfs/dbraw/zinc/00/11/51/590001151.db2.gz PNUHBIDMXSRYHI-CVEARBPZSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)cc1F ZINC000873229560 590001940 /nfs/dbraw/zinc/00/19/40/590001940.db2.gz BXTXHBRFHBPLSL-HUUCEWRRSA-N 2 2 248.345 2.508 20 0 BFADLP Cc1cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)ccc1F ZINC000873230835 590003133 /nfs/dbraw/zinc/00/31/33/590003133.db2.gz YOFHGRFMLGAQQZ-CABCVRRESA-N 2 2 248.345 2.508 20 0 BFADLP CCCCC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000020127065 590075869 /nfs/dbraw/zinc/07/58/69/590075869.db2.gz BVOANPKVQNYUKH-ZDUSSCGKSA-N 2 2 212.381 2.641 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020201830 590084660 /nfs/dbraw/zinc/08/46/60/590084660.db2.gz RCHOQAMTTHAUHZ-OLZOCXBDSA-N 2 2 214.397 2.598 20 0 BFADLP CCCCC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506096 590117041 /nfs/dbraw/zinc/11/70/41/590117041.db2.gz QFGBDJXJRTZZKF-ZDUSSCGKSA-N 2 2 223.364 2.832 20 0 BFADLP c1[nH+]c(SCC[NH+]2CCCC2)n2ccccc12 ZINC000875345446 590163042 /nfs/dbraw/zinc/16/30/42/590163042.db2.gz HDPLIOOMZIPAAC-UHFFFAOYSA-N 2 2 247.367 2.522 20 0 BFADLP C[C@H]1CC[N@H+](CCCC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000878284918 590533138 /nfs/dbraw/zinc/53/31/38/590533138.db2.gz WWWNLMHLLOPHAA-DZGCQCFKSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1CC[N@@H+](CCCC2CC2)C[C@H]1n1cc[nH+]c1 ZINC000878284918 590533140 /nfs/dbraw/zinc/53/31/40/590533140.db2.gz WWWNLMHLLOPHAA-DZGCQCFKSA-N 2 2 247.386 2.956 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCCC2CC2)C1 ZINC000878517076 590585439 /nfs/dbraw/zinc/58/54/39/590585439.db2.gz ABTQDMDGECAUCA-AWEZNQCLSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000878517076 590585440 /nfs/dbraw/zinc/58/54/40/590585440.db2.gz ABTQDMDGECAUCA-AWEZNQCLSA-N 2 2 247.386 2.790 20 0 BFADLP CCC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880131163 590931888 /nfs/dbraw/zinc/93/18/88/590931888.db2.gz HRVUYOBGTRTPFL-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880131163 590931889 /nfs/dbraw/zinc/93/18/89/590931889.db2.gz HRVUYOBGTRTPFL-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880131163 590931895 /nfs/dbraw/zinc/93/18/95/590931895.db2.gz HRVUYOBGTRTPFL-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880131163 590931897 /nfs/dbraw/zinc/93/18/97/590931897.db2.gz HRVUYOBGTRTPFL-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880130273 590931992 /nfs/dbraw/zinc/93/19/92/590931992.db2.gz NZIGJEGDFIAIRH-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880130273 590931994 /nfs/dbraw/zinc/93/19/94/590931994.db2.gz NZIGJEGDFIAIRH-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880130273 590931997 /nfs/dbraw/zinc/93/19/97/590931997.db2.gz NZIGJEGDFIAIRH-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880130273 590932000 /nfs/dbraw/zinc/93/20/00/590932000.db2.gz NZIGJEGDFIAIRH-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000880133018 590934055 /nfs/dbraw/zinc/93/40/55/590934055.db2.gz YVOBXXLKZHXHJR-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000880133018 590934056 /nfs/dbraw/zinc/93/40/56/590934056.db2.gz YVOBXXLKZHXHJR-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880133018 590934058 /nfs/dbraw/zinc/93/40/58/590934058.db2.gz YVOBXXLKZHXHJR-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)c1 ZINC000880133018 590934059 /nfs/dbraw/zinc/93/40/59/590934059.db2.gz YVOBXXLKZHXHJR-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880135824 590936088 /nfs/dbraw/zinc/93/60/88/590936088.db2.gz ATNCJARVBQANHD-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880135824 590936091 /nfs/dbraw/zinc/93/60/91/590936091.db2.gz ATNCJARVBQANHD-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880135824 590936094 /nfs/dbraw/zinc/93/60/94/590936094.db2.gz ATNCJARVBQANHD-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880135824 590936095 /nfs/dbraw/zinc/93/60/95/590936095.db2.gz ATNCJARVBQANHD-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880142572 590936587 /nfs/dbraw/zinc/93/65/87/590936587.db2.gz QMJHPXUSLCXTAR-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880142572 590936590 /nfs/dbraw/zinc/93/65/90/590936590.db2.gz QMJHPXUSLCXTAR-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880142572 590936594 /nfs/dbraw/zinc/93/65/94/590936594.db2.gz QMJHPXUSLCXTAR-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880142572 590936596 /nfs/dbraw/zinc/93/65/96/590936596.db2.gz QMJHPXUSLCXTAR-UONOGXRCSA-N 2 2 224.392 2.591 20 0 BFADLP CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880134173 590937821 /nfs/dbraw/zinc/93/78/21/590937821.db2.gz RRXGIMWPSQFOFZ-KBPBESRZSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880134173 590937823 /nfs/dbraw/zinc/93/78/23/590937823.db2.gz RRXGIMWPSQFOFZ-KBPBESRZSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880134173 590937825 /nfs/dbraw/zinc/93/78/25/590937825.db2.gz RRXGIMWPSQFOFZ-KBPBESRZSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880134173 590937827 /nfs/dbraw/zinc/93/78/27/590937827.db2.gz RRXGIMWPSQFOFZ-KBPBESRZSA-N 2 2 224.392 2.735 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC12CCC(CC1)C2 ZINC000880142318 590941985 /nfs/dbraw/zinc/94/19/85/590941985.db2.gz NABZDSOXNNJJPW-PYBGIAKNSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC12CCC(CC1)C2 ZINC000880142318 590941988 /nfs/dbraw/zinc/94/19/88/590941988.db2.gz NABZDSOXNNJJPW-PYBGIAKNSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC12CCC(CC1)C2 ZINC000880142318 590941992 /nfs/dbraw/zinc/94/19/92/590941992.db2.gz NABZDSOXNNJJPW-PYBGIAKNSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC12CCC(CC1)C2 ZINC000880142318 590941995 /nfs/dbraw/zinc/94/19/95/590941995.db2.gz NABZDSOXNNJJPW-PYBGIAKNSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000880142538 590943181 /nfs/dbraw/zinc/94/31/81/590943181.db2.gz QBHVEGGZGJFRFH-DGADGQDISA-N 2 2 248.414 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000880142538 590943183 /nfs/dbraw/zinc/94/31/83/590943183.db2.gz QBHVEGGZGJFRFH-DGADGQDISA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000880142538 590943184 /nfs/dbraw/zinc/94/31/84/590943184.db2.gz QBHVEGGZGJFRFH-DGADGQDISA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000880142538 590943186 /nfs/dbraw/zinc/94/31/86/590943186.db2.gz QBHVEGGZGJFRFH-DGADGQDISA-N 2 2 248.414 2.591 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880142570 590943391 /nfs/dbraw/zinc/94/33/91/590943391.db2.gz QMJHPXUSLCXTAR-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880142570 590943393 /nfs/dbraw/zinc/94/33/93/590943393.db2.gz QMJHPXUSLCXTAR-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880142570 590943396 /nfs/dbraw/zinc/94/33/96/590943396.db2.gz QMJHPXUSLCXTAR-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880142570 590943398 /nfs/dbraw/zinc/94/33/98/590943398.db2.gz QMJHPXUSLCXTAR-KBPBESRZSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1)Cn1cc[nH+]c1 ZINC000882934317 591476728 /nfs/dbraw/zinc/47/67/28/591476728.db2.gz FEDJBWYKGUQRIZ-XQLPTFJDSA-N 2 2 247.386 2.688 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883193981 591569209 /nfs/dbraw/zinc/56/92/09/591569209.db2.gz KPGSFQLEZWJJRY-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883193981 591569212 /nfs/dbraw/zinc/56/92/12/591569212.db2.gz KPGSFQLEZWJJRY-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000883249748 591590590 /nfs/dbraw/zinc/59/05/90/591590590.db2.gz PLEMZVDLHUBOOS-TZMCWYRMSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2(CC3CC3)CC2)C[N@H+]1C1CC1 ZINC000883249748 591590593 /nfs/dbraw/zinc/59/05/93/591590593.db2.gz PLEMZVDLHUBOOS-TZMCWYRMSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253594 591594071 /nfs/dbraw/zinc/59/40/71/591594071.db2.gz WPKVKGKMTNMUAY-DOMZBBRYSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253594 591594074 /nfs/dbraw/zinc/59/40/74/591594074.db2.gz WPKVKGKMTNMUAY-DOMZBBRYSA-N 2 2 248.414 2.639 20 0 BFADLP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c[nH+]c1C ZINC000883341838 591619675 /nfs/dbraw/zinc/61/96/75/591619675.db2.gz AZISWIMTLYRPJT-LQDVMPOASA-N 2 2 245.370 2.736 20 0 BFADLP Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c[nH+]c1C ZINC000883341838 591619679 /nfs/dbraw/zinc/61/96/79/591619679.db2.gz AZISWIMTLYRPJT-LQDVMPOASA-N 2 2 245.370 2.736 20 0 BFADLP Cc1cc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c[nH+]c1C ZINC000883342666 591621899 /nfs/dbraw/zinc/62/18/99/591621899.db2.gz HOJSXHIGNLGSPI-CYBMUJFWSA-N 2 2 247.386 2.983 20 0 BFADLP Cc1cc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c[nH+]c1C ZINC000883342666 591621901 /nfs/dbraw/zinc/62/19/01/591621901.db2.gz HOJSXHIGNLGSPI-CYBMUJFWSA-N 2 2 247.386 2.983 20 0 BFADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@@H](C)CCC=C(C)C ZINC000883354467 591624809 /nfs/dbraw/zinc/62/48/09/591624809.db2.gz VRBGKSDSLUJSQE-UONOGXRCSA-N 2 2 224.392 2.805 20 0 BFADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@@H](C)CCC=C(C)C ZINC000883354467 591624810 /nfs/dbraw/zinc/62/48/10/591624810.db2.gz VRBGKSDSLUJSQE-UONOGXRCSA-N 2 2 224.392 2.805 20 0 BFADLP CCC(F)(F)C[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000883438899 591667617 /nfs/dbraw/zinc/66/76/17/591667617.db2.gz FLPTXPYJCFXMHT-LBPRGKRZSA-N 2 2 248.361 2.729 20 0 BFADLP CCC(F)(F)C[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000883438899 591667620 /nfs/dbraw/zinc/66/76/20/591667620.db2.gz FLPTXPYJCFXMHT-LBPRGKRZSA-N 2 2 248.361 2.729 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000132487282 591712791 /nfs/dbraw/zinc/71/27/91/591712791.db2.gz ICDIMQUXGHJWQZ-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885937664 592111085 /nfs/dbraw/zinc/11/10/85/592111085.db2.gz GJAQGXLDBJYQKM-VFQAQYNWSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]C/C=C/c2cccc(F)c2)C1 ZINC000885937664 592111086 /nfs/dbraw/zinc/11/10/86/592111086.db2.gz GJAQGXLDBJYQKM-VFQAQYNWSA-N 2 2 248.345 2.523 20 0 BFADLP Cc1coc(C[NH2+]CCc2cc[nH+]cc2C)c1 ZINC000886046884 592140140 /nfs/dbraw/zinc/14/01/40/592140140.db2.gz RQPNENBLPJOYCK-UHFFFAOYSA-N 2 2 230.311 2.624 20 0 BFADLP Cc1coc(C[NH2+]CCC[N@@H+](C)CC(C)C)c1 ZINC000886153505 592164910 /nfs/dbraw/zinc/16/49/10/592164910.db2.gz ILOZFKKIGYPXGO-UHFFFAOYSA-N 2 2 238.375 2.656 20 0 BFADLP Cc1coc(C[NH2+]CCC[N@H+](C)CC(C)C)c1 ZINC000886153505 592164912 /nfs/dbraw/zinc/16/49/12/592164912.db2.gz ILOZFKKIGYPXGO-UHFFFAOYSA-N 2 2 238.375 2.656 20 0 BFADLP CC[N@@H+]1CC[C@@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC000886188156 592172604 /nfs/dbraw/zinc/17/26/04/592172604.db2.gz LZBZQQFROMBGMO-ZDTYVGOBSA-N 2 2 248.345 2.523 20 0 BFADLP CC[N@H+]1CC[C@@H]1C[NH2+]C/C=C\c1cccc(F)c1 ZINC000886188156 592172605 /nfs/dbraw/zinc/17/26/05/592172605.db2.gz LZBZQQFROMBGMO-ZDTYVGOBSA-N 2 2 248.345 2.523 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC=CCC1 ZINC000886813732 592334785 /nfs/dbraw/zinc/33/47/85/592334785.db2.gz UFGGTKLYEMVYSI-WFASDCNBSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC=CCC1 ZINC000886813732 592334789 /nfs/dbraw/zinc/33/47/89/592334789.db2.gz UFGGTKLYEMVYSI-WFASDCNBSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC=CCC1 ZINC000886813730 592336110 /nfs/dbraw/zinc/33/61/10/592336110.db2.gz UFGGTKLYEMVYSI-IUODEOHRSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC=CCC1 ZINC000886813730 592336115 /nfs/dbraw/zinc/33/61/15/592336115.db2.gz UFGGTKLYEMVYSI-IUODEOHRSA-N 2 2 234.387 2.558 20 0 BFADLP C[N@H+](CCCF)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000887139955 592455302 /nfs/dbraw/zinc/45/53/02/592455302.db2.gz LBPJASGHEFVJQI-UHFFFAOYSA-N 2 2 247.317 2.664 20 0 BFADLP C[N@@H+](CCCF)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000887139955 592455306 /nfs/dbraw/zinc/45/53/06/592455306.db2.gz LBPJASGHEFVJQI-UHFFFAOYSA-N 2 2 247.317 2.664 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257696456 634468745 /nfs/dbraw/zinc/46/87/45/634468745.db2.gz KGMBAQHOJOCBDI-GDBMZVCRSA-N 2 2 244.382 2.966 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257696456 634468748 /nfs/dbraw/zinc/46/87/48/634468748.db2.gz KGMBAQHOJOCBDI-GDBMZVCRSA-N 2 2 244.382 2.966 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c(C)c1 ZINC000257712296 634477332 /nfs/dbraw/zinc/47/73/32/634477332.db2.gz TWWDLOQRLZNSJF-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c(C)c1 ZINC000257712296 634477335 /nfs/dbraw/zinc/47/73/35/634477335.db2.gz TWWDLOQRLZNSJF-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP C[C@H](C[NH2+][C@H](C1CC1)C(C)(C)C)[N@H+](C)C1CC1 ZINC000924965581 635813085 /nfs/dbraw/zinc/81/30/85/635813085.db2.gz ANZXNIMVDPAUIW-BXUZGUMPSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H](C1CC1)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000924965581 635813091 /nfs/dbraw/zinc/81/30/91/635813091.db2.gz ANZXNIMVDPAUIW-BXUZGUMPSA-N 2 2 238.419 2.883 20 0 BFADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000926550183 632481381 /nfs/dbraw/zinc/48/13/81/632481381.db2.gz MJPHSSUWBVPWMN-CAOSSQGBSA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000926550183 632481384 /nfs/dbraw/zinc/48/13/84/632481384.db2.gz MJPHSSUWBVPWMN-CAOSSQGBSA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000926550190 632481555 /nfs/dbraw/zinc/48/15/55/632481555.db2.gz MJPHSSUWBVPWMN-JONQDZQNSA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]1C1CC1 ZINC000926550190 632481561 /nfs/dbraw/zinc/48/15/61/632481561.db2.gz MJPHSSUWBVPWMN-JONQDZQNSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[NH+]1CCCCC1 ZINC000310087330 632699046 /nfs/dbraw/zinc/69/90/46/632699046.db2.gz BGZJGCWKPLMMJF-APIJFGDWSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[NH+]1CCC([N@H+](C)Cc2ccoc2)CC1 ZINC000092165818 633007349 /nfs/dbraw/zinc/00/73/49/633007349.db2.gz JNOIDDUPBHPQOR-UHFFFAOYSA-N 2 2 236.359 2.586 20 0 BFADLP CCC[NH+]1CCC([N@@H+](C)Cc2ccoc2)CC1 ZINC000092165818 633007355 /nfs/dbraw/zinc/00/73/55/633007355.db2.gz JNOIDDUPBHPQOR-UHFFFAOYSA-N 2 2 236.359 2.586 20 0 BFADLP C1=C[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926838004 633191595 /nfs/dbraw/zinc/19/15/95/633191595.db2.gz QRBJEMFFZBMFGX-SOUVJXGZSA-N 2 2 234.387 2.559 20 0 BFADLP C1=C[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926838004 633191600 /nfs/dbraw/zinc/19/16/00/633191600.db2.gz QRBJEMFFZBMFGX-SOUVJXGZSA-N 2 2 234.387 2.559 20 0 BFADLP C1CC1C1([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000926873508 633758536 /nfs/dbraw/zinc/75/85/36/633758536.db2.gz GGLMNEJWCZLLSZ-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC1C1([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCC1 ZINC000926873508 633758542 /nfs/dbraw/zinc/75/85/42/633758542.db2.gz GGLMNEJWCZLLSZ-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP CC(C)C[C@@H](C[NH2+]C[C@H]1CC=CCC1)[NH+](C)C ZINC000020201787 633810264 /nfs/dbraw/zinc/81/02/64/633810264.db2.gz QSBWKEPCVHSBTF-GJZGRUSLSA-N 2 2 238.419 2.909 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925605101 634134551 /nfs/dbraw/zinc/13/45/51/634134551.db2.gz PCZJACSTEQXETE-NGFQHRJXSA-N 2 2 232.371 2.853 20 0 BFADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1 ZINC000925824896 635417647 /nfs/dbraw/zinc/41/76/47/635417647.db2.gz WASLEIJXQCUQOV-UUAFKZMDSA-N 2 2 244.382 2.709 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC000034991928 636350858 /nfs/dbraw/zinc/35/08/58/636350858.db2.gz VISKBXPEMKRASX-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC000034991928 636350860 /nfs/dbraw/zinc/35/08/60/636350860.db2.gz VISKBXPEMKRASX-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP C[C@@H]1CC[C@@H](C)C1[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925173241 636351670 /nfs/dbraw/zinc/35/16/70/636351670.db2.gz XLZXBEIBTUYPLM-JHJVBQTASA-N 2 2 247.386 2.785 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)[C@@H]1C[C@H]1C ZINC000322207537 636817970 /nfs/dbraw/zinc/81/79/70/636817970.db2.gz SPRSNADSVFLBKO-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)[C@H]1C[C@@H]1C ZINC000322207535 636819353 /nfs/dbraw/zinc/81/93/53/636819353.db2.gz SPRSNADSVFLBKO-AJNGGQMLSA-N 2 2 238.419 2.885 20 0 BFADLP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000042407809 637230071 /nfs/dbraw/zinc/23/00/71/637230071.db2.gz QHTCHNUVAAHBJB-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000042407809 637230080 /nfs/dbraw/zinc/23/00/80/637230080.db2.gz QHTCHNUVAAHBJB-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000019959705 637326870 /nfs/dbraw/zinc/32/68/70/637326870.db2.gz PGPCSTWVZWZBID-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000019959705 637326875 /nfs/dbraw/zinc/32/68/75/637326875.db2.gz PGPCSTWVZWZBID-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CCC[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904459576 637420947 /nfs/dbraw/zinc/42/09/47/637420947.db2.gz WCZQOUNIGPZHLK-HUUCEWRRSA-N 2 2 232.371 2.637 20 0 BFADLP C[NH+](C)C1(C)CC[NH+](Cc2ccsc2)CC1 ZINC000931351934 640168493 /nfs/dbraw/zinc/16/84/93/640168493.db2.gz AXEHSDJHMDAHFU-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(F)F ZINC000931622534 640283934 /nfs/dbraw/zinc/28/39/34/640283934.db2.gz QWBJNGYSKUPVRX-RYUDHWBXSA-N 2 2 246.345 2.590 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(F)F ZINC000931622534 640283939 /nfs/dbraw/zinc/28/39/39/640283939.db2.gz QWBJNGYSKUPVRX-RYUDHWBXSA-N 2 2 246.345 2.590 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC(C)(F)F ZINC000931622534 640283949 /nfs/dbraw/zinc/28/39/49/640283949.db2.gz QWBJNGYSKUPVRX-RYUDHWBXSA-N 2 2 246.345 2.590 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC(C)(F)F ZINC000931622534 640283950 /nfs/dbraw/zinc/28/39/50/640283950.db2.gz QWBJNGYSKUPVRX-RYUDHWBXSA-N 2 2 246.345 2.590 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(F)F ZINC000931622535 640285589 /nfs/dbraw/zinc/28/55/89/640285589.db2.gz QWBJNGYSKUPVRX-VXGBXAGGSA-N 2 2 246.345 2.590 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(F)F ZINC000931622535 640285592 /nfs/dbraw/zinc/28/55/92/640285592.db2.gz QWBJNGYSKUPVRX-VXGBXAGGSA-N 2 2 246.345 2.590 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC(C)(F)F ZINC000931622535 640285596 /nfs/dbraw/zinc/28/55/96/640285596.db2.gz QWBJNGYSKUPVRX-VXGBXAGGSA-N 2 2 246.345 2.590 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC(C)(F)F ZINC000931622535 640285600 /nfs/dbraw/zinc/28/56/00/640285600.db2.gz QWBJNGYSKUPVRX-VXGBXAGGSA-N 2 2 246.345 2.590 20 0 BFADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000931718328 640336833 /nfs/dbraw/zinc/33/68/33/640336833.db2.gz OPFVXDFFRSSCMD-RBGFHDKUSA-N 2 2 248.414 2.591 20 0 BFADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000931718328 640336837 /nfs/dbraw/zinc/33/68/37/640336837.db2.gz OPFVXDFFRSSCMD-RBGFHDKUSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000931718328 640336841 /nfs/dbraw/zinc/33/68/41/640336841.db2.gz OPFVXDFFRSSCMD-RBGFHDKUSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000931718328 640336849 /nfs/dbraw/zinc/33/68/49/640336849.db2.gz OPFVXDFFRSSCMD-RBGFHDKUSA-N 2 2 248.414 2.591 20 0 BFADLP CCCC[NH+]1CCC([NH2+]Cc2ccoc2)CC1 ZINC000062103827 641022365 /nfs/dbraw/zinc/02/23/65/641022365.db2.gz LETKQWKBPZYCBB-UHFFFAOYSA-N 2 2 236.359 2.634 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C)CSC(C)(C)C ZINC000152807720 641647394 /nfs/dbraw/zinc/64/73/94/641647394.db2.gz KLBFZDZIPPUOER-GFCCVEGCSA-N 2 2 246.464 2.838 20 0 BFADLP CC(C)(C)[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000324347422 641708885 /nfs/dbraw/zinc/70/88/85/641708885.db2.gz FPFPWLRVXIFGOX-ZDUSSCGKSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@@H]1C[C@H]1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929991771 642101366 /nfs/dbraw/zinc/10/13/66/642101366.db2.gz IXBFYFDOZWLSCZ-AGIUHOORSA-N 2 2 233.359 2.635 20 0 BFADLP CC[C@@H]1C[C@H]1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000929991771 642101375 /nfs/dbraw/zinc/10/13/75/642101375.db2.gz IXBFYFDOZWLSCZ-AGIUHOORSA-N 2 2 233.359 2.635 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C1CC1 ZINC000083055701 643405058 /nfs/dbraw/zinc/40/50/58/643405058.db2.gz PXBZZRCUGUMDKX-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000923457863 644437056 /nfs/dbraw/zinc/43/70/56/644437056.db2.gz NFVFUPCKTDEYAO-IJEWVQPXSA-N 2 2 244.382 2.740 20 0 BFADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000923457863 644437059 /nfs/dbraw/zinc/43/70/59/644437059.db2.gz NFVFUPCKTDEYAO-IJEWVQPXSA-N 2 2 244.382 2.740 20 0 BFADLP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)co1 ZINC000093564076 644695474 /nfs/dbraw/zinc/69/54/74/644695474.db2.gz QKHGTRQMJDOJMZ-HNNXBMFYSA-N 2 2 248.370 2.730 20 0 BFADLP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)co1 ZINC000093564076 644695478 /nfs/dbraw/zinc/69/54/78/644695478.db2.gz QKHGTRQMJDOJMZ-HNNXBMFYSA-N 2 2 248.370 2.730 20 0 BFADLP c1cn(CC[NH2+][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000250262135 644752528 /nfs/dbraw/zinc/75/25/28/644752528.db2.gz XSMHPGOFWXJKLP-SOUVJXGZSA-N 2 2 247.386 2.832 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+]C1CC2(C1)CCCC2 ZINC000924623288 646079736 /nfs/dbraw/zinc/07/97/36/646079736.db2.gz KELKCBOGYJKSEY-UHFFFAOYSA-N 2 2 236.403 2.785 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccns1 ZINC000924616711 646080210 /nfs/dbraw/zinc/08/02/10/646080210.db2.gz GLYGDVOUVREUDB-NSHDSACASA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccns1 ZINC000924616711 646080215 /nfs/dbraw/zinc/08/02/15/646080215.db2.gz GLYGDVOUVREUDB-NSHDSACASA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)=CC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925657187 646394905 /nfs/dbraw/zinc/39/49/05/646394905.db2.gz JBVKLMSWKYHDOZ-OCCSQVGLSA-N 2 2 218.344 2.631 20 0 BFADLP F[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000925691572 646416980 /nfs/dbraw/zinc/41/69/80/646416980.db2.gz OOSJXSQNRVFLOQ-UPJWGTAASA-N 2 2 240.366 2.531 20 0 BFADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000925711325 646437556 /nfs/dbraw/zinc/43/75/56/646437556.db2.gz ZXTIZEMLWGOHTH-RISCZKNCSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1cc(N[C@@H]2CCCCC[C@@H]2[NH3+])c[nH+]c1C ZINC000925769335 646470321 /nfs/dbraw/zinc/47/03/21/646470321.db2.gz OUPAQSHQMMZAFV-UONOGXRCSA-N 2 2 233.359 2.770 20 0 BFADLP C1CC1C1([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925896469 646535575 /nfs/dbraw/zinc/53/55/75/646535575.db2.gz ODLWSJMJLTZVTB-UONOGXRCSA-N 2 2 234.387 2.536 20 0 BFADLP C1CC1C1([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925896469 646535579 /nfs/dbraw/zinc/53/55/79/646535579.db2.gz ODLWSJMJLTZVTB-UONOGXRCSA-N 2 2 234.387 2.536 20 0 BFADLP CC(C)(C)[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000926223761 646597864 /nfs/dbraw/zinc/59/78/64/646597864.db2.gz DMCIFGZJDZAYGU-JSGCOSHPSA-N 2 2 247.386 2.612 20 0 BFADLP C[NH+](C)C1(C[NH2+]C2CC3(C2)CCCC3)CCC1 ZINC000926245128 646604594 /nfs/dbraw/zinc/60/45/94/646604594.db2.gz WUAVFFFKEXVXPM-UHFFFAOYSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)(C)[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000926450516 646641955 /nfs/dbraw/zinc/64/19/55/646641955.db2.gz OACBBWCBNWIRGA-RISCZKNCSA-N 2 2 247.386 2.681 20 0 BFADLP CCC1([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926508375 646668128 /nfs/dbraw/zinc/66/81/28/646668128.db2.gz GHGLFHZWBJIDMU-CHWSQXEVSA-N 2 2 222.376 2.536 20 0 BFADLP CCC1([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926508375 646668130 /nfs/dbraw/zinc/66/81/30/646668130.db2.gz GHGLFHZWBJIDMU-CHWSQXEVSA-N 2 2 222.376 2.536 20 0 BFADLP C[N@@H+](C/C=C\Cl)CC[C@@H]1CCCC[NH+]1C ZINC000255471901 711576818 /nfs/dbraw/zinc/57/68/18/711576818.db2.gz LAWYCDHRZPAYLW-JECSTDCCSA-N 2 2 230.783 2.545 20 0 BFADLP C[N@H+](C/C=C\Cl)CC[C@@H]1CCCC[NH+]1C ZINC000255471901 711576821 /nfs/dbraw/zinc/57/68/21/711576821.db2.gz LAWYCDHRZPAYLW-JECSTDCCSA-N 2 2 230.783 2.545 20 0 BFADLP C[NH+](C/C=C\Cl)CC[C@@H]1CCCC[N@@H+]1C ZINC000255471901 711576823 /nfs/dbraw/zinc/57/68/23/711576823.db2.gz LAWYCDHRZPAYLW-JECSTDCCSA-N 2 2 230.783 2.545 20 0 BFADLP C[NH+](C/C=C\Cl)CC[C@@H]1CCCC[N@H+]1C ZINC000255471901 711576825 /nfs/dbraw/zinc/57/68/25/711576825.db2.gz LAWYCDHRZPAYLW-JECSTDCCSA-N 2 2 230.783 2.545 20 0 BFADLP C[C@@H](C[NH2+]C1CCCCC1)[NH+]1CCCCC1 ZINC000038028191 711755453 /nfs/dbraw/zinc/75/54/53/711755453.db2.gz UQFSGAAOUAVRJG-ZDUSSCGKSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000705217134 712124360 /nfs/dbraw/zinc/12/43/60/712124360.db2.gz HQMSZVLAVHSTBZ-FRRDWIJNSA-N 2 2 235.375 2.543 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2CC3CCC2CC3)c[nH+]1 ZINC000382170075 710802427 /nfs/dbraw/zinc/80/24/27/710802427.db2.gz VBCILOVOCZFRNF-YMAMQOFZSA-N 2 2 247.386 2.832 20 0 BFADLP c1cn(CCCC[NH2+][C@H]2CC3CCC2CC3)c[nH+]1 ZINC000382170072 710803005 /nfs/dbraw/zinc/80/30/05/710803005.db2.gz VBCILOVOCZFRNF-NRXISQOPSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1scc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1C ZINC000399822239 711436138 /nfs/dbraw/zinc/43/61/38/711436138.db2.gz FRMOQVNTISSCID-GXFFZTMASA-N 2 2 238.400 2.595 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000381297958 710618878 /nfs/dbraw/zinc/61/88/78/710618878.db2.gz ASLPTBOVOTUPLG-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000381297958 710618880 /nfs/dbraw/zinc/61/88/80/710618880.db2.gz ASLPTBOVOTUPLG-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000394249277 711188375 /nfs/dbraw/zinc/18/83/75/711188375.db2.gz ZEAKALWQIBTEJW-WUCCLRPBSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC2CCC1CC2 ZINC000394249277 711188379 /nfs/dbraw/zinc/18/83/79/711188379.db2.gz ZEAKALWQIBTEJW-WUCCLRPBSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723569634 711518647 /nfs/dbraw/zinc/51/86/47/711518647.db2.gz TXNPDVUZUWQYJM-CHWSQXEVSA-N 2 2 233.359 2.584 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCC2(CC2)C1)[N@H+](C)C1CC1 ZINC000723574815 711519164 /nfs/dbraw/zinc/51/91/64/711519164.db2.gz UYXGJJBPNGIHFM-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCC2(CC2)C1)[N@@H+](C)C1CC1 ZINC000723574815 711519165 /nfs/dbraw/zinc/51/91/65/711519165.db2.gz UYXGJJBPNGIHFM-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCC2(CC2)C1)[N@H+](C)C1CC1 ZINC000723574811 711519176 /nfs/dbraw/zinc/51/91/76/711519176.db2.gz UYXGJJBPNGIHFM-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCC2(CC2)C1)[N@@H+](C)C1CC1 ZINC000723574811 711519177 /nfs/dbraw/zinc/51/91/77/711519177.db2.gz UYXGJJBPNGIHFM-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000382455475 711554804 /nfs/dbraw/zinc/55/48/04/711554804.db2.gz SXZUUPSUCZANRW-JHJVBQTASA-N 2 2 235.375 2.686 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCC2CC=CC2)C[N@@H+]1C1CC1 ZINC000724202201 711569777 /nfs/dbraw/zinc/56/97/77/711569777.db2.gz LFIMBDPHEKEHRT-GXTWGEPZSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCC2CC=CC2)C[N@H+]1C1CC1 ZINC000724202201 711569780 /nfs/dbraw/zinc/56/97/80/711569780.db2.gz LFIMBDPHEKEHRT-GXTWGEPZSA-N 2 2 234.387 2.558 20 0 BFADLP Cc1[nH]c(C[NH2+][C@H]2CC3CCC2CC3)c(C)[nH+]1 ZINC000724792178 711614689 /nfs/dbraw/zinc/61/46/89/711614689.db2.gz SIMDHPAQHVMTJS-BPCQOVAHSA-N 2 2 233.359 2.695 20 0 BFADLP [NH3+][C@@H]1C[N@H+](CCCC2CC2)C[C@H]1c1ccccc1 ZINC000394499323 711688596 /nfs/dbraw/zinc/68/85/96/711688596.db2.gz LKLUUGZXGXQESU-JKSUJKDBSA-N 2 2 244.382 2.603 20 0 BFADLP [NH3+][C@@H]1C[N@@H+](CCCC2CC2)C[C@H]1c1ccccc1 ZINC000394499323 711688597 /nfs/dbraw/zinc/68/85/97/711688597.db2.gz LKLUUGZXGXQESU-JKSUJKDBSA-N 2 2 244.382 2.603 20 0 BFADLP Cc1cc(N[C@H]2CCCC[C@@H]2C[NH3+])c[nH+]c1C ZINC000925770202 711742356 /nfs/dbraw/zinc/74/23/56/711742356.db2.gz UDRPJPPBFHLBLV-OCCSQVGLSA-N 2 2 233.359 2.628 20 0 BFADLP Cc1cc(N[C@H]2CCCC[C@H]2C[NH3+])c[nH+]c1C ZINC000925770199 711742557 /nfs/dbraw/zinc/74/25/57/711742557.db2.gz UDRPJPPBFHLBLV-JSGCOSHPSA-N 2 2 233.359 2.628 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H](C)C(C)(C)C)n1C ZINC000701637278 712025571 /nfs/dbraw/zinc/02/55/71/712025571.db2.gz KMWCNXCGZKZLGE-JTQLQIEISA-N 2 2 223.364 2.500 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[NH+]1CCCCC1 ZINC000378918145 712367976 /nfs/dbraw/zinc/36/79/76/712367976.db2.gz BGZJGCWKPLMMJF-XGUBFFRZSA-N 2 2 236.403 2.639 20 0 BFADLP C=C/C=C\CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000713739112 712470469 /nfs/dbraw/zinc/47/04/69/712470469.db2.gz IEQVCVXWSONYHD-ARJAWSKDSA-N 2 2 230.355 2.580 20 0 BFADLP C=C/C=C\CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000713739112 712470470 /nfs/dbraw/zinc/47/04/70/712470470.db2.gz IEQVCVXWSONYHD-ARJAWSKDSA-N 2 2 230.355 2.580 20 0 BFADLP CC(C)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156303 712549765 /nfs/dbraw/zinc/54/97/65/712549765.db2.gz KVLWWZJNSSBCAV-LBPRGKRZSA-N 2 2 223.364 2.543 20 0 BFADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccco1 ZINC000037156297 712549768 /nfs/dbraw/zinc/54/97/68/712549768.db2.gz VOPLBRNWGDEXHC-ZDUSSCGKSA-N 2 2 247.342 2.681 20 0 BFADLP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000037213830 712553249 /nfs/dbraw/zinc/55/32/49/712553249.db2.gz WHJWFVMUVUASIW-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000037213830 712553251 /nfs/dbraw/zinc/55/32/51/712553251.db2.gz WHJWFVMUVUASIW-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H](C[NH2+]C1CCCCCCC1)[NH+](C)C ZINC000038088984 712807066 /nfs/dbraw/zinc/80/70/66/712807066.db2.gz WLPFTJCZZNFGNE-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP CC1(C)C[N@H+](Cc2cccc(C3CC3)c2)C[C@H]1[NH3+] ZINC000720823179 712867816 /nfs/dbraw/zinc/86/78/16/712867816.db2.gz AOGPSIYVCMTSLN-OAHLLOKOSA-N 2 2 244.382 2.733 20 0 BFADLP CC1(C)C[N@@H+](Cc2cccc(C3CC3)c2)C[C@H]1[NH3+] ZINC000720823179 712867818 /nfs/dbraw/zinc/86/78/18/712867818.db2.gz AOGPSIYVCMTSLN-OAHLLOKOSA-N 2 2 244.382 2.733 20 0 BFADLP C[NH2+]CC[N@H+](C)CC[C@H]1CC=C(C)C1(C)C ZINC001204720395 965073372 /nfs/dbraw/zinc/07/33/72/965073372.db2.gz HFEXCGWATPRWMC-CYBMUJFWSA-N 2 2 224.392 2.520 20 0 BFADLP C[NH2+]CC[N@@H+](C)CC[C@H]1CC=C(C)C1(C)C ZINC001204720395 965073387 /nfs/dbraw/zinc/07/33/87/965073387.db2.gz HFEXCGWATPRWMC-CYBMUJFWSA-N 2 2 224.392 2.520 20 0 BFADLP CCCCCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336340 968243582 /nfs/dbraw/zinc/24/35/82/968243582.db2.gz MDPUDMCMFNSWPC-ZDUSSCGKSA-N 2 2 230.371 2.720 20 0 BFADLP CCCCCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336340 968243594 /nfs/dbraw/zinc/24/35/94/968243594.db2.gz MDPUDMCMFNSWPC-ZDUSSCGKSA-N 2 2 230.371 2.720 20 0 BFADLP CC[NH2+]CC[N@H+](C)[C@H](CC)c1ccccc1 ZINC001235960322 979226899 /nfs/dbraw/zinc/22/68/99/979226899.db2.gz RYTOSNQODCXRHQ-CQSZACIVSA-N 2 2 220.360 2.679 20 0 BFADLP CC[NH2+]CC[N@@H+](C)[C@H](CC)c1ccccc1 ZINC001235960322 979226908 /nfs/dbraw/zinc/22/69/08/979226908.db2.gz RYTOSNQODCXRHQ-CQSZACIVSA-N 2 2 220.360 2.679 20 0 BFADLP Cc1c(C)c(C[N@@H+](C)C[C@H](C)[NH3+])ccc1Cl ZINC001236908581 979793678 /nfs/dbraw/zinc/79/36/78/979793678.db2.gz LGVYCRLKLUPMCD-VIFPVBQESA-N 2 2 240.778 2.736 20 0 BFADLP Cc1c(C)c(C[N@H+](C)C[C@H](C)[NH3+])ccc1Cl ZINC001236908581 979793691 /nfs/dbraw/zinc/79/36/91/979793691.db2.gz LGVYCRLKLUPMCD-VIFPVBQESA-N 2 2 240.778 2.736 20 0 BFADLP CC[N@H+](CC1CCCC1)C1CC[NH+](C)CC1 ZINC001202166951 983577412 /nfs/dbraw/zinc/57/74/12/983577412.db2.gz HSAJSGRDVQYZPL-UHFFFAOYSA-N 2 2 224.392 2.593 20 0 BFADLP CC[N@@H+](CC1CCCC1)C1CC[NH+](C)CC1 ZINC001202166951 983577420 /nfs/dbraw/zinc/57/74/20/983577420.db2.gz HSAJSGRDVQYZPL-UHFFFAOYSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC001172393260 974745614 /nfs/dbraw/zinc/74/56/14/974745614.db2.gz JMSGJIJRESUUJU-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](CC(C)C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC001172393260 974745622 /nfs/dbraw/zinc/74/56/22/974745622.db2.gz JMSGJIJRESUUJU-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP CC1C[NH+](C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC001256603295 970873622 /nfs/dbraw/zinc/87/36/22/970873622.db2.gz BCNPPFYVLDQHKD-UHFFFAOYSA-N 2 2 244.382 2.603 20 0 BFADLP C[C@H]1CC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603666 970874555 /nfs/dbraw/zinc/87/45/55/970874555.db2.gz IRKLOGTUUZTEQN-AWEZNQCLSA-N 2 2 244.382 2.745 20 0 BFADLP C[C@H]1CC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603666 970874559 /nfs/dbraw/zinc/87/45/59/970874559.db2.gz IRKLOGTUUZTEQN-AWEZNQCLSA-N 2 2 244.382 2.745 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](CC(C)C)C1 ZINC001257250704 971147246 /nfs/dbraw/zinc/14/72/46/971147246.db2.gz TVRBBJRFBKYJLH-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](CC(C)C)C1 ZINC001257250704 971147261 /nfs/dbraw/zinc/14/72/61/971147261.db2.gz TVRBBJRFBKYJLH-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](CC)[NH2+]CCOc1cc[nH+]cc1 ZINC001257252868 971149680 /nfs/dbraw/zinc/14/96/80/971149680.db2.gz JHLHNJAXZCKYTN-GFCCVEGCSA-N 2 2 222.332 2.629 20 0 BFADLP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001257312098 971206172 /nfs/dbraw/zinc/20/61/72/971206172.db2.gz UKFORFSRLZSKQE-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001257312098 971206176 /nfs/dbraw/zinc/20/61/76/971206176.db2.gz UKFORFSRLZSKQE-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257327539 971231322 /nfs/dbraw/zinc/23/13/22/971231322.db2.gz LHUQZAGZGOIYCS-CYBMUJFWSA-N 2 2 226.408 2.980 20 0 BFADLP CCC[C@@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257327539 971231327 /nfs/dbraw/zinc/23/13/27/971231327.db2.gz LHUQZAGZGOIYCS-CYBMUJFWSA-N 2 2 226.408 2.980 20 0 BFADLP CCCC(CCC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001257338867 971247627 /nfs/dbraw/zinc/24/76/27/971247627.db2.gz CIOFRPZHURMDMW-HIFRSBDPSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001257338867 971247639 /nfs/dbraw/zinc/24/76/39/971247639.db2.gz CIOFRPZHURMDMW-HIFRSBDPSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001257338867 971247646 /nfs/dbraw/zinc/24/76/46/971247646.db2.gz CIOFRPZHURMDMW-HIFRSBDPSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC(CCC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001257338867 971247650 /nfs/dbraw/zinc/24/76/50/971247650.db2.gz CIOFRPZHURMDMW-HIFRSBDPSA-N 2 2 238.419 2.981 20 0 BFADLP c1cc(OC2CC[NH+](C3CCCC3)CC2)cc[nH+]1 ZINC001257350059 971260621 /nfs/dbraw/zinc/26/06/21/971260621.db2.gz DAVYUJSUPLQBKS-UHFFFAOYSA-N 2 2 246.354 2.867 20 0 BFADLP CCCC[C@H](CC)n1cc[nH+]c1CC[NH3+] ZINC001257409399 971299585 /nfs/dbraw/zinc/29/95/85/971299585.db2.gz HGUFMOZOVUUYDH-NSHDSACASA-N 2 2 209.337 2.526 20 0 BFADLP CCCC[C@H](CC)n1c[nH+]c(C)c1CC[NH3+] ZINC001257410073 971304907 /nfs/dbraw/zinc/30/49/07/971304907.db2.gz PYMDCFRKJKMQRN-LBPRGKRZSA-N 2 2 223.364 2.834 20 0 BFADLP CC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001257447174 971360918 /nfs/dbraw/zinc/36/09/18/971360918.db2.gz ARZPYKUWFYHHFZ-CHWSQXEVSA-N 2 2 234.343 2.642 20 0 BFADLP CC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001257447174 971360927 /nfs/dbraw/zinc/36/09/27/971360927.db2.gz ARZPYKUWFYHHFZ-CHWSQXEVSA-N 2 2 234.343 2.642 20 0 BFADLP C(C1CCC1)[N@@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC001257452673 971374322 /nfs/dbraw/zinc/37/43/22/971374322.db2.gz HWBPNWCQPQYYBQ-HNNXBMFYSA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCC1)[N@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC001257452673 971374330 /nfs/dbraw/zinc/37/43/30/971374330.db2.gz HWBPNWCQPQYYBQ-HNNXBMFYSA-N 2 2 236.403 2.783 20 0 BFADLP c1cn(C2CCCCC2)c([C@@H]2CCC[NH2+]C2)[nH+]1 ZINC001257458982 971382288 /nfs/dbraw/zinc/38/22/88/971382288.db2.gz JYVYAAGGXCVGIE-GFCCVEGCSA-N 2 2 233.359 2.855 20 0 BFADLP CC(C)C[NH+]1CCC([N@H+]2C[C@H](F)C[C@H]2C)CC1 ZINC001258010681 971554171 /nfs/dbraw/zinc/55/41/71/971554171.db2.gz CRIIGWMARBOYGX-CHWSQXEVSA-N 2 2 242.382 2.539 20 0 BFADLP CC(C)C[NH+]1CCC([N@@H+]2C[C@H](F)C[C@H]2C)CC1 ZINC001258010681 971554166 /nfs/dbraw/zinc/55/41/66/971554166.db2.gz CRIIGWMARBOYGX-CHWSQXEVSA-N 2 2 242.382 2.539 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC001258051203 971572587 /nfs/dbraw/zinc/57/25/87/971572587.db2.gz CGHYUTNYOSUDPG-KBPBESRZSA-N 2 2 237.391 2.934 20 0 BFADLP Cc1ccc2cc[nH+]c(NCC3C[NH+](C)C3)c2c1 ZINC001159219218 971744040 /nfs/dbraw/zinc/74/40/40/971744040.db2.gz XVRGBQIATRMUOA-UHFFFAOYSA-N 2 2 241.338 2.517 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172359931 974628711 /nfs/dbraw/zinc/62/87/11/974628711.db2.gz GCZINYRJEHKQIR-XQLPTFJDSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172359931 974628719 /nfs/dbraw/zinc/62/87/19/974628719.db2.gz GCZINYRJEHKQIR-XQLPTFJDSA-N 2 2 238.419 2.885 20 0 BFADLP CC1CCC([NH2+][C@H](C[NH3+])c2ccccc2)CC1 ZINC001246075786 972130379 /nfs/dbraw/zinc/13/03/79/972130379.db2.gz KPRMFOBLIWJMSA-PESDSKBTSA-N 2 2 232.371 2.855 20 0 BFADLP CCCc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246233231 972238894 /nfs/dbraw/zinc/23/88/94/972238894.db2.gz VJAUWOMPCLOWCR-XJKSGUPXSA-N 2 2 246.398 2.869 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1ccccc1 ZINC001246231218 972236236 /nfs/dbraw/zinc/23/62/36/972236236.db2.gz CTRMVXUKCGOTIP-VHDGCEQUSA-N 2 2 232.371 2.724 20 0 BFADLP C[N@@H+]1CCC[C@H]2C[NH+](CCC3CCCC3)C[C@H]21 ZINC001208695761 957131505 /nfs/dbraw/zinc/13/15/05/957131505.db2.gz GNMVQGYLJYHOOO-LSDHHAIUSA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@H]2C[NH+](CCC3CCCC3)C[C@H]21 ZINC001208695761 957131512 /nfs/dbraw/zinc/13/15/12/957131512.db2.gz GNMVQGYLJYHOOO-LSDHHAIUSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]21 ZINC001208695761 957131522 /nfs/dbraw/zinc/13/15/22/957131522.db2.gz GNMVQGYLJYHOOO-LSDHHAIUSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@@H+](CCC3CCCC3)C[C@H]21 ZINC001208695761 957131524 /nfs/dbraw/zinc/13/15/24/957131524.db2.gz GNMVQGYLJYHOOO-LSDHHAIUSA-N 2 2 236.403 2.593 20 0 BFADLP c1cc2cc(C[NH2+][C@@H]3CCC[NH2+]C3)ccc2s1 ZINC001246239483 972245225 /nfs/dbraw/zinc/24/52/25/972245225.db2.gz JENKQSLCGMBAKG-CYBMUJFWSA-N 2 2 246.379 2.743 20 0 BFADLP CC[N@H+](CCCC(C)C)CCn1cc[nH+]c1 ZINC001208736874 957153804 /nfs/dbraw/zinc/15/38/04/957153804.db2.gz CKFFWUMPRHLHHF-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CC[N@@H+](CCCC(C)C)CCn1cc[nH+]c1 ZINC001208736874 957153810 /nfs/dbraw/zinc/15/38/10/957153810.db2.gz CKFFWUMPRHLHHF-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP Cc1cc(C)[nH+]c(Nc2c[nH+]c(N)cc2C)c1 ZINC001209962154 957588764 /nfs/dbraw/zinc/58/87/64/957588764.db2.gz RYFUIBLUMMMNDB-UHFFFAOYSA-N 2 2 228.299 2.728 20 0 BFADLP CCc1ccc(C[N@H+](C)[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000398961984 958458745 /nfs/dbraw/zinc/45/87/45/958458745.db2.gz NRFDXARIWKCMKA-XJKSGUPXSA-N 2 2 246.398 2.821 20 0 BFADLP CCc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000398961984 958458756 /nfs/dbraw/zinc/45/87/56/958458756.db2.gz NRFDXARIWKCMKA-XJKSGUPXSA-N 2 2 246.398 2.821 20 0 BFADLP Nc1cc(CNc2cc[nH+]c(C3CC3)c2)cc[nH+]1 ZINC001167618037 959088947 /nfs/dbraw/zinc/08/89/47/959088947.db2.gz CPOBSUVCIFFMDA-UHFFFAOYSA-N 2 2 240.310 2.548 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000702636236 959619946 /nfs/dbraw/zinc/61/99/46/959619946.db2.gz FIBIQBRXEJTTRO-DOMZBBRYSA-N 2 2 246.398 2.906 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000702636236 959619959 /nfs/dbraw/zinc/61/99/59/959619959.db2.gz FIBIQBRXEJTTRO-DOMZBBRYSA-N 2 2 246.398 2.906 20 0 BFADLP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cs1 ZINC000309266092 959820550 /nfs/dbraw/zinc/82/05/50/959820550.db2.gz FFXDAQVCWVUCLC-DGCLKSJQSA-N 2 2 238.400 2.758 20 0 BFADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)[NH3+])cs1 ZINC000309266092 959820555 /nfs/dbraw/zinc/82/05/55/959820555.db2.gz FFXDAQVCWVUCLC-DGCLKSJQSA-N 2 2 238.400 2.758 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000695735180 960409497 /nfs/dbraw/zinc/40/94/97/960409497.db2.gz ALDOEFMEFJKOOQ-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC1CC[NH+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140799869 960582225 /nfs/dbraw/zinc/58/22/25/960582225.db2.gz OSXFRYAELXSAMJ-UHFFFAOYSA-N 2 2 229.327 2.795 20 0 BFADLP CC[C@@H]1CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806478 960605927 /nfs/dbraw/zinc/60/59/27/960605927.db2.gz KBPNUNKWUHBVGR-LLVKDONJSA-N 2 2 229.327 2.795 20 0 BFADLP CC[C@@H]1CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140806478 960605935 /nfs/dbraw/zinc/60/59/35/960605935.db2.gz KBPNUNKWUHBVGR-LLVKDONJSA-N 2 2 229.327 2.795 20 0 BFADLP Cc1c[nH]c(C[N@H+](C)CCC[NH+]2CCCC2)c1C ZINC001140860645 960642353 /nfs/dbraw/zinc/64/23/53/960642353.db2.gz XJXABSBACCQXHD-UHFFFAOYSA-N 2 2 249.402 2.549 20 0 BFADLP Cc1c[nH]c(C[N@@H+](C)CCC[NH+]2CCCC2)c1C ZINC001140860645 960642365 /nfs/dbraw/zinc/64/23/65/960642365.db2.gz XJXABSBACCQXHD-UHFFFAOYSA-N 2 2 249.402 2.549 20 0 BFADLP c1cn2ccc(C[N@@H+]3CC4CCC3CC4)cc2[nH+]1 ZINC001141046194 960833650 /nfs/dbraw/zinc/83/36/50/960833650.db2.gz QGQGQKRHMZUSJY-UHFFFAOYSA-N 2 2 241.338 2.709 20 0 BFADLP c1cn2ccc(C[N@H+]3CC4CCC3CC4)cc2[nH+]1 ZINC001141046194 960833653 /nfs/dbraw/zinc/83/36/53/960833653.db2.gz QGQGQKRHMZUSJY-UHFFFAOYSA-N 2 2 241.338 2.709 20 0 BFADLP Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc(C(C)C)[nH+]1 ZINC000709762294 961483982 /nfs/dbraw/zinc/48/39/82/961483982.db2.gz IZYSPQSRPCNBNA-VXGBXAGGSA-N 2 2 248.374 2.590 20 0 BFADLP CC(C)[N@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC001167947587 962561079 /nfs/dbraw/zinc/56/10/79/962561079.db2.gz BYOVHZQBOFZBPK-AGGWBTHJSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[N@@H+]([C@@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC001167947587 962561094 /nfs/dbraw/zinc/56/10/94/962561094.db2.gz BYOVHZQBOFZBPK-AGGWBTHJSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[N@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC001167947588 962566101 /nfs/dbraw/zinc/56/61/01/962566101.db2.gz BYOVHZQBOFZBPK-NHAGDIPZSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[N@@H+]([C@H]1C[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC001167947588 962566117 /nfs/dbraw/zinc/56/61/17/962566117.db2.gz BYOVHZQBOFZBPK-NHAGDIPZSA-N 2 2 236.403 2.590 20 0 BFADLP C[C@@H]1C[C@@H](CNc2cc3ccccc3c[nH+]2)C[NH2+]1 ZINC001155101056 962976735 /nfs/dbraw/zinc/97/67/35/962976735.db2.gz HQMVVPDRTQLODV-VXGBXAGGSA-N 2 2 241.338 2.645 20 0 BFADLP CC1(Nc2cc3ccccc3c[nH+]2)CC[NH2+]CC1 ZINC001157397962 963598164 /nfs/dbraw/zinc/59/81/64/963598164.db2.gz ZQKWEKAESRTZMN-UHFFFAOYSA-N 2 2 241.338 2.789 20 0 BFADLP CC(C)c1ccc(N2CCC[C@@](C)(C[NH3+])C2)[nH+]c1 ZINC001158679747 963901242 /nfs/dbraw/zinc/90/12/42/963901242.db2.gz XKQOOYNNDXWFBN-HNNXBMFYSA-N 2 2 247.386 2.770 20 0 BFADLP Cc1cc[nH+]c(C(C)C)c1NC1=CCC[NH2+]C1 ZINC001159420786 964080355 /nfs/dbraw/zinc/08/03/55/964080355.db2.gz NQBIDFXUBZGEFC-UHFFFAOYSA-N 2 2 231.343 2.803 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000400451772 965950611 /nfs/dbraw/zinc/95/06/11/965950611.db2.gz OUEKPLYVXCJTEH-SDDRHHMPSA-N 2 2 238.400 2.848 20 0 BFADLP C[C@@H](CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21)CC(C)(C)C ZINC001235071950 966002452 /nfs/dbraw/zinc/00/24/52/966002452.db2.gz DUYWOYUTQPUKSD-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21)CC(C)(C)C ZINC001235071950 966002467 /nfs/dbraw/zinc/00/24/67/966002467.db2.gz DUYWOYUTQPUKSD-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP CCc1cccc(C)c1C[N@@H+](CC)[C@@H]1CC[NH2+]C1 ZINC001235976463 966191316 /nfs/dbraw/zinc/19/13/16/966191316.db2.gz XIXHVTWNIODJIG-OAHLLOKOSA-N 2 2 246.398 2.741 20 0 BFADLP CCc1cccc(C)c1C[N@H+](CC)[C@@H]1CC[NH2+]C1 ZINC001235976463 966191322 /nfs/dbraw/zinc/19/13/22/966191322.db2.gz XIXHVTWNIODJIG-OAHLLOKOSA-N 2 2 246.398 2.741 20 0 BFADLP CC(C)(C)c1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206712182 966256970 /nfs/dbraw/zinc/25/69/70/966256970.db2.gz VRNNDEDOKWHHBD-UHFFFAOYSA-N 2 2 246.398 2.765 20 0 BFADLP CC[N@H+](CC[NH2+]C)CC[C@H](C)c1ccc(C)o1 ZINC001236143531 966275275 /nfs/dbraw/zinc/27/52/75/966275275.db2.gz LGALDISFEROMMY-LBPRGKRZSA-N 2 2 238.375 2.623 20 0 BFADLP CC[N@@H+](CC[NH2+]C)CC[C@H](C)c1ccc(C)o1 ZINC001236143531 966275283 /nfs/dbraw/zinc/27/52/83/966275283.db2.gz LGALDISFEROMMY-LBPRGKRZSA-N 2 2 238.375 2.623 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236202430 966307328 /nfs/dbraw/zinc/30/73/28/966307328.db2.gz RKUXLGXJPVUFDT-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236202430 966307335 /nfs/dbraw/zinc/30/73/35/966307335.db2.gz RKUXLGXJPVUFDT-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1ccc([C@H](C)CC[N@@H+]2CCC[C@@H]2C[NH3+])o1 ZINC001236244316 966316194 /nfs/dbraw/zinc/31/61/94/966316194.db2.gz JWXYABRLOJYGRF-DGCLKSJQSA-N 2 2 236.359 2.505 20 0 BFADLP Cc1ccc([C@H](C)CC[N@H+]2CCC[C@@H]2C[NH3+])o1 ZINC001236244316 966316198 /nfs/dbraw/zinc/31/61/98/966316198.db2.gz JWXYABRLOJYGRF-DGCLKSJQSA-N 2 2 236.359 2.505 20 0 BFADLP Cc1c[nH+]c(C)c(Nc2cc[nH+]cc2C)c1 ZINC001203654904 966723188 /nfs/dbraw/zinc/72/31/88/966723188.db2.gz ROPHDMHZERCKNQ-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP CCC[N@H+](CCC[NH+](C)C)Cc1cccc(C)n1 ZINC001204071654 966879500 /nfs/dbraw/zinc/87/95/00/966879500.db2.gz XTXYBPWRJWMKEI-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(C)n1 ZINC001204071654 966879507 /nfs/dbraw/zinc/87/95/07/966879507.db2.gz XTXYBPWRJWMKEI-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP Cc1c(F)cccc1C[N@@H+](C)CCC[NH+](C)C ZINC001204507287 967009749 /nfs/dbraw/zinc/00/97/49/967009749.db2.gz VYDJCUXLRSJUGC-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP Cc1c(F)cccc1C[N@H+](C)CCC[NH+](C)C ZINC001204507287 967009756 /nfs/dbraw/zinc/00/97/56/967009756.db2.gz VYDJCUXLRSJUGC-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP CCCCc1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204790343 967168963 /nfs/dbraw/zinc/16/89/63/967168963.db2.gz JGSMGWDSIGTDJC-INIZCTEOSA-N 2 2 246.398 2.952 20 0 BFADLP CCCCc1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC001204790343 967168968 /nfs/dbraw/zinc/16/89/68/967168968.db2.gz JGSMGWDSIGTDJC-INIZCTEOSA-N 2 2 246.398 2.952 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204940466 967243810 /nfs/dbraw/zinc/24/38/10/967243810.db2.gz XTRLIWWNWNAWHN-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])C2)cc1 ZINC001204940466 967243818 /nfs/dbraw/zinc/24/38/18/967243818.db2.gz XTRLIWWNWNAWHN-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1coc2ccccc12 ZINC001205068672 967329081 /nfs/dbraw/zinc/32/90/81/967329081.db2.gz MDEDRORUDNLSDK-AAEUAGOBSA-N 2 2 244.338 2.744 20 0 BFADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1coc2ccccc12 ZINC001205068672 967329091 /nfs/dbraw/zinc/32/90/91/967329091.db2.gz MDEDRORUDNLSDK-AAEUAGOBSA-N 2 2 244.338 2.744 20 0 BFADLP c1cn2c(cccc2Nc2ccc3c[nH+]cn3c2)[nH+]1 ZINC001250322817 967701649 /nfs/dbraw/zinc/70/16/49/967701649.db2.gz NFMMCFFEEBOXKT-UHFFFAOYSA-N 2 2 249.277 2.726 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)n1C ZINC001206794853 968478871 /nfs/dbraw/zinc/47/88/71/968478871.db2.gz ZIGIJTQLKLHTSP-DZGCQCFKSA-N 2 2 247.386 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)n1C ZINC001206794853 968478876 /nfs/dbraw/zinc/47/88/76/968478876.db2.gz ZIGIJTQLKLHTSP-DZGCQCFKSA-N 2 2 247.386 2.883 20 0 BFADLP CC/C=C\CCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001208136036 969039503 /nfs/dbraw/zinc/03/95/03/969039503.db2.gz OYUQSMMENUWCTE-JZIMQPMSSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C\CCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001208136036 969039513 /nfs/dbraw/zinc/03/95/13/969039513.db2.gz OYUQSMMENUWCTE-JZIMQPMSSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C\CCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001208136036 969039522 /nfs/dbraw/zinc/03/95/22/969039522.db2.gz OYUQSMMENUWCTE-JZIMQPMSSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C\CCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001208136036 969039531 /nfs/dbraw/zinc/03/95/31/969039531.db2.gz OYUQSMMENUWCTE-JZIMQPMSSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C\CCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001208138665 969046714 /nfs/dbraw/zinc/04/67/14/969046714.db2.gz QUJMPERNHRATMB-NWRQEBOHSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001208138665 969046727 /nfs/dbraw/zinc/04/67/27/969046727.db2.gz QUJMPERNHRATMB-NWRQEBOHSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001208138665 969046738 /nfs/dbraw/zinc/04/67/38/969046738.db2.gz QUJMPERNHRATMB-NWRQEBOHSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001208138665 969046750 /nfs/dbraw/zinc/04/67/50/969046750.db2.gz QUJMPERNHRATMB-NWRQEBOHSA-N 2 2 236.403 2.759 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC001169107688 969445839 /nfs/dbraw/zinc/44/58/39/969445839.db2.gz KEVIMLDYVGQKPS-RUZUBIRVSA-N 2 2 234.343 2.555 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC001169107688 969445844 /nfs/dbraw/zinc/44/58/44/969445844.db2.gz KEVIMLDYVGQKPS-RUZUBIRVSA-N 2 2 234.343 2.555 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001169246662 969535159 /nfs/dbraw/zinc/53/51/59/969535159.db2.gz TYUKNEAGSYCDJG-CQSZACIVSA-N 2 2 242.382 2.685 20 0 BFADLP CC[NH+]1CCC([N@H+]2CCCC[C@@](C)(F)C2)CC1 ZINC001169246662 969535161 /nfs/dbraw/zinc/53/51/61/969535161.db2.gz TYUKNEAGSYCDJG-CQSZACIVSA-N 2 2 242.382 2.685 20 0 BFADLP Cc1ccc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)[nH+]1 ZINC001254238585 969550176 /nfs/dbraw/zinc/55/01/76/969550176.db2.gz UBWMOVGUHVFGGG-BONVTDFDSA-N 2 2 245.370 2.593 20 0 BFADLP Cc1ccc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)[nH+]1 ZINC001254238585 969550181 /nfs/dbraw/zinc/55/01/81/969550181.db2.gz UBWMOVGUHVFGGG-BONVTDFDSA-N 2 2 245.370 2.593 20 0 BFADLP C[C@H]1CC[C@H]([N@H+](C)Cc2c[nH+]ccc2N)CC1 ZINC001209733294 969593580 /nfs/dbraw/zinc/59/35/80/969593580.db2.gz JPDFQBZCQPIPOR-AULYBMBSSA-N 2 2 233.359 2.505 20 0 BFADLP C[C@H]1CC[C@H]([N@@H+](C)Cc2c[nH+]ccc2N)CC1 ZINC001209733294 969593586 /nfs/dbraw/zinc/59/35/86/969593586.db2.gz JPDFQBZCQPIPOR-AULYBMBSSA-N 2 2 233.359 2.505 20 0 BFADLP CCCC[N@H+](CCC)Cc1c[nH+]ccc1N ZINC001209734207 969599246 /nfs/dbraw/zinc/59/92/46/969599246.db2.gz NPWDQSKAVHYBGL-UHFFFAOYSA-N 2 2 221.348 2.506 20 0 BFADLP CCCC[N@@H+](CCC)Cc1c[nH+]ccc1N ZINC001209734207 969599256 /nfs/dbraw/zinc/59/92/56/969599256.db2.gz NPWDQSKAVHYBGL-UHFFFAOYSA-N 2 2 221.348 2.506 20 0 BFADLP C1CC12CCC([NH2+][C@H]1CC[N@@H+](C3CCC3)C1)CC2 ZINC001254437321 969625367 /nfs/dbraw/zinc/62/53/67/969625367.db2.gz VWFJZUJSHBMMMM-AWEZNQCLSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC12CCC([NH2+][C@H]1CC[N@H+](C3CCC3)C1)CC2 ZINC001254437321 969625376 /nfs/dbraw/zinc/62/53/76/969625376.db2.gz VWFJZUJSHBMMMM-AWEZNQCLSA-N 2 2 248.414 2.926 20 0 BFADLP c1cn2cc(Nc3ccc4[nH]c[nH+]c4c3)ccc2[nH+]1 ZINC001209843428 969654869 /nfs/dbraw/zinc/65/48/69/969654869.db2.gz XOBVCKKFGHCJIV-UHFFFAOYSA-N 2 2 249.277 2.954 20 0 BFADLP CCc1ccc(C)[nH+]c1Nc1c[nH+]c(N)cc1C ZINC001209962509 969725775 /nfs/dbraw/zinc/72/57/75/969725775.db2.gz WLDRGHGOIRECHX-UHFFFAOYSA-N 2 2 242.326 2.982 20 0 BFADLP CCc1cccc(Nc2c[nH+]c(N)cc2C)[nH+]1 ZINC001209966165 969728737 /nfs/dbraw/zinc/72/87/37/969728737.db2.gz BUMJCOOUWPMNOJ-UHFFFAOYSA-N 2 2 228.299 2.673 20 0 BFADLP Cc1cc[nH+]c(C)c1Nc1c[nH+]c(N)cc1C ZINC001209967908 969737587 /nfs/dbraw/zinc/73/75/87/969737587.db2.gz OKVGDYLJBFDSMP-UHFFFAOYSA-N 2 2 228.299 2.728 20 0 BFADLP Cc1cc(NCC[C@H]2CCC[NH2+]2)ccc1[NH+](C)C ZINC001169568937 969766378 /nfs/dbraw/zinc/76/63/78/969766378.db2.gz GNKYDXCERQMXET-CYBMUJFWSA-N 2 2 247.386 2.615 20 0 BFADLP CC1(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCCC1 ZINC001254833616 969796922 /nfs/dbraw/zinc/79/69/22/969796922.db2.gz QFMLEBQHORWTNM-CQSZACIVSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)c1ccccc1 ZINC001254836136 969798829 /nfs/dbraw/zinc/79/88/29/969798829.db2.gz JWHAMVFKYHLTGY-CJNGLKHVSA-N 2 2 244.382 2.822 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254841537 969802233 /nfs/dbraw/zinc/80/22/33/969802233.db2.gz YAXZRODSSBSAJN-BPLDGKMQSA-N 2 2 236.403 2.639 20 0 BFADLP C1[C@@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C12CCCCC2 ZINC001254846825 969802748 /nfs/dbraw/zinc/80/27/48/969802748.db2.gz WFTAHPOZNUAFKV-HUUCEWRRSA-N 2 2 248.414 2.783 20 0 BFADLP C1[C@@H]2CCCC[C@@H]2C[N@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851409 969805475 /nfs/dbraw/zinc/80/54/75/969805475.db2.gz AFOPIGDDGMFUGZ-OWCLPIDISA-N 2 2 248.414 2.593 20 0 BFADLP C1[C@@H]2CCCC[C@@H]2C[N@@H+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851409 969805477 /nfs/dbraw/zinc/80/54/77/969805477.db2.gz AFOPIGDDGMFUGZ-OWCLPIDISA-N 2 2 248.414 2.593 20 0 BFADLP Cc1cc(NCC23CC[NH+](CC2)CC3)c[nH+]c1C ZINC001169796005 969860868 /nfs/dbraw/zinc/86/08/68/969860868.db2.gz KJQBFAOHFVCUEZ-UHFFFAOYSA-N 2 2 245.370 2.596 20 0 BFADLP C[NH2+]Cc1cccc(-c2ccc3[nH+]ccn3c2)c1 ZINC001242997375 970195417 /nfs/dbraw/zinc/19/54/17/970195417.db2.gz PVURJLAFSFEJBD-UHFFFAOYSA-N 2 2 237.306 2.721 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001170118623 970342736 /nfs/dbraw/zinc/34/27/36/970342736.db2.gz SZGZHCSICKPUSE-CFVMTHIKSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001170118623 970342749 /nfs/dbraw/zinc/34/27/49/970342749.db2.gz SZGZHCSICKPUSE-CFVMTHIKSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001170123538 970362393 /nfs/dbraw/zinc/36/23/93/970362393.db2.gz CPNBYDQKZULYIM-DGCLKSJQSA-N 2 2 229.327 2.613 20 0 BFADLP CC[N@H+]([C@@H]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC001170145975 970435447 /nfs/dbraw/zinc/43/54/47/970435447.db2.gz XGEOWYADKYOTJO-GXTWGEPZSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@@H+]([C@@H]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC001170145975 970435456 /nfs/dbraw/zinc/43/54/56/970435456.db2.gz XGEOWYADKYOTJO-GXTWGEPZSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[N@H+]([C@@H]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC001170158324 970487202 /nfs/dbraw/zinc/48/72/02/970487202.db2.gz NTNWILGOLUGYRS-UKRRQHHQSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@@H+]([C@@H]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC001170158324 970487208 /nfs/dbraw/zinc/48/72/08/970487208.db2.gz NTNWILGOLUGYRS-UKRRQHHQSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@H+]([C@H]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC001170158326 970489232 /nfs/dbraw/zinc/48/92/32/970489232.db2.gz NTNWILGOLUGYRS-ZFWWWQNUSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@@H+]([C@H]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC001170158326 970489242 /nfs/dbraw/zinc/48/92/42/970489242.db2.gz NTNWILGOLUGYRS-ZFWWWQNUSA-N 2 2 238.419 2.980 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[NH2+][C@@H](C)c1ccccn1 ZINC001255940805 970572607 /nfs/dbraw/zinc/57/26/07/970572607.db2.gz GVSAZHSVMUUOHX-KGLIPLIRSA-N 2 2 249.402 2.853 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001255955595 970586480 /nfs/dbraw/zinc/58/64/80/970586480.db2.gz CQNPTPYVJYEJSX-UPJWGTAASA-N 2 2 230.371 2.539 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1C[C@@H](F)C[C@H]1C ZINC001255955595 970586490 /nfs/dbraw/zinc/58/64/90/970586490.db2.gz CQNPTPYVJYEJSX-UPJWGTAASA-N 2 2 230.371 2.539 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccncc1 ZINC001255957351 970593246 /nfs/dbraw/zinc/59/32/46/970593246.db2.gz QSWTVKLFRYDMLC-CQSZACIVSA-N 2 2 249.402 2.634 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccncc1 ZINC001255957351 970593251 /nfs/dbraw/zinc/59/32/51/970593251.db2.gz QSWTVKLFRYDMLC-CQSZACIVSA-N 2 2 249.402 2.634 20 0 BFADLP c1ccc2c(c1)C[NH+](C1CC[NH+](C3CC3)CC1)C2 ZINC001256073275 970642529 /nfs/dbraw/zinc/64/25/29/970642529.db2.gz QDQFOHQLDKVLCW-UHFFFAOYSA-N 2 2 242.366 2.629 20 0 BFADLP C[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC001256080140 970647860 /nfs/dbraw/zinc/64/78/60/970647860.db2.gz SCMJXQCCAFKVCP-OLZOCXBDSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC001256080140 970647861 /nfs/dbraw/zinc/64/78/61/970647861.db2.gz SCMJXQCCAFKVCP-OLZOCXBDSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)[C@@H]1CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256080990 970648851 /nfs/dbraw/zinc/64/88/51/970648851.db2.gz KNNYEZIYAAABND-HNNXBMFYSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)[C@@H]1CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256080990 970648859 /nfs/dbraw/zinc/64/88/59/970648859.db2.gz KNNYEZIYAAABND-HNNXBMFYSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@@H+]1C1CC[NH+](C)CC1 ZINC001256202574 970706287 /nfs/dbraw/zinc/70/62/87/970706287.db2.gz HFHRIDPVPYQGGZ-CYBMUJFWSA-N 2 2 244.382 2.700 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@H+]1C1CC[NH+](C)CC1 ZINC001256202574 970706291 /nfs/dbraw/zinc/70/62/91/970706291.db2.gz HFHRIDPVPYQGGZ-CYBMUJFWSA-N 2 2 244.382 2.700 20 0 BFADLP C[C@H]1CC[C@H]([N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001256216153 970721544 /nfs/dbraw/zinc/72/15/44/970721544.db2.gz UNGSXOFOIPTNPS-JOCQHMNTSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC001256216153 970721556 /nfs/dbraw/zinc/72/15/56/970721556.db2.gz UNGSXOFOIPTNPS-JOCQHMNTSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@@H](C)C[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222553570 972565212 /nfs/dbraw/zinc/56/52/12/972565212.db2.gz XNWAVMMWUAQMHD-KCXAZCMYSA-N 2 2 244.382 2.604 20 0 BFADLP CC[C@@H](C)C[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222553570 972565228 /nfs/dbraw/zinc/56/52/28/972565228.db2.gz XNWAVMMWUAQMHD-KCXAZCMYSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246549992 972699777 /nfs/dbraw/zinc/69/97/77/972699777.db2.gz UNJKZNVIMUNEMM-ZFWWWQNUSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1c2ccccc2CC[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246549992 972699781 /nfs/dbraw/zinc/69/97/81/972699781.db2.gz UNJKZNVIMUNEMM-ZFWWWQNUSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1C[C@H]([N@@H+]2CCC[NH2+]C[C@@H]2C)CC(C)(C)C1 ZINC001246569939 972831200 /nfs/dbraw/zinc/83/12/00/972831200.db2.gz GJTOQIAJNZIDNA-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@H]([N@H+]2CCC[NH2+]C[C@@H]2C)CC(C)(C)C1 ZINC001246569939 972831201 /nfs/dbraw/zinc/83/12/01/972831201.db2.gz GJTOQIAJNZIDNA-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246866322 973223041 /nfs/dbraw/zinc/22/30/41/973223041.db2.gz JGJUAVCVZVZYCA-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCC[NH2+]C1 ZINC001246866322 973223059 /nfs/dbraw/zinc/22/30/59/973223059.db2.gz JGJUAVCVZVZYCA-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC001246907153 973403276 /nfs/dbraw/zinc/40/32/76/973403276.db2.gz ILITXWSJKMEVBR-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC001246907153 973403279 /nfs/dbraw/zinc/40/32/79/973403279.db2.gz ILITXWSJKMEVBR-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC001246907151 973408452 /nfs/dbraw/zinc/40/84/52/973408452.db2.gz ILITXWSJKMEVBR-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC001246907151 973408463 /nfs/dbraw/zinc/40/84/63/973408463.db2.gz ILITXWSJKMEVBR-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP CCCCC(CCCC)[N@@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246916581 973468310 /nfs/dbraw/zinc/46/83/10/973468310.db2.gz IOWWRMUNABEQQN-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC(CCCC)[N@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246916581 973468331 /nfs/dbraw/zinc/46/83/31/973468331.db2.gz IOWWRMUNABEQQN-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+]1C(C)(C)CC([NH2+]C2(CF)CC2)CC1(C)C ZINC001171613766 974112030 /nfs/dbraw/zinc/11/20/30/974112030.db2.gz PLTYFQZLBFIJKT-UHFFFAOYSA-N 2 2 242.382 2.730 20 0 BFADLP CC[C@H](C)OCC[C@@H](C)[NH2+]CC[NH+](CC)CC ZINC001172316422 974525353 /nfs/dbraw/zinc/52/53/53/974525353.db2.gz NYGVTSZVJZAWAT-KGLIPLIRSA-N 2 2 244.423 2.512 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC001172368733 974649231 /nfs/dbraw/zinc/64/92/31/974649231.db2.gz XZPBAMOUGCLMNT-NFAWXSAZSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC001172368733 974649233 /nfs/dbraw/zinc/64/92/33/974649233.db2.gz XZPBAMOUGCLMNT-NFAWXSAZSA-N 2 2 238.419 2.837 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)CCOC(C)C ZINC001172433166 974718274 /nfs/dbraw/zinc/71/82/74/974718274.db2.gz GYQSSRCKNGZYHT-AWEZNQCLSA-N 2 2 244.423 2.512 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)CCOC(C)C ZINC001172433166 974718282 /nfs/dbraw/zinc/71/82/82/974718282.db2.gz GYQSSRCKNGZYHT-AWEZNQCLSA-N 2 2 244.423 2.512 20 0 BFADLP CCc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+](C)C)cc1 ZINC001173240179 975165141 /nfs/dbraw/zinc/16/51/41/975165141.db2.gz WKTWSLQBWYWLPT-ZIAGYGMSSA-N 2 2 248.414 2.720 20 0 BFADLP CCSC[C@@H](C)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001173305037 975211111 /nfs/dbraw/zinc/21/11/11/975211111.db2.gz KRYMHSNWGBCWKH-GFCCVEGCSA-N 2 2 244.448 2.544 20 0 BFADLP CCSC[C@@H](C)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001173305037 975211127 /nfs/dbraw/zinc/21/11/27/975211127.db2.gz KRYMHSNWGBCWKH-GFCCVEGCSA-N 2 2 244.448 2.544 20 0 BFADLP CC[NH+](CC)C[C@H](C)Oc1c(C)cc[nH+]c1C ZINC001227261319 975336091 /nfs/dbraw/zinc/33/60/91/975336091.db2.gz ZFKHIHUIJJNQRA-LBPRGKRZSA-N 2 2 236.359 2.808 20 0 BFADLP COc1cc(Nc2ccc(C[NH3+])cc2)cc(C)[nH+]1 ZINC001175965870 977835727 /nfs/dbraw/zinc/83/57/27/977835727.db2.gz JNYDGFNBOWRLLY-UHFFFAOYSA-N 2 2 243.310 2.601 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1F ZINC001232010774 977840926 /nfs/dbraw/zinc/84/09/26/977840926.db2.gz ADXBQROCJICKCW-ZWNOBZJWSA-N 2 2 247.317 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2cc3c[nH+]ccc3[nH]2)C[C@H]1F ZINC001232010774 977840932 /nfs/dbraw/zinc/84/09/32/977840932.db2.gz ADXBQROCJICKCW-ZWNOBZJWSA-N 2 2 247.317 2.743 20 0 BFADLP Cc1cc(Nc2cccn3cc[nH+]c23)cc(C)[nH+]1 ZINC001176054644 977902573 /nfs/dbraw/zinc/90/25/73/977902573.db2.gz KIFNRSZCEDRCID-UHFFFAOYSA-N 2 2 238.294 2.512 20 0 BFADLP Cc1cc(F)cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC001336982475 978103313 /nfs/dbraw/zinc/10/33/13/978103313.db2.gz FCCLSAQNUMATPB-STQMWFEESA-N 2 2 249.333 2.568 20 0 BFADLP Cc1cc(F)cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC001336982475 978103324 /nfs/dbraw/zinc/10/33/24/978103324.db2.gz FCCLSAQNUMATPB-STQMWFEESA-N 2 2 249.333 2.568 20 0 BFADLP Cc1cc(F)cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC001336982474 978106777 /nfs/dbraw/zinc/10/67/77/978106777.db2.gz FCCLSAQNUMATPB-QWHCGFSZSA-N 2 2 249.333 2.568 20 0 BFADLP Cc1cc(F)cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC001336982474 978106785 /nfs/dbraw/zinc/10/67/85/978106785.db2.gz FCCLSAQNUMATPB-QWHCGFSZSA-N 2 2 249.333 2.568 20 0 BFADLP Cc1ccc(C[NH+]2CCC([NH+]3CCC3)CC2)cc1 ZINC001204174042 978110870 /nfs/dbraw/zinc/11/08/70/978110870.db2.gz PZRFFODJESPJNL-UHFFFAOYSA-N 2 2 244.382 2.665 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC001177548946 978392301 /nfs/dbraw/zinc/39/23/01/978392301.db2.gz XZGHJVBWAYLBAW-RRFJBIMHSA-N 2 2 238.419 2.885 20 0 BFADLP CC/C=C\CCCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038008 978958919 /nfs/dbraw/zinc/95/89/19/978958919.db2.gz LENKTCKHMCHURG-VUBDOFJKSA-N 2 2 236.403 2.949 20 0 BFADLP CC/C=C\CCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038008 978958924 /nfs/dbraw/zinc/95/89/24/978958924.db2.gz LENKTCKHMCHURG-VUBDOFJKSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)=CCC[C@@H](C)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212957 979000105 /nfs/dbraw/zinc/00/01/05/979000105.db2.gz GSKROVIPQCRQLR-RBSFLKMASA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)=CCC[C@@H](C)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212957 979000109 /nfs/dbraw/zinc/00/01/09/979000109.db2.gz GSKROVIPQCRQLR-RBSFLKMASA-N 2 2 236.403 2.663 20 0 BFADLP CC[NH2+]CC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC001235960320 979228057 /nfs/dbraw/zinc/22/80/57/979228057.db2.gz RYTOSNQODCXRHQ-AWEZNQCLSA-N 2 2 220.360 2.679 20 0 BFADLP CC[NH2+]CC[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC001235960320 979228069 /nfs/dbraw/zinc/22/80/69/979228069.db2.gz RYTOSNQODCXRHQ-AWEZNQCLSA-N 2 2 220.360 2.679 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001235959878 979229514 /nfs/dbraw/zinc/22/95/14/979229514.db2.gz MJKANGQSFPPIRP-MRXNPFEDSA-N 2 2 246.398 2.866 20 0 BFADLP CC[NH2+]CC[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC001235959878 979229526 /nfs/dbraw/zinc/22/95/26/979229526.db2.gz MJKANGQSFPPIRP-MRXNPFEDSA-N 2 2 246.398 2.866 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235982403 979257699 /nfs/dbraw/zinc/25/76/99/979257699.db2.gz VFTIOQFONRZNEL-HZPDHXFCSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235982403 979257705 /nfs/dbraw/zinc/25/77/05/979257705.db2.gz VFTIOQFONRZNEL-HZPDHXFCSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235982402 979263223 /nfs/dbraw/zinc/26/32/23/979263223.db2.gz VFTIOQFONRZNEL-HOTGVXAUSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235982402 979263238 /nfs/dbraw/zinc/26/32/38/979263238.db2.gz VFTIOQFONRZNEL-HOTGVXAUSA-N 2 2 244.382 2.733 20 0 BFADLP C[C@H]1Cc2ccccc2C[N@@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236071247 979355732 /nfs/dbraw/zinc/35/57/32/979355732.db2.gz HPWMUASVIXQQCV-BBRMVZONSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@H]1Cc2ccccc2C[N@H+]1C[C@@H]1CCCC[NH2+]1 ZINC001236071247 979355739 /nfs/dbraw/zinc/35/57/39/979355739.db2.gz HPWMUASVIXQQCV-BBRMVZONSA-N 2 2 244.382 2.575 20 0 BFADLP CCCCc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001236092735 979384951 /nfs/dbraw/zinc/38/49/51/979384951.db2.gz BYMVDLDWAYDZRH-CJNGLKHVSA-N 2 2 246.398 2.808 20 0 BFADLP CCCCc1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC001236092735 979384961 /nfs/dbraw/zinc/38/49/61/979384961.db2.gz BYMVDLDWAYDZRH-CJNGLKHVSA-N 2 2 246.398 2.808 20 0 BFADLP Cc1csc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236206943 979449623 /nfs/dbraw/zinc/44/96/23/979449623.db2.gz MGLALAPTCZBXLA-CYBMUJFWSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1csc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236206943 979449627 /nfs/dbraw/zinc/44/96/27/979449627.db2.gz MGLALAPTCZBXLA-CYBMUJFWSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1csc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236206944 979449702 /nfs/dbraw/zinc/44/97/02/979449702.db2.gz MGLALAPTCZBXLA-ZDUSSCGKSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1csc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236206944 979449706 /nfs/dbraw/zinc/44/97/06/979449706.db2.gz MGLALAPTCZBXLA-ZDUSSCGKSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1cccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1C ZINC001236202312 979450323 /nfs/dbraw/zinc/45/03/23/979450323.db2.gz QFCUNDKBLYPZFF-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1C ZINC001236202312 979450333 /nfs/dbraw/zinc/45/03/33/979450333.db2.gz QFCUNDKBLYPZFF-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP [NH3+][C@H](C[N@@H+]1CCCC2(CCC2)C1)c1ccccc1 ZINC001236322724 979538687 /nfs/dbraw/zinc/53/86/87/979538687.db2.gz SKCJYBRLCUYTDC-OAHLLOKOSA-N 2 2 244.382 2.953 20 0 BFADLP [NH3+][C@H](C[N@H+]1CCCC2(CCC2)C1)c1ccccc1 ZINC001236322724 979538700 /nfs/dbraw/zinc/53/87/00/979538700.db2.gz SKCJYBRLCUYTDC-OAHLLOKOSA-N 2 2 244.382 2.953 20 0 BFADLP Cc1ccc(-c2cccc(C[NH+](C)C)c2)[nH+]c1N ZINC001236415718 979587560 /nfs/dbraw/zinc/58/75/60/979587560.db2.gz HNDCVRHVDGDKAN-UHFFFAOYSA-N 2 2 241.338 2.701 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc2ccoc21 ZINC001236421524 979589890 /nfs/dbraw/zinc/58/98/90/979589890.db2.gz JUPFMCZGXSCDEU-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc2ccoc21 ZINC001236421524 979589895 /nfs/dbraw/zinc/58/98/95/979589895.db2.gz JUPFMCZGXSCDEU-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c1 ZINC001236417821 979593159 /nfs/dbraw/zinc/59/31/59/979593159.db2.gz DAFSWOZCBNBXNV-SWLSCSKDSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)c1 ZINC001236417821 979593163 /nfs/dbraw/zinc/59/31/63/979593163.db2.gz DAFSWOZCBNBXNV-SWLSCSKDSA-N 2 2 232.371 2.561 20 0 BFADLP CCCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203493 979844934 /nfs/dbraw/zinc/84/49/34/979844934.db2.gz HJYJIODMBSILFK-CJNGLKHVSA-N 2 2 246.398 2.951 20 0 BFADLP CCCCc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203493 979844938 /nfs/dbraw/zinc/84/49/38/979844938.db2.gz HJYJIODMBSILFK-CJNGLKHVSA-N 2 2 246.398 2.951 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203468 979846076 /nfs/dbraw/zinc/84/60/76/979846076.db2.gz GWUSYMRXQOPOEC-DOMZBBRYSA-N 2 2 232.371 2.561 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC001237203468 979846085 /nfs/dbraw/zinc/84/60/85/979846085.db2.gz GWUSYMRXQOPOEC-DOMZBBRYSA-N 2 2 232.371 2.561 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001237203983 979846472 /nfs/dbraw/zinc/84/64/72/979846472.db2.gz PGVUNYLZCSACCM-DOMZBBRYSA-N 2 2 246.398 2.906 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001237203983 979846477 /nfs/dbraw/zinc/84/64/77/979846477.db2.gz PGVUNYLZCSACCM-DOMZBBRYSA-N 2 2 246.398 2.906 20 0 BFADLP CC1(C)CC[N@H+](CC[NH2+]CC2(C)CCCC2)C1 ZINC001184264698 979993481 /nfs/dbraw/zinc/99/34/81/979993481.db2.gz HRTIOWCPGUFSAL-UHFFFAOYSA-N 2 2 238.419 2.888 20 0 BFADLP CC1(C)CC[N@@H+](CC[NH2+]CC2(C)CCCC2)C1 ZINC001184264698 979993487 /nfs/dbraw/zinc/99/34/87/979993487.db2.gz HRTIOWCPGUFSAL-UHFFFAOYSA-N 2 2 238.419 2.888 20 0 BFADLP c1[nH+]cn2c1cccc2C[NH+]1CC2(C1)CCCC2 ZINC001238107412 980154589 /nfs/dbraw/zinc/15/45/89/980154589.db2.gz QAQINYXOHRRUIE-UHFFFAOYSA-N 2 2 241.338 2.710 20 0 BFADLP [NH3+]CCc1ccccc1-c1ccc2[nH+]ccn2c1 ZINC001240218252 981167853 /nfs/dbraw/zinc/16/78/53/981167853.db2.gz HYZZIYCZRZGFOY-UHFFFAOYSA-N 2 2 237.306 2.503 20 0 BFADLP CC(C)[C@H]1CCCCC[N@@H+]1CCc1c[nH+]cn1C ZINC001192654182 981177295 /nfs/dbraw/zinc/17/72/95/981177295.db2.gz WDCMXXYZPVLODK-OAHLLOKOSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)[C@H]1CCCCC[N@H+]1CCc1c[nH+]cn1C ZINC001192654182 981177300 /nfs/dbraw/zinc/17/73/00/981177300.db2.gz WDCMXXYZPVLODK-OAHLLOKOSA-N 2 2 249.402 2.863 20 0 BFADLP [NH3+][C@H]1CCc2ccc(-c3ccn4cc[nH+]c4c3)cc21 ZINC001240518249 981447416 /nfs/dbraw/zinc/44/74/16/981447416.db2.gz MPEKUKXIBQTIDB-HNNXBMFYSA-N 2 2 249.317 2.947 20 0 BFADLP Nc1cc(-c2ccccc2C2([NH3+])CCC2)cc[nH+]1 ZINC001241169746 982310480 /nfs/dbraw/zinc/31/04/80/982310480.db2.gz AQEGWCCGUPOSLP-UHFFFAOYSA-N 2 2 239.322 2.669 20 0 BFADLP CCc1ccc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)[nH+]c1 ZINC001354119641 983164176 /nfs/dbraw/zinc/16/41/76/983164176.db2.gz JHFDANHRJYMYPH-WCQYABFASA-N 2 2 233.359 2.539 20 0 BFADLP CCc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[nH+]c1 ZINC001354119641 983164180 /nfs/dbraw/zinc/16/41/80/983164180.db2.gz JHFDANHRJYMYPH-WCQYABFASA-N 2 2 233.359 2.539 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)C[C@H]1CC=CCC1 ZINC001201428005 983227222 /nfs/dbraw/zinc/22/72/22/983227222.db2.gz PFVABQWILCTDIM-AWEZNQCLSA-N 2 2 233.359 2.561 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)C[C@H]1CC=CCC1 ZINC001201428005 983227231 /nfs/dbraw/zinc/22/72/31/983227231.db2.gz PFVABQWILCTDIM-AWEZNQCLSA-N 2 2 233.359 2.561 20 0 BFADLP CC(C)[N@H+](CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001201447851 983248062 /nfs/dbraw/zinc/24/80/62/983248062.db2.gz TTXVQKVIELGVLJ-UHFFFAOYSA-N 2 2 226.408 2.837 20 0 BFADLP CC(C)[N@@H+](CC(C)(C)C)C1CC[NH+](C)CC1 ZINC001201447851 983248073 /nfs/dbraw/zinc/24/80/73/983248073.db2.gz TTXVQKVIELGVLJ-UHFFFAOYSA-N 2 2 226.408 2.837 20 0 BFADLP CCCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201723310 983428370 /nfs/dbraw/zinc/42/83/70/983428370.db2.gz XEMLUMYKNYZSLV-UHFFFAOYSA-N 2 2 212.381 2.591 20 0 BFADLP CCCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201723310 983428375 /nfs/dbraw/zinc/42/83/75/983428375.db2.gz XEMLUMYKNYZSLV-UHFFFAOYSA-N 2 2 212.381 2.591 20 0 BFADLP C[NH+]1CCC([N@H+](CC2CC2)C2CCCC2)CC1 ZINC001201952387 983519866 /nfs/dbraw/zinc/51/98/66/983519866.db2.gz OGPNRANEPJMNMB-UHFFFAOYSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC([N@@H+](CC2CC2)C2CCCC2)CC1 ZINC001201952387 983519870 /nfs/dbraw/zinc/51/98/70/983519870.db2.gz OGPNRANEPJMNMB-UHFFFAOYSA-N 2 2 236.403 2.735 20 0 BFADLP CCc1[nH]c(C[N@@H+]2CCCCC23CC3)c(C)[nH+]1 ZINC001203247304 983631756 /nfs/dbraw/zinc/63/17/56/983631756.db2.gz ZCDXVGZEOOEVOE-UHFFFAOYSA-N 2 2 233.359 2.799 20 0 BFADLP CCc1[nH]c(C[N@H+]2CCCCC23CC3)c(C)[nH+]1 ZINC001203247304 983631761 /nfs/dbraw/zinc/63/17/61/983631761.db2.gz ZCDXVGZEOOEVOE-UHFFFAOYSA-N 2 2 233.359 2.799 20 0 BFADLP Cc1cc(-c2ccc3c(c2)C[NH2+]C3)c2[nH+]ccn2c1 ZINC001242676899 984044697 /nfs/dbraw/zinc/04/46/97/984044697.db2.gz WUZLXGOSJRWKFD-UHFFFAOYSA-N 2 2 249.317 2.913 20 0 BFADLP C/C=C(\C)c1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001242760055 984123397 /nfs/dbraw/zinc/12/33/97/984123397.db2.gz JNTUVYQLBWLFGU-RRIZPTRRSA-N 2 2 230.355 2.643 20 0 BFADLP C/C=C(\C)c1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001242760055 984123406 /nfs/dbraw/zinc/12/34/06/984123406.db2.gz JNTUVYQLBWLFGU-RRIZPTRRSA-N 2 2 230.355 2.643 20 0 BFADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccco3)C2)C1 ZINC001275235446 984525621 /nfs/dbraw/zinc/52/56/21/984525621.db2.gz WVXAMBYPXDYMBT-OAHLLOKOSA-N 2 2 248.370 2.587 20 0 BFADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccco3)C2)C1 ZINC001275235446 984525636 /nfs/dbraw/zinc/52/56/36/984525636.db2.gz WVXAMBYPXDYMBT-OAHLLOKOSA-N 2 2 248.370 2.587 20 0 BFADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccco3)C2)C1 ZINC001275235446 984525649 /nfs/dbraw/zinc/52/56/49/984525649.db2.gz WVXAMBYPXDYMBT-OAHLLOKOSA-N 2 2 248.370 2.587 20 0 BFADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccco3)C2)C1 ZINC001275235446 984525661 /nfs/dbraw/zinc/52/56/61/984525661.db2.gz WVXAMBYPXDYMBT-OAHLLOKOSA-N 2 2 248.370 2.587 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC001577887201 984814991 /nfs/dbraw/zinc/81/49/91/984814991.db2.gz SRGZSGCCUGKUJN-GFCCVEGCSA-N 2 2 245.370 2.564 20 0 BFADLP c1cn2cc(C[NH2+]C3CCCCC3)ccc2[nH+]1 ZINC001257454411 985050665 /nfs/dbraw/zinc/05/06/65/985050665.db2.gz SNXWPLSBOBSDQY-UHFFFAOYSA-N 2 2 229.327 2.757 20 0 BFADLP Cc1ccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c(F)c1 ZINC000686499238 985122230 /nfs/dbraw/zinc/12/22/30/985122230.db2.gz VAPDRABGSIXYIZ-GFCCVEGCSA-N 2 2 238.350 2.564 20 0 BFADLP Cc1[nH]c2ccc(C=CC3CC[NH2+]CC3)cc2[nH+]1 ZINC001243894567 985573264 /nfs/dbraw/zinc/57/32/64/985573264.db2.gz ZKQCRGNKUVCWKA-NSCUHMNNSA-N 2 2 241.338 2.884 20 0 BFADLP Cn1c[nH+]cc1-c1cccc(C2=C[NH2+]CCC2)c1 ZINC001243951481 985656512 /nfs/dbraw/zinc/65/65/12/985656512.db2.gz IQYHDTIEWUUNRW-UHFFFAOYSA-N 2 2 239.322 2.811 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001258813364 986272924 /nfs/dbraw/zinc/27/29/24/986272924.db2.gz KBIGPNYJZIBVPP-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001258813364 986272940 /nfs/dbraw/zinc/27/29/40/986272940.db2.gz KBIGPNYJZIBVPP-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258818046 986280040 /nfs/dbraw/zinc/28/00/40/986280040.db2.gz FVCRFSXBAHVAKQ-YPMHNXCESA-N 2 2 233.359 2.586 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CCC[C@@H](C)C1)C2 ZINC001258818046 986280053 /nfs/dbraw/zinc/28/00/53/986280053.db2.gz FVCRFSXBAHVAKQ-YPMHNXCESA-N 2 2 233.359 2.586 20 0 BFADLP CNc1cc(-c2ccc3c(c2)[C@H]([NH3+])CC3)cc[nH+]1 ZINC001244977918 986565267 /nfs/dbraw/zinc/56/52/67/986565267.db2.gz MZKILVYPGURPHR-CQSZACIVSA-N 2 2 239.322 2.736 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000381611055 986739935 /nfs/dbraw/zinc/73/99/35/986739935.db2.gz SISQLOWEDDYRJD-MCIONIFRSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)C1 ZINC000381611055 986739941 /nfs/dbraw/zinc/73/99/41/986739941.db2.gz SISQLOWEDDYRJD-MCIONIFRSA-N 2 2 224.392 2.637 20 0 BFADLP CC[N@H+](C)C1CC[NH+](Cc2[nH]c(C)cc2C)CC1 ZINC001137332157 986789893 /nfs/dbraw/zinc/78/98/93/986789893.db2.gz ITOZHWJVKUGNRD-UHFFFAOYSA-N 2 2 249.402 2.548 20 0 BFADLP CC[N@@H+](C)C1CC[NH+](Cc2[nH]c(C)cc2C)CC1 ZINC001137332157 986789905 /nfs/dbraw/zinc/78/99/05/986789905.db2.gz ITOZHWJVKUGNRD-UHFFFAOYSA-N 2 2 249.402 2.548 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001255316913 986909444 /nfs/dbraw/zinc/90/94/44/986909444.db2.gz HXZKMKBSKXUIOI-OLZOCXBDSA-N 2 2 224.392 2.782 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001255316913 986909454 /nfs/dbraw/zinc/90/94/54/986909454.db2.gz HXZKMKBSKXUIOI-OLZOCXBDSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]Cc2cccc3ccccc32)C[NH2+]1 ZINC001246064061 987354237 /nfs/dbraw/zinc/35/42/37/987354237.db2.gz FSDKTFHBDCWDAT-IUODEOHRSA-N 2 2 240.350 2.680 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])c2ccccc2)C1 ZINC001246081969 987378028 /nfs/dbraw/zinc/37/80/28/987378028.db2.gz UCWFPWVSRDHBSD-SNPRPXQTSA-N 2 2 232.371 2.855 20 0 BFADLP CCCCC[C@H](CC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246088496 987391127 /nfs/dbraw/zinc/39/11/27/987391127.db2.gz UYPASPLKWHDRBE-RWMBFGLXSA-N 2 2 230.371 2.635 20 0 BFADLP CCCC[C@H](CC(C)C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246114197 987452694 /nfs/dbraw/zinc/45/26/94/987452694.db2.gz VESOMZWMDXDBAQ-MCIONIFRSA-N 2 2 244.398 2.881 20 0 BFADLP CCCCCC[C@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246114759 987453289 /nfs/dbraw/zinc/45/32/89/987453289.db2.gz WAWKIQYDSILAEI-XQQFMLRXSA-N 2 2 230.371 2.635 20 0 BFADLP CCCC[C@H](CCC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246114331 987454107 /nfs/dbraw/zinc/45/41/07/987454107.db2.gz VJSOYQZZMXQULK-AGIUHOORSA-N 2 2 230.371 2.635 20 0 BFADLP CCCCCC[C@@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246114757 987454348 /nfs/dbraw/zinc/45/43/48/987454348.db2.gz WAWKIQYDSILAEI-UPJWGTAASA-N 2 2 230.371 2.635 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCCC2)C[NH2+]1 ZINC001246180700 987556589 /nfs/dbraw/zinc/55/65/89/987556589.db2.gz RFJRRWREWAQOKW-DZGCQCFKSA-N 2 2 244.382 2.796 20 0 BFADLP CCCCC[C@@H](CCC)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246218604 987616933 /nfs/dbraw/zinc/61/69/33/987616933.db2.gz BYLKMJGCAKXQPQ-APIJFGDWSA-N 2 2 238.419 2.933 20 0 BFADLP c1ccc(C2([NH2+][C@@H]3CC[NH2+]C3)CCCCC2)cc1 ZINC001246230501 987630312 /nfs/dbraw/zinc/63/03/12/987630312.db2.gz MZFWAQPQJVTOEC-OAHLLOKOSA-N 2 2 244.382 2.798 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC2)C[NH2+]1 ZINC001246309480 987708664 /nfs/dbraw/zinc/70/86/64/987708664.db2.gz CDBSXIMBRFSOKB-DZGCQCFKSA-N 2 2 244.382 2.796 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+][C@@H](C)C2)cc1C ZINC001246307798 987709701 /nfs/dbraw/zinc/70/97/01/987709701.db2.gz OPGZQQFUGHFLDB-KCQAQPDRSA-N 2 2 232.371 2.704 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C[NH2+]1 ZINC001246313772 987715156 /nfs/dbraw/zinc/71/51/56/987715156.db2.gz LCTFNDAVZOUGMG-PSOPSSQASA-N 2 2 248.345 2.543 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc3ccoc3c2)C[NH2+]1 ZINC001246330921 987739316 /nfs/dbraw/zinc/73/93/16/987739316.db2.gz ZZOWGRKINLJMNJ-FZMZJTMJSA-N 2 2 244.338 2.663 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C)cc1C ZINC001246378555 987775680 /nfs/dbraw/zinc/77/56/80/987775680.db2.gz WWWVJXCOMLAUEQ-DZGCQCFKSA-N 2 2 232.371 2.706 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+][C@H](C[NH3+])c2ccccc2)C1 ZINC001246508280 987862319 /nfs/dbraw/zinc/86/23/19/987862319.db2.gz UCWFPWVSRDHBSD-AEGPPILISA-N 2 2 232.371 2.855 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+]2CCc3ccccc3[C@H]2C)C[NH2+]1 ZINC001246544880 987916881 /nfs/dbraw/zinc/91/68/81/987916881.db2.gz DAYGAUYLLIVDMG-NFAWXSAZSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+]2CCc3ccccc3[C@H]2C)C[NH2+]1 ZINC001246544880 987916889 /nfs/dbraw/zinc/91/68/89/987916889.db2.gz DAYGAUYLLIVDMG-NFAWXSAZSA-N 2 2 244.382 2.746 20 0 BFADLP C[NH2+][C@@H](C)CC[NH2+]Cc1cc(Cl)ccc1F ZINC001117953653 987969439 /nfs/dbraw/zinc/96/94/39/987969439.db2.gz KSHFMLLHFFTCMM-VIFPVBQESA-N 2 2 244.741 2.567 20 0 BFADLP CC(C)CC(CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246565000 988015750 /nfs/dbraw/zinc/01/57/50/988015750.db2.gz OISMXVZZBQSSEL-ZIAGYGMSSA-N 2 2 244.398 2.818 20 0 BFADLP CC(C)CC(CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246565000 988015753 /nfs/dbraw/zinc/01/57/53/988015753.db2.gz OISMXVZZBQSSEL-ZIAGYGMSSA-N 2 2 244.398 2.818 20 0 BFADLP CCCC[C@H](CCC)[N@@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246583649 988123292 /nfs/dbraw/zinc/12/32/92/988123292.db2.gz KHAXCQPLCANLLX-UPJWGTAASA-N 2 2 230.371 2.716 20 0 BFADLP CCCC[C@H](CCC)[N@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246583649 988123295 /nfs/dbraw/zinc/12/32/95/988123295.db2.gz KHAXCQPLCANLLX-UPJWGTAASA-N 2 2 230.371 2.716 20 0 BFADLP CC(C)CC(CC(C)C)[N@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246588423 988157704 /nfs/dbraw/zinc/15/77/04/988157704.db2.gz VYVJVGBFZKLQFZ-OLZOCXBDSA-N 2 2 244.398 2.818 20 0 BFADLP CC(C)CC(CC(C)C)[N@@H+]1C[C@H](F)C[C@H]([NH3+])C1 ZINC001246588423 988157710 /nfs/dbraw/zinc/15/77/10/988157710.db2.gz VYVJVGBFZKLQFZ-OLZOCXBDSA-N 2 2 244.398 2.818 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246588796 988161406 /nfs/dbraw/zinc/16/14/06/988161406.db2.gz XYAYFBPQRXTJDZ-CYDGBPFRSA-N 2 2 230.371 2.572 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001246588796 988161412 /nfs/dbraw/zinc/16/14/12/988161412.db2.gz XYAYFBPQRXTJDZ-CYDGBPFRSA-N 2 2 230.371 2.572 20 0 BFADLP C[C@H]1C[N@@H+]([C@@H]2CC[C@H](C)[NH2+]C2)Cc2ccccc21 ZINC001246597417 988200635 /nfs/dbraw/zinc/20/06/35/988200635.db2.gz LZIVTDCYZCXGKN-KCQAQPDRSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@H]1C[N@H+]([C@@H]2CC[C@H](C)[NH2+]C2)Cc2ccccc21 ZINC001246597417 988200644 /nfs/dbraw/zinc/20/06/44/988200644.db2.gz LZIVTDCYZCXGKN-KCQAQPDRSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3C[C@@H]2C)C[NH2+]1 ZINC001246867818 988628167 /nfs/dbraw/zinc/62/81/67/988628167.db2.gz JUZCCSKUGAGHSY-WWGRRREGSA-N 2 2 244.382 2.574 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3C[C@@H]2C)C[NH2+]1 ZINC001246867818 988628180 /nfs/dbraw/zinc/62/81/80/988628180.db2.gz JUZCCSKUGAGHSY-WWGRRREGSA-N 2 2 244.382 2.574 20 0 BFADLP CC[C@H](C)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246981717 988808391 /nfs/dbraw/zinc/80/83/91/988808391.db2.gz XODPVMRMGHYRRK-GXTWGEPZSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@H](C)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001246981717 988808398 /nfs/dbraw/zinc/80/83/98/988808398.db2.gz XODPVMRMGHYRRK-GXTWGEPZSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H](C[NH2+]C1CCC2(CCC2)CC1)[NH+](C)C ZINC001308409441 990989751 /nfs/dbraw/zinc/98/97/51/990989751.db2.gz ZXPFHECAZDGUJY-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cn([C@H]2C[C@H](C)C[C@H](C)C2)c1CC[NH3+] ZINC001258151271 991031352 /nfs/dbraw/zinc/03/13/52/991031352.db2.gz HVMGONNVMHQYCS-PJXYFTJBSA-N 2 2 235.375 2.690 20 0 BFADLP C1[C@@H]2CCC[C@@H]2[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001308839020 991169316 /nfs/dbraw/zinc/16/93/16/991169316.db2.gz AEQIZJNCWGCEMF-UVPYHEFZSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2CCC[C@@H]2[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001308839020 991169325 /nfs/dbraw/zinc/16/93/25/991169325.db2.gz AEQIZJNCWGCEMF-UVPYHEFZSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CCCC(C)(C)C1)C2 ZINC001258285537 991221681 /nfs/dbraw/zinc/22/16/81/991221681.db2.gz NAKGSHBLFVCRMY-ZDUSSCGKSA-N 2 2 247.386 2.976 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CCCC(C)(C)C1)C2 ZINC001258285537 991221695 /nfs/dbraw/zinc/22/16/95/991221695.db2.gz NAKGSHBLFVCRMY-ZDUSSCGKSA-N 2 2 247.386 2.976 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC001560536131 991496421 /nfs/dbraw/zinc/49/64/21/991496421.db2.gz YOYHHCDYTWVPSW-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC001560536131 991496425 /nfs/dbraw/zinc/49/64/25/991496425.db2.gz YOYHHCDYTWVPSW-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](Cc1ccccc1)n1cc[nH+]c1CC[NH3+] ZINC001258838471 991873202 /nfs/dbraw/zinc/87/32/02/991873202.db2.gz YVYIOORNMBBRMB-CQSZACIVSA-N 2 2 243.354 2.578 20 0 BFADLP C[C@]1([NH2+][C@H]2CCC[NH2+]C2)CCCc2ccccc21 ZINC001573625065 992654296 /nfs/dbraw/zinc/65/42/96/992654296.db2.gz HFXXYYIKXWSWKE-HOCLYGCPSA-N 2 2 244.382 2.580 20 0 BFADLP CC1(C)C[N@H+](Cc2cccc3ccoc32)C[C@H]1[NH3+] ZINC001576457959 993312596 /nfs/dbraw/zinc/31/25/96/993312596.db2.gz RAQFXKMYCGETTJ-CYBMUJFWSA-N 2 2 244.338 2.602 20 0 BFADLP CC1(C)C[N@@H+](Cc2cccc3ccoc32)C[C@H]1[NH3+] ZINC001576457959 993312605 /nfs/dbraw/zinc/31/26/05/993312605.db2.gz RAQFXKMYCGETTJ-CYBMUJFWSA-N 2 2 244.338 2.602 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1C ZINC000381384584 993391255 /nfs/dbraw/zinc/39/12/55/993391255.db2.gz QFDHRMHNOMOCQR-UKRRQHHQSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1C ZINC000381384584 993391260 /nfs/dbraw/zinc/39/12/60/993391260.db2.gz QFDHRMHNOMOCQR-UKRRQHHQSA-N 2 2 232.371 2.615 20 0 BFADLP C[C@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000381526769 993404823 /nfs/dbraw/zinc/40/48/23/993404823.db2.gz ZEXMDYSLNIUNHX-BLLLJJGKSA-N 2 2 244.382 2.876 20 0 BFADLP C[C@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000381526769 993404828 /nfs/dbraw/zinc/40/48/28/993404828.db2.gz ZEXMDYSLNIUNHX-BLLLJJGKSA-N 2 2 244.382 2.876 20 0 BFADLP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cs1 ZINC000390514584 993790354 /nfs/dbraw/zinc/79/03/54/993790354.db2.gz CCLPZPBDERQZDS-MFKMUULPSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])cs1 ZINC000390514584 993790363 /nfs/dbraw/zinc/79/03/63/993790363.db2.gz CCLPZPBDERQZDS-MFKMUULPSA-N 2 2 238.400 2.616 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000149330995 192026354 /nfs/dbraw/zinc/02/63/54/192026354.db2.gz LXMQOJKTINRSSG-OLZOCXBDSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188538 349500825 /nfs/dbraw/zinc/50/08/25/349500825.db2.gz CEPUJKUTXYPVTL-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188538 349500829 /nfs/dbraw/zinc/50/08/29/349500829.db2.gz CEPUJKUTXYPVTL-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP C(C1CCCC1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188581 349500915 /nfs/dbraw/zinc/50/09/15/349500915.db2.gz WJVGFYYSERLWHF-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCCC1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188581 349500920 /nfs/dbraw/zinc/50/09/20/349500920.db2.gz WJVGFYYSERLWHF-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422941900 398159391 /nfs/dbraw/zinc/15/93/91/398159391.db2.gz VYMSABXLXXOGJM-VBNZEHGJSA-N 2 2 244.382 2.712 20 0 BFADLP Cc1cc[nH+]cc1Cn1c[nH+]c2c1CCCC2 ZINC000336270054 398156119 /nfs/dbraw/zinc/15/61/19/398156119.db2.gz GJDDUUXNSLVVHL-UHFFFAOYSA-N 2 2 227.311 2.514 20 0 BFADLP Cc1cc(C[NH2+]CC[NH2+]C(C)(C)C)ccc1F ZINC000228726129 178021077 /nfs/dbraw/zinc/02/10/77/178021077.db2.gz IMZCFDXJWAIJGO-UHFFFAOYSA-N 2 2 238.350 2.612 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000335550934 178033419 /nfs/dbraw/zinc/03/34/19/178033419.db2.gz QVYSJYSRTXKBKL-GXFFZTMASA-N 2 2 238.400 2.629 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000335550934 178033422 /nfs/dbraw/zinc/03/34/22/178033422.db2.gz QVYSJYSRTXKBKL-GXFFZTMASA-N 2 2 238.400 2.629 20 0 BFADLP [NH3+][C@@H](C[NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC000423233239 398165269 /nfs/dbraw/zinc/16/52/69/398165269.db2.gz DEPPIJGOIPFVDM-UONOGXRCSA-N 2 2 230.355 2.609 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2(C3CCC3)CCC2)C1 ZINC000414174513 398219479 /nfs/dbraw/zinc/21/94/79/398219479.db2.gz HRCMHCZRSWSVDA-OCCSQVGLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2(C3CCC3)CCC2)C1 ZINC000414174513 398219481 /nfs/dbraw/zinc/21/94/81/398219481.db2.gz HRCMHCZRSWSVDA-OCCSQVGLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2(C3CCC3)CCC2)C1 ZINC000414174516 398219494 /nfs/dbraw/zinc/21/94/94/398219494.db2.gz HRCMHCZRSWSVDA-TZMCWYRMSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2(C3CCC3)CCC2)C1 ZINC000414174516 398219496 /nfs/dbraw/zinc/21/94/96/398219496.db2.gz HRCMHCZRSWSVDA-TZMCWYRMSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426741537 398220449 /nfs/dbraw/zinc/22/04/49/398220449.db2.gz LVCJVHUPLSIONG-UHFFFAOYSA-N 2 2 212.381 2.593 20 0 BFADLP CC[N@@H+](C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426741537 398220451 /nfs/dbraw/zinc/22/04/51/398220451.db2.gz LVCJVHUPLSIONG-UHFFFAOYSA-N 2 2 212.381 2.593 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@H]1CC1(C)C ZINC000576410867 365589661 /nfs/dbraw/zinc/58/96/61/365589661.db2.gz OBXXDVHMMMGUAN-OLZOCXBDSA-N 2 2 235.375 2.643 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000518581743 488173341 /nfs/dbraw/zinc/17/33/41/488173341.db2.gz OIODMOZINLMJIF-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CC[C@H]([NH2+]CC[NH+](C)C)C[C@@H]1C ZINC000381121108 343987066 /nfs/dbraw/zinc/98/70/66/343987066.db2.gz IOJYOTPNCTVFTO-IHRRRGAJSA-N 2 2 226.408 2.598 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CCc2cc[nH+]cc2C)no1 ZINC000290802013 178227066 /nfs/dbraw/zinc/22/70/66/178227066.db2.gz VNZLMOFJDPFGIQ-GFCCVEGCSA-N 2 2 245.326 2.580 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)ccc1F ZINC000268744208 178227906 /nfs/dbraw/zinc/22/79/06/178227906.db2.gz UCMFAGYBAKKKAK-GFCCVEGCSA-N 2 2 247.317 2.681 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)ccc1F ZINC000280306368 178229379 /nfs/dbraw/zinc/22/93/79/178229379.db2.gz WMMYXYHICLMRRH-SNVBAGLBSA-N 2 2 233.290 2.708 20 0 BFADLP CC[C@@H](C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000421370006 192335635 /nfs/dbraw/zinc/33/56/35/192335635.db2.gz CXFUQXASHCGGAI-GFCCVEGCSA-N 2 2 220.360 2.958 20 0 BFADLP FC1(F)CCC([NH2+]CC[NH+]2CCCCC2)CC1 ZINC000647169971 398235205 /nfs/dbraw/zinc/23/52/05/398235205.db2.gz INKZHHVLWHLJOX-UHFFFAOYSA-N 2 2 246.345 2.640 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000037158386 178253813 /nfs/dbraw/zinc/25/38/13/178253813.db2.gz BDEPPFDOOZSTIG-JQWIXIFHSA-N 2 2 247.342 2.832 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)ccc1F ZINC000268744211 178249128 /nfs/dbraw/zinc/24/91/28/178249128.db2.gz UCMFAGYBAKKKAK-LBPRGKRZSA-N 2 2 247.317 2.681 20 0 BFADLP CCC(CC)C[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028346 168362222 /nfs/dbraw/zinc/36/22/22/168362222.db2.gz YDONKYZKSWOHFU-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)s1 ZINC000043326784 178257084 /nfs/dbraw/zinc/25/70/84/178257084.db2.gz YYQNKUHMDCDPLR-JQWIXIFHSA-N 2 2 238.400 2.768 20 0 BFADLP CC1([NH3+])CC[NH+](Cc2sccc2Cl)CC1 ZINC000381240499 398253246 /nfs/dbraw/zinc/25/32/46/398253246.db2.gz MYHUGUUCUQHANN-UHFFFAOYSA-N 2 2 244.791 2.715 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C(C)C ZINC000037319579 538962142 /nfs/dbraw/zinc/96/21/42/538962142.db2.gz LWQAAJJSLFEHMT-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CCCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188618 342751922 /nfs/dbraw/zinc/75/19/22/342751922.db2.gz ZRPRVDLHTYZOOR-KBPBESRZSA-N 2 2 224.392 2.783 20 0 BFADLP CCCCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188618 342751924 /nfs/dbraw/zinc/75/19/24/342751924.db2.gz ZRPRVDLHTYZOOR-KBPBESRZSA-N 2 2 224.392 2.783 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000309641717 342771943 /nfs/dbraw/zinc/77/19/43/342771943.db2.gz KWMYRDUBDPYJOZ-KGLIPLIRSA-N 2 2 222.376 2.559 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000309641717 342771944 /nfs/dbraw/zinc/77/19/44/342771944.db2.gz KWMYRDUBDPYJOZ-KGLIPLIRSA-N 2 2 222.376 2.559 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccnc1 ZINC000184882367 538969848 /nfs/dbraw/zinc/96/98/48/538969848.db2.gz IWIMGOSXUWTEOX-OAHLLOKOSA-N 2 2 247.386 2.608 20 0 BFADLP CCCC(CCC)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040672336 538972712 /nfs/dbraw/zinc/97/27/12/538972712.db2.gz INYPJYFODGNSCY-ZDUSSCGKSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC(CCC)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040672336 538972713 /nfs/dbraw/zinc/97/27/13/538972713.db2.gz INYPJYFODGNSCY-ZDUSSCGKSA-N 2 2 212.381 2.639 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672355 538973001 /nfs/dbraw/zinc/97/30/01/538973001.db2.gz TXAXIVMNGOXMGC-CJNGLKHVSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672355 538973003 /nfs/dbraw/zinc/97/30/03/538973003.db2.gz TXAXIVMNGOXMGC-CJNGLKHVSA-N 2 2 246.398 2.994 20 0 BFADLP Cn1cc[nH+]c1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000630052062 361919607 /nfs/dbraw/zinc/91/96/07/361919607.db2.gz IJLGKSHRUKQOIK-UHFFFAOYSA-N 2 2 241.338 2.683 20 0 BFADLP CC[NH+](CC)C[C@H](C)Nc1cc(C)cc[nH+]1 ZINC000041677012 538975925 /nfs/dbraw/zinc/97/59/25/538975925.db2.gz KUEXYBBILYONFZ-LBPRGKRZSA-N 2 2 221.348 2.532 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000381524657 539003076 /nfs/dbraw/zinc/00/30/76/539003076.db2.gz WDDWZKFYNPDICK-KBPBESRZSA-N 2 2 226.408 2.600 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000381524657 539003077 /nfs/dbraw/zinc/00/30/77/539003077.db2.gz WDDWZKFYNPDICK-KBPBESRZSA-N 2 2 226.408 2.600 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000381545677 539003555 /nfs/dbraw/zinc/00/35/55/539003555.db2.gz KEHSOXLUJQNBQO-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000381545677 539003556 /nfs/dbraw/zinc/00/35/56/539003556.db2.gz KEHSOXLUJQNBQO-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000386613558 539013596 /nfs/dbraw/zinc/01/35/96/539013596.db2.gz MXUAKMWYJIRMOA-XJKCOSOUSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000386613558 539013598 /nfs/dbraw/zinc/01/35/98/539013598.db2.gz MXUAKMWYJIRMOA-XJKCOSOUSA-N 2 2 244.382 2.919 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000381388926 538999872 /nfs/dbraw/zinc/99/98/72/538999872.db2.gz NNSRAJQBNXYZNE-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000381388926 538999873 /nfs/dbraw/zinc/99/98/73/538999873.db2.gz NNSRAJQBNXYZNE-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000390745971 539027378 /nfs/dbraw/zinc/02/73/78/539027378.db2.gz ACJUXBPNYDXXBJ-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000390745971 539027379 /nfs/dbraw/zinc/02/73/79/539027379.db2.gz ACJUXBPNYDXXBJ-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1coc2ccccc12 ZINC000335633808 136241566 /nfs/dbraw/zinc/24/15/66/136241566.db2.gz DAGSZMZSHSVCRF-RISCZKNCSA-N 2 2 244.338 2.520 20 0 BFADLP CCc1oc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC000335860733 398300650 /nfs/dbraw/zinc/30/06/50/398300650.db2.gz GCAZNFDRDILJIL-NSHDSACASA-N 2 2 244.338 2.528 20 0 BFADLP CCc1oc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])C1 ZINC000335860733 398300652 /nfs/dbraw/zinc/30/06/52/398300652.db2.gz GCAZNFDRDILJIL-NSHDSACASA-N 2 2 244.338 2.528 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C)[NH+](C)C ZINC000449557712 398337829 /nfs/dbraw/zinc/33/78/29/398337829.db2.gz SKBIDPFOONJCQY-WMHQRMGPSA-N 2 2 246.398 2.718 20 0 BFADLP CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCC1 ZINC000313261785 259332251 /nfs/dbraw/zinc/33/22/51/259332251.db2.gz JHDGEUMXSSPOLL-OAHLLOKOSA-N 2 2 249.402 2.911 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]CCCC(C)C ZINC000053345026 346888106 /nfs/dbraw/zinc/88/81/06/346888106.db2.gz QBSOMLBCXYDBES-UHFFFAOYSA-N 2 2 214.397 2.744 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]CCCC(C)C ZINC000053345026 346888108 /nfs/dbraw/zinc/88/81/08/346888108.db2.gz QBSOMLBCXYDBES-UHFFFAOYSA-N 2 2 214.397 2.744 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313262705 259332038 /nfs/dbraw/zinc/33/20/38/259332038.db2.gz LCGQTUWUCNIQLC-UONOGXRCSA-N 2 2 249.402 2.767 20 0 BFADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccsc1 ZINC000313272267 259332797 /nfs/dbraw/zinc/33/27/97/259332797.db2.gz QMZHHMMFORVHTI-CYBMUJFWSA-N 2 2 249.383 2.765 20 0 BFADLP C[C@H](F)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000351760332 136252429 /nfs/dbraw/zinc/25/24/29/136252429.db2.gz UIGMZNPBPRLCDC-RWMBFGLXSA-N 2 2 239.338 2.514 20 0 BFADLP C[C@H](F)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000351760332 136252430 /nfs/dbraw/zinc/25/24/30/136252430.db2.gz UIGMZNPBPRLCDC-RWMBFGLXSA-N 2 2 239.338 2.514 20 0 BFADLP CCC[C@H]([NH2+]CC[N@H+](C)CC)C1CCCC1 ZINC000313393804 259334399 /nfs/dbraw/zinc/33/43/99/259334399.db2.gz NBINRHUXCXCZSL-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@H]([NH2+]CC[N@@H+](C)CC)C1CCCC1 ZINC000313393804 259334400 /nfs/dbraw/zinc/33/44/00/259334400.db2.gz NBINRHUXCXCZSL-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc(C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000020128732 342970675 /nfs/dbraw/zinc/97/06/75/342970675.db2.gz HGEKGQXDNUEQBA-UHFFFAOYSA-N 2 2 236.359 2.554 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CCC1 ZINC000322740153 488195993 /nfs/dbraw/zinc/19/59/93/488195993.db2.gz YARHAQWCHSJXRK-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000322740153 488195996 /nfs/dbraw/zinc/19/59/96/488195996.db2.gz YARHAQWCHSJXRK-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000400490278 529666319 /nfs/dbraw/zinc/66/63/19/529666319.db2.gz ZBTRBRIAFULPIU-GRYCIOLGSA-N 2 2 238.400 2.929 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccsc1Cl ZINC000312584237 323036231 /nfs/dbraw/zinc/03/62/31/323036231.db2.gz ZLKFDPJQJFICGR-PSASIEDQSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccsc1Cl ZINC000312584237 323036232 /nfs/dbraw/zinc/03/62/32/323036232.db2.gz ZLKFDPJQJFICGR-PSASIEDQSA-N 2 2 244.791 2.713 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261551785 136272549 /nfs/dbraw/zinc/27/25/49/136272549.db2.gz XWEJJANHLRBQAC-QMTHXVAHSA-N 2 2 244.338 2.520 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261551785 136272550 /nfs/dbraw/zinc/27/25/50/136272550.db2.gz XWEJJANHLRBQAC-QMTHXVAHSA-N 2 2 244.338 2.520 20 0 BFADLP CCCC[C@H](CC)[NH2+]CC[NH+]1CCCC1 ZINC000068985798 343254317 /nfs/dbraw/zinc/25/43/17/343254317.db2.gz GWRASRWOQQQEPD-ZDUSSCGKSA-N 2 2 212.381 2.641 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)cc1C ZINC000035275046 343291654 /nfs/dbraw/zinc/29/16/54/343291654.db2.gz KLAOOAZGTPBUBO-CQSZACIVSA-N 2 2 243.354 2.678 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1 ZINC000035274797 343292047 /nfs/dbraw/zinc/29/20/47/343292047.db2.gz MDXKNMJZVLJQCW-LLVKDONJSA-N 2 2 249.745 2.715 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088764 343370368 /nfs/dbraw/zinc/37/03/68/343370368.db2.gz RDWKIUPOISFKIP-KBPBESRZSA-N 2 2 234.387 2.547 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000037157912 343337255 /nfs/dbraw/zinc/33/72/55/343337255.db2.gz LLYPIFNGBGANQH-RYUDHWBXSA-N 2 2 247.317 2.762 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1F ZINC000037157874 343337265 /nfs/dbraw/zinc/33/72/65/343337265.db2.gz PJUVGARTUDQSBD-NEPJUHHUSA-N 2 2 247.317 2.762 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000037158338 343337288 /nfs/dbraw/zinc/33/72/88/343337288.db2.gz XMHFUNZDCNVFBI-NEPJUHHUSA-N 2 2 247.317 2.762 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(F)cc1 ZINC000037157916 343337298 /nfs/dbraw/zinc/33/72/98/343337298.db2.gz LLYPIFNGBGANQH-NWDGAFQWSA-N 2 2 247.317 2.762 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccs1 ZINC000037157797 343337313 /nfs/dbraw/zinc/33/73/13/343337313.db2.gz DOHLSZGCNITSFT-WDEREUQCSA-N 2 2 235.356 2.684 20 0 BFADLP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349177985 136330676 /nfs/dbraw/zinc/33/06/76/136330676.db2.gz BBXWJNLTCYTFOC-ZIAGYGMSSA-N 2 2 249.402 2.892 20 0 BFADLP CC(C)C[C@@H](C)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349177985 136330677 /nfs/dbraw/zinc/33/06/77/136330677.db2.gz BBXWJNLTCYTFOC-ZIAGYGMSSA-N 2 2 249.402 2.892 20 0 BFADLP CC1(C)C([NH2+]Cc2cccc3[nH+]ccn32)C1(C)C ZINC000349183492 136331024 /nfs/dbraw/zinc/33/10/24/136331024.db2.gz HKKIPCCCLPGRJP-UHFFFAOYSA-N 2 2 243.354 2.859 20 0 BFADLP C[C@H](CC[NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000043532918 343476928 /nfs/dbraw/zinc/47/69/28/343476928.db2.gz RIWHZJIVHVHLID-OAHLLOKOSA-N 2 2 246.398 2.866 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000584095307 343538149 /nfs/dbraw/zinc/53/81/49/343538149.db2.gz QQVQFRXWWZPBQN-VXGBXAGGSA-N 2 2 226.408 2.883 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000584095307 343538151 /nfs/dbraw/zinc/53/81/51/343538151.db2.gz QQVQFRXWWZPBQN-VXGBXAGGSA-N 2 2 226.408 2.883 20 0 BFADLP CCCC[C@H](CC)C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625436139 343733559 /nfs/dbraw/zinc/73/35/59/343733559.db2.gz FRVFLSLTQPAMOL-LBPRGKRZSA-N 2 2 235.375 2.984 20 0 BFADLP C[C@@H](C[N@@H+]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000625435851 343733884 /nfs/dbraw/zinc/73/38/84/343733884.db2.gz YCUWTEHCVCFZFM-LBPRGKRZSA-N 2 2 247.386 2.984 20 0 BFADLP C[C@@H](C[N@H+]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000625435851 343733885 /nfs/dbraw/zinc/73/38/85/343733885.db2.gz YCUWTEHCVCFZFM-LBPRGKRZSA-N 2 2 247.386 2.984 20 0 BFADLP CC1(C)CCCC[C@@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434201 343734952 /nfs/dbraw/zinc/73/49/52/343734952.db2.gz JCERPTIVILNWTR-GFCCVEGCSA-N 2 2 247.386 2.984 20 0 BFADLP CC1(C)CCCC[C@@H]1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434201 343734953 /nfs/dbraw/zinc/73/49/53/343734953.db2.gz JCERPTIVILNWTR-GFCCVEGCSA-N 2 2 247.386 2.984 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@@H+]([C@H]1C=CCCCCC1)C2 ZINC000625434570 343735119 /nfs/dbraw/zinc/73/51/19/343735119.db2.gz BIADFLBBHKHJPJ-LBPRGKRZSA-N 2 2 231.343 2.657 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@H+]([C@H]1C=CCCCCC1)C2 ZINC000625434570 343735121 /nfs/dbraw/zinc/73/51/21/343735121.db2.gz BIADFLBBHKHJPJ-LBPRGKRZSA-N 2 2 231.343 2.657 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c(C)n2C)C1 ZINC000576648802 343756004 /nfs/dbraw/zinc/75/60/04/343756004.db2.gz FTJRWDCNWKKQBQ-OLZOCXBDSA-N 2 2 235.375 2.787 20 0 BFADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)CC1CC1 ZINC000180232554 347019241 /nfs/dbraw/zinc/01/92/41/347019241.db2.gz MMAIPWNKGUSBCY-UHFFFAOYSA-N 2 2 229.327 2.566 20 0 BFADLP CC[N@H+](Cc1cccc2[nH+]ccn21)CC1CC1 ZINC000180232554 347019244 /nfs/dbraw/zinc/01/92/44/347019244.db2.gz MMAIPWNKGUSBCY-UHFFFAOYSA-N 2 2 229.327 2.566 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000122323191 178635451 /nfs/dbraw/zinc/63/54/51/178635451.db2.gz UCOXNXXTNQBDKA-ZFWWWQNUSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000122323191 178635453 /nfs/dbraw/zinc/63/54/53/178635453.db2.gz UCOXNXXTNQBDKA-ZFWWWQNUSA-N 2 2 244.382 2.710 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)c1ccccc1 ZINC000083375669 344175167 /nfs/dbraw/zinc/17/51/67/344175167.db2.gz GBXLPQNVFDJRGJ-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)c1ccccc1 ZINC000083375669 344175168 /nfs/dbraw/zinc/17/51/68/344175168.db2.gz GBXLPQNVFDJRGJ-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(C)cc2)n1C ZINC000573459961 344274028 /nfs/dbraw/zinc/27/40/28/344274028.db2.gz RJVCKGFKJQITIP-GFCCVEGCSA-N 2 2 243.354 2.888 20 0 BFADLP CN(Cc1[nH]cc[nH+]1)c1cc(C(C)(C)C)cc[nH+]1 ZINC000641380284 362384611 /nfs/dbraw/zinc/38/46/11/362384611.db2.gz SSRRFLITPWDBHI-UHFFFAOYSA-N 2 2 244.342 2.739 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C(C)(C)C)n1C ZINC000584303082 344440648 /nfs/dbraw/zinc/44/06/48/344440648.db2.gz XWFZRALFCCOESX-UHFFFAOYSA-N 2 2 237.391 2.890 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)n1C ZINC000577888467 344645016 /nfs/dbraw/zinc/64/50/16/344645016.db2.gz UEWHQERFWDQTEX-UHIISALHSA-N 2 2 235.375 2.643 20 0 BFADLP C[C@@H](CNc1[nH+]ccc2ccccc21)[NH+](C)C ZINC000168658525 344648762 /nfs/dbraw/zinc/64/87/62/344648762.db2.gz BHLOTMDLYUQUKZ-NSHDSACASA-N 2 2 229.327 2.597 20 0 BFADLP C[C@]12CCCC[C@H]1C[N@@H+]2CCCn1cc[nH+]c1 ZINC000626104438 344924299 /nfs/dbraw/zinc/92/42/99/344924299.db2.gz QOIIIOHWETVNPL-KBPBESRZSA-N 2 2 233.359 2.538 20 0 BFADLP C[C@]12CCCC[C@H]1C[N@H+]2CCCn1cc[nH+]c1 ZINC000626104438 344924303 /nfs/dbraw/zinc/92/43/03/344924303.db2.gz QOIIIOHWETVNPL-KBPBESRZSA-N 2 2 233.359 2.538 20 0 BFADLP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153703208 344956682 /nfs/dbraw/zinc/95/66/82/344956682.db2.gz GUPDJSJRJQFJAB-OLZOCXBDSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153703208 344956684 /nfs/dbraw/zinc/95/66/84/344956684.db2.gz GUPDJSJRJQFJAB-OLZOCXBDSA-N 2 2 224.392 2.637 20 0 BFADLP Fc1ccccc1C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353181 345032508 /nfs/dbraw/zinc/03/25/08/345032508.db2.gz QXOKYNLIIACUEJ-UHFFFAOYSA-N 2 2 247.317 2.592 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000044353260 345032715 /nfs/dbraw/zinc/03/27/15/345032715.db2.gz ISCKQYGDSIRHGH-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353230 345033000 /nfs/dbraw/zinc/03/30/00/345033000.db2.gz SYEBYGKEUPUFRH-UHFFFAOYSA-N 2 2 243.354 2.762 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000319015153 259382316 /nfs/dbraw/zinc/38/23/16/259382316.db2.gz PZJOYHRLQQKAKO-OUCADQQQSA-N 2 2 220.360 2.711 20 0 BFADLP C[C@@H](C[NH+](C)C)Nc1cc(C(C)(C)C)cc[nH+]1 ZINC000641606703 362543251 /nfs/dbraw/zinc/54/32/51/362543251.db2.gz ZUDJUDVFPPCYQB-NSHDSACASA-N 2 2 235.375 2.741 20 0 BFADLP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993393 345190374 /nfs/dbraw/zinc/19/03/74/345190374.db2.gz SYMOLPINEHCIIH-FEWQNLEASA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H](C)[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993393 345190377 /nfs/dbraw/zinc/19/03/77/345190377.db2.gz SYMOLPINEHCIIH-FEWQNLEASA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993076 345188763 /nfs/dbraw/zinc/18/87/63/345188763.db2.gz KSKDUYIIWYYUHN-FGZQJIAISA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993076 345188764 /nfs/dbraw/zinc/18/87/64/345188764.db2.gz KSKDUYIIWYYUHN-FGZQJIAISA-N 2 2 236.403 2.639 20 0 BFADLP FC(F)(F)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959840 345455576 /nfs/dbraw/zinc/45/55/76/345455576.db2.gz PDTHYASGXIVFSX-VIFPVBQESA-N 2 2 247.264 2.542 20 0 BFADLP FC(F)(F)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080959840 345455577 /nfs/dbraw/zinc/45/55/77/345455577.db2.gz PDTHYASGXIVFSX-VIFPVBQESA-N 2 2 247.264 2.542 20 0 BFADLP CCCCC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159017247 345399731 /nfs/dbraw/zinc/39/97/31/345399731.db2.gz XLQKWMASAGSVCQ-ZIAGYGMSSA-N 2 2 235.375 2.956 20 0 BFADLP CCCCC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159017247 345399733 /nfs/dbraw/zinc/39/97/33/345399733.db2.gz XLQKWMASAGSVCQ-ZIAGYGMSSA-N 2 2 235.375 2.956 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C(C)C)C1CC1 ZINC000090847511 345577663 /nfs/dbraw/zinc/57/76/63/345577663.db2.gz XZRSHUGKWVYSMG-OAHLLOKOSA-N 2 2 232.371 2.957 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1nccs1 ZINC000090846991 345576697 /nfs/dbraw/zinc/57/66/97/345576697.db2.gz PCNQHRSMGLVEFB-LLVKDONJSA-N 2 2 247.367 2.740 20 0 BFADLP c1csc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073785 345615191 /nfs/dbraw/zinc/61/51/91/345615191.db2.gz FPGSKLVHFDETLC-NSHDSACASA-N 2 2 247.367 2.851 20 0 BFADLP c1csc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000092073785 345615194 /nfs/dbraw/zinc/61/51/94/345615194.db2.gz FPGSKLVHFDETLC-NSHDSACASA-N 2 2 247.367 2.851 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000093052536 345655582 /nfs/dbraw/zinc/65/55/82/345655582.db2.gz ZNECSMIRTRBRNK-ZBFHGGJFSA-N 2 2 248.414 2.795 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1C[C@H](C)CC[C@H]1C ZINC000251672506 535010139 /nfs/dbraw/zinc/01/01/39/535010139.db2.gz AEFGFYIUIAPLRH-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1C[C@H](C)CC[C@H]1C ZINC000251672506 535010143 /nfs/dbraw/zinc/01/01/43/535010143.db2.gz AEFGFYIUIAPLRH-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](Cc1coc2ccccc12)[NH2+]CC[NH+](C)C ZINC000449268817 201853233 /nfs/dbraw/zinc/85/32/33/201853233.db2.gz JRBPZLJMCVYSMU-LBPRGKRZSA-N 2 2 246.354 2.515 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C3(C(C)C)CC3)n2c1 ZINC000293047444 178982389 /nfs/dbraw/zinc/98/23/89/178982389.db2.gz RHCWQSHQMLESAT-UHFFFAOYSA-N 2 2 243.354 2.921 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000020126902 259388563 /nfs/dbraw/zinc/38/85/63/259388563.db2.gz XSADAISPBBKTDB-AWEZNQCLSA-N 2 2 232.371 2.741 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000355030454 179049450 /nfs/dbraw/zinc/04/94/50/179049450.db2.gz DBVRQLJMZGCWPR-SOUVJXGZSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000355030454 179049451 /nfs/dbraw/zinc/04/94/51/179049451.db2.gz DBVRQLJMZGCWPR-SOUVJXGZSA-N 2 2 246.398 2.904 20 0 BFADLP C[N@H+](Cc1cc2ccccc2s1)[C@H]1CC[NH2+]C1 ZINC000575045371 346419489 /nfs/dbraw/zinc/41/94/89/346419489.db2.gz BKCJXGQEBCFKTA-LBPRGKRZSA-N 2 2 246.379 2.695 20 0 BFADLP C[N@@H+](Cc1cc2ccccc2s1)[C@H]1CC[NH2+]C1 ZINC000575045371 346419492 /nfs/dbraw/zinc/41/94/92/346419492.db2.gz BKCJXGQEBCFKTA-LBPRGKRZSA-N 2 2 246.379 2.695 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000132247255 179081847 /nfs/dbraw/zinc/08/18/47/179081847.db2.gz DINTWIFUICKNHO-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1C ZINC000132247255 179081849 /nfs/dbraw/zinc/08/18/49/179081849.db2.gz DINTWIFUICKNHO-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272698292 179082979 /nfs/dbraw/zinc/08/29/79/179082979.db2.gz YFUDJSGOWHSMJN-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272698292 179082981 /nfs/dbraw/zinc/08/29/81/179082981.db2.gz YFUDJSGOWHSMJN-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272698292 179082983 /nfs/dbraw/zinc/08/29/83/179082983.db2.gz YFUDJSGOWHSMJN-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272698292 179082986 /nfs/dbraw/zinc/08/29/86/179082986.db2.gz YFUDJSGOWHSMJN-CVEARBPZSA-N 2 2 244.382 2.521 20 0 BFADLP CCC(CC)(CC)[NH2+]Cc1c[nH+]c(C)n1C ZINC000563442034 323126617 /nfs/dbraw/zinc/12/66/17/323126617.db2.gz VVJBGVVCHWPGSC-UHFFFAOYSA-N 2 2 223.364 2.787 20 0 BFADLP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC000381642339 346520102 /nfs/dbraw/zinc/52/01/02/346520102.db2.gz PNLLGZRVTWVQMC-LBPRGKRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182621447 347100537 /nfs/dbraw/zinc/10/05/37/347100537.db2.gz PMWVFKCFYWQRSR-ZDUSSCGKSA-N 2 2 221.348 2.538 20 0 BFADLP CC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182621447 347100540 /nfs/dbraw/zinc/10/05/40/347100540.db2.gz PMWVFKCFYWQRSR-ZDUSSCGKSA-N 2 2 221.348 2.538 20 0 BFADLP C[C@@H](CCc1ccccc1)C[NH2+][C@@H](C)C[NH+](C)C ZINC000577141081 365835003 /nfs/dbraw/zinc/83/50/03/365835003.db2.gz YKTNODMZDRDPNA-GJZGRUSLSA-N 2 2 248.414 2.795 20 0 BFADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC2CC2)[nH+]1 ZINC000362805598 179146733 /nfs/dbraw/zinc/14/67/33/179146733.db2.gz KFXYOFKZDDLQAS-AWEZNQCLSA-N 2 2 245.370 2.676 20 0 BFADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC2CC2)[nH+]1 ZINC000362805598 179146735 /nfs/dbraw/zinc/14/67/35/179146735.db2.gz KFXYOFKZDDLQAS-AWEZNQCLSA-N 2 2 245.370 2.676 20 0 BFADLP CC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000170643275 346791536 /nfs/dbraw/zinc/79/15/36/346791536.db2.gz PTKVOTRBZFNPPP-UHFFFAOYSA-N 2 2 241.338 2.857 20 0 BFADLP CC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000170643275 346791539 /nfs/dbraw/zinc/79/15/39/346791539.db2.gz PTKVOTRBZFNPPP-UHFFFAOYSA-N 2 2 241.338 2.857 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000154641371 179195882 /nfs/dbraw/zinc/19/58/82/179195882.db2.gz KSNCKNDFARLIGK-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000154641371 179195883 /nfs/dbraw/zinc/19/58/83/179195883.db2.gz KSNCKNDFARLIGK-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1C ZINC000358372582 179197972 /nfs/dbraw/zinc/19/79/72/179197972.db2.gz BZIVDIDZVRNMOT-DUVNUKRYSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1C ZINC000358372582 179197973 /nfs/dbraw/zinc/19/79/73/179197973.db2.gz BZIVDIDZVRNMOT-DUVNUKRYSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[NH+](C)C ZINC000286882123 179224723 /nfs/dbraw/zinc/22/47/23/179224723.db2.gz CMTQFOGGKPCYBM-TZMCWYRMSA-N 2 2 232.371 2.695 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+]CCn1cc[nH+]c1 ZINC000292873926 179253309 /nfs/dbraw/zinc/25/33/09/179253309.db2.gz DIUWTYUDZYMHEG-UHFFFAOYSA-N 2 2 243.354 2.716 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000571591525 323149069 /nfs/dbraw/zinc/14/90/69/323149069.db2.gz PHRFNPGZGGSVOY-CYBMUJFWSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC3(CC3)CC2)C1 ZINC000571591525 323149070 /nfs/dbraw/zinc/14/90/70/323149070.db2.gz PHRFNPGZGGSVOY-CYBMUJFWSA-N 2 2 236.403 2.641 20 0 BFADLP c1coc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000197718063 347589450 /nfs/dbraw/zinc/58/94/50/347589450.db2.gz WEGUELHLSAHBKQ-UHFFFAOYSA-N 2 2 248.370 2.730 20 0 BFADLP C[C@H](C[NH2+]CC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000252892292 347683772 /nfs/dbraw/zinc/68/37/72/347683772.db2.gz NCDNAAOGMBHSMF-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[NH2+]CC(C)(C)C)[N@H+]1CCCC[C@H]1C ZINC000252892292 347683776 /nfs/dbraw/zinc/68/37/76/347683776.db2.gz NCDNAAOGMBHSMF-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000531970762 323160393 /nfs/dbraw/zinc/16/03/93/323160393.db2.gz GVDGTCOUPJISKT-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000531970762 323160394 /nfs/dbraw/zinc/16/03/94/323160394.db2.gz GVDGTCOUPJISKT-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CC[NH3+] ZINC000054416778 347879627 /nfs/dbraw/zinc/87/96/27/347879627.db2.gz SKHIHTQZSVHJQO-LBPRGKRZSA-N 2 2 226.751 2.682 20 0 BFADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CC[NH3+] ZINC000054416778 347879631 /nfs/dbraw/zinc/87/96/31/347879631.db2.gz SKHIHTQZSVHJQO-LBPRGKRZSA-N 2 2 226.751 2.682 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020554264 259399616 /nfs/dbraw/zinc/39/96/16/259399616.db2.gz SYPSFKGJUAAMKH-ZIAGYGMSSA-N 2 2 228.424 2.987 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020554270 259399619 /nfs/dbraw/zinc/39/96/19/259399619.db2.gz SYPSFKGJUAAMKH-KBPBESRZSA-N 2 2 228.424 2.987 20 0 BFADLP c1cn([C@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)c[nH+]1 ZINC000595571779 348285038 /nfs/dbraw/zinc/28/50/38/348285038.db2.gz HRHVIKOTEOBSQV-KBPBESRZSA-N 2 2 231.343 2.629 20 0 BFADLP c1cn([C@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)c[nH+]1 ZINC000595571779 348285040 /nfs/dbraw/zinc/28/50/40/348285040.db2.gz HRHVIKOTEOBSQV-KBPBESRZSA-N 2 2 231.343 2.629 20 0 BFADLP Cc1cccnc1[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)C ZINC000172037893 179399858 /nfs/dbraw/zinc/39/98/58/179399858.db2.gz YRQQEQODHUNUGD-CYBMUJFWSA-N 2 2 244.342 2.600 20 0 BFADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000051790370 187395720 /nfs/dbraw/zinc/39/57/20/187395720.db2.gz YUIGRXDJCMEICB-NFBGWVBBSA-N 2 2 242.366 2.526 20 0 BFADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000051790370 187395721 /nfs/dbraw/zinc/39/57/21/187395721.db2.gz YUIGRXDJCMEICB-NFBGWVBBSA-N 2 2 242.366 2.526 20 0 BFADLP C[N@H+](CCC1CC1)C(C)(C)C[NH+]1CCCC1 ZINC000419370415 192128670 /nfs/dbraw/zinc/12/86/70/192128670.db2.gz HBZFMCVZBWVYBK-UHFFFAOYSA-N 2 2 224.392 2.593 20 0 BFADLP C[N@@H+](CCC1CC1)C(C)(C)C[NH+]1CCCC1 ZINC000419370415 192128671 /nfs/dbraw/zinc/12/86/71/192128671.db2.gz HBZFMCVZBWVYBK-UHFFFAOYSA-N 2 2 224.392 2.593 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC(C)(C)C[C@@H]1C)[NH+](C)C ZINC000222118095 349375223 /nfs/dbraw/zinc/37/52/23/349375223.db2.gz PAXWFXWAMPLRKW-AVGNSLFASA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000093066426 350012790 /nfs/dbraw/zinc/01/27/90/350012790.db2.gz UBEUGLHLVXAJSJ-GXTWGEPZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000070600276 350027451 /nfs/dbraw/zinc/02/74/51/350027451.db2.gz YWAZGUGDRCGURX-IUCAKERBSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)s1 ZINC000070600276 350027454 /nfs/dbraw/zinc/02/74/54/350027454.db2.gz YWAZGUGDRCGURX-IUCAKERBSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000251747156 538055430 /nfs/dbraw/zinc/05/54/30/538055430.db2.gz DADBFPVLMSWDFH-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000251747156 538055433 /nfs/dbraw/zinc/05/54/33/538055433.db2.gz DADBFPVLMSWDFH-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC(C)(C)C ZINC000041120245 180103831 /nfs/dbraw/zinc/10/38/31/180103831.db2.gz VEOCEFDRYBNHDM-UHFFFAOYSA-N 2 2 245.370 2.980 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C1CC1 ZINC000020186681 180104366 /nfs/dbraw/zinc/10/43/66/180104366.db2.gz MDYFDKNVKOVMMQ-LLVKDONJSA-N 2 2 243.354 2.733 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CCC(C)C ZINC000020186651 180104462 /nfs/dbraw/zinc/10/44/62/180104462.db2.gz QLQHAFBGUXFOEC-UHFFFAOYSA-N 2 2 245.370 2.980 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H]1C)[NH+](C)C ZINC000083390063 350193268 /nfs/dbraw/zinc/19/32/68/350193268.db2.gz KARCXWHETZNROE-MJBXVCDLSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2CCC2)n1-c1ccccc1 ZINC000092129019 180149943 /nfs/dbraw/zinc/14/99/43/180149943.db2.gz FCTARAIOJHSHDW-UHFFFAOYSA-N 2 2 241.338 2.823 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@@H]1CCC[NH2+]1 ZINC000422765394 192459966 /nfs/dbraw/zinc/45/99/66/192459966.db2.gz PDMWVSDLWSNISO-WKPIXPDZSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H](CNc1cccc[nH+]1)C[NH+]1CCCCC1 ZINC000038042184 350302596 /nfs/dbraw/zinc/30/25/96/350302596.db2.gz JPUUJQOXOZRHQR-ZDUSSCGKSA-N 2 2 233.359 2.616 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000336643066 350318254 /nfs/dbraw/zinc/31/82/54/350318254.db2.gz AMTLJGJRNUXFBF-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427858972 191096381 /nfs/dbraw/zinc/09/63/81/191096381.db2.gz VCZYWNWRLWZKGC-OCCSQVGLSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427858971 191096184 /nfs/dbraw/zinc/09/61/84/191096184.db2.gz VCZYWNWRLWZKGC-JSGCOSHPSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@@H](C)C1 ZINC000427872462 191098539 /nfs/dbraw/zinc/09/85/39/191098539.db2.gz DASSKWDOHOOKKI-RFGFWPKPSA-N 2 2 247.386 2.612 20 0 BFADLP CC(C)c1[nH+]ccn1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000319861833 350390409 /nfs/dbraw/zinc/39/04/09/350390409.db2.gz ZRVDXLSJGPUENR-KBPBESRZSA-N 2 2 249.402 2.984 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427885877 191099353 /nfs/dbraw/zinc/09/93/53/191099353.db2.gz NPPQKISADONYMA-QWHCGFSZSA-N 2 2 235.375 2.612 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427887662 191099964 /nfs/dbraw/zinc/09/99/64/191099964.db2.gz UHUFKHZOGWOZKU-KGLIPLIRSA-N 2 2 247.386 2.922 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCCCCC1 ZINC000035275513 358456477 /nfs/dbraw/zinc/45/64/77/358456477.db2.gz RKQXPVLJFNTCJX-GFCCVEGCSA-N 2 2 221.348 2.584 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000070562274 350536130 /nfs/dbraw/zinc/53/61/30/350536130.db2.gz YDBMMRDYZIBAQR-KBPBESRZSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337390916 350581108 /nfs/dbraw/zinc/58/11/08/350581108.db2.gz NKQUWMCBMOHVIF-GBJTYRQASA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337390916 350581112 /nfs/dbraw/zinc/58/11/12/350581112.db2.gz NKQUWMCBMOHVIF-GBJTYRQASA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628312550 350814589 /nfs/dbraw/zinc/81/45/89/350814589.db2.gz GJMYUPHGKKGVRM-GOEBONIOSA-N 2 2 246.398 2.782 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628312550 350814594 /nfs/dbraw/zinc/81/45/94/350814594.db2.gz GJMYUPHGKKGVRM-GOEBONIOSA-N 2 2 246.398 2.782 20 0 BFADLP CC[C@H](C)C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089636 350850920 /nfs/dbraw/zinc/85/09/20/350850920.db2.gz QAOSIZNEGGZDRF-NSHDSACASA-N 2 2 248.361 2.599 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cnccc1C ZINC000271368348 351413531 /nfs/dbraw/zinc/41/35/31/351413531.db2.gz GISLUZAWOPKNMN-KBPBESRZSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cnccc1C ZINC000271368348 351413537 /nfs/dbraw/zinc/41/35/37/351413537.db2.gz GISLUZAWOPKNMN-KBPBESRZSA-N 2 2 247.386 2.525 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]([C@H](C)C(C)C)C1CC1 ZINC000414671312 351578266 /nfs/dbraw/zinc/57/82/66/351578266.db2.gz NSEDCECLHOUZHL-CHWSQXEVSA-N 2 2 226.408 2.869 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]([C@H](C)C(C)C)C1CC1 ZINC000414671312 351578269 /nfs/dbraw/zinc/57/82/69/351578269.db2.gz NSEDCECLHOUZHL-CHWSQXEVSA-N 2 2 226.408 2.869 20 0 BFADLP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000577681492 366034858 /nfs/dbraw/zinc/03/48/58/366034858.db2.gz VCZIIHQHNQIVNQ-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)cc1F ZINC000577681492 366034862 /nfs/dbraw/zinc/03/48/62/366034862.db2.gz VCZIIHQHNQIVNQ-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)C1(C)CCCC1 ZINC000414764680 351701161 /nfs/dbraw/zinc/70/11/61/351701161.db2.gz OQHSEEMBSVVPPV-GFCCVEGCSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C1(C)CCCC1 ZINC000414764680 351701164 /nfs/dbraw/zinc/70/11/64/351701164.db2.gz OQHSEEMBSVVPPV-GFCCVEGCSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C1(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000638018479 351897035 /nfs/dbraw/zinc/89/70/35/351897035.db2.gz PIHGCBBSGWBCQV-AWEZNQCLSA-N 2 2 247.386 2.956 20 0 BFADLP CC(C)C1(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CC1 ZINC000638018479 351897037 /nfs/dbraw/zinc/89/70/37/351897037.db2.gz PIHGCBBSGWBCQV-AWEZNQCLSA-N 2 2 247.386 2.956 20 0 BFADLP c1cn(CC[NH2+]C2CCC(=C3CCC3)CC2)c[nH+]1 ZINC000638298878 352131224 /nfs/dbraw/zinc/13/12/24/352131224.db2.gz VUOMRRNVJNLGPS-UHFFFAOYSA-N 2 2 245.370 2.896 20 0 BFADLP Cc1ccc[nH+]c1N[C@H](c1[nH+]ccn1C)C1CC1 ZINC000638382436 352191593 /nfs/dbraw/zinc/19/15/93/352191593.db2.gz WDUQMJDKXDQEHE-LBPRGKRZSA-N 2 2 242.326 2.687 20 0 BFADLP Cc1ccoc1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000334190473 352781324 /nfs/dbraw/zinc/78/13/24/352781324.db2.gz IFBLDBRTSMWAFH-UHFFFAOYSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1ccoc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334190473 352781328 /nfs/dbraw/zinc/78/13/28/352781328.db2.gz IFBLDBRTSMWAFH-UHFFFAOYSA-N 2 2 245.326 2.691 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000342915697 352917051 /nfs/dbraw/zinc/91/70/51/352917051.db2.gz GBMCJCKYWHVDGD-CABCVRRESA-N 2 2 246.398 2.720 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000342915700 352917507 /nfs/dbraw/zinc/91/75/07/352917507.db2.gz GBMCJCKYWHVDGD-LSDHHAIUSA-N 2 2 246.398 2.720 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000336748876 352979333 /nfs/dbraw/zinc/97/93/33/352979333.db2.gz DBXNYVZWIMNXKS-AVGNSLFASA-N 2 2 214.397 2.741 20 0 BFADLP Cc1cccc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000302257729 188060119 /nfs/dbraw/zinc/06/01/19/188060119.db2.gz ZRBGUHMDKDLZQL-OCCSQVGLSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cccc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000302257729 188060120 /nfs/dbraw/zinc/06/01/20/188060120.db2.gz ZRBGUHMDKDLZQL-OCCSQVGLSA-N 2 2 247.386 2.922 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000304369136 188076038 /nfs/dbraw/zinc/07/60/38/188076038.db2.gz FRHRXIREBVWQQY-OCCSQVGLSA-N 2 2 220.360 2.711 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)Cc1cccs1 ZINC000035717786 188104483 /nfs/dbraw/zinc/10/44/83/188104483.db2.gz LIZJOGNCIONXSX-NSHDSACASA-N 2 2 226.389 2.553 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)Cc1cccs1 ZINC000035717786 188104485 /nfs/dbraw/zinc/10/44/85/188104485.db2.gz LIZJOGNCIONXSX-NSHDSACASA-N 2 2 226.389 2.553 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000038087443 188116569 /nfs/dbraw/zinc/11/65/69/188116569.db2.gz DFLQFNCKTBPBHP-HIFRSBDPSA-N 2 2 234.387 2.923 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028473 188117331 /nfs/dbraw/zinc/11/73/31/188117331.db2.gz UNSBGYJTJOEWPW-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP c1cn(C2CC[NH+]([C@@H]3C=CCCC3)CC2)c[nH+]1 ZINC000171933572 188162888 /nfs/dbraw/zinc/16/28/88/188162888.db2.gz ZBRUHXSCKMHXDT-CYBMUJFWSA-N 2 2 231.343 2.629 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000309347718 188167129 /nfs/dbraw/zinc/16/71/29/188167129.db2.gz MDAQTUNXCXCOFT-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000309347718 188167130 /nfs/dbraw/zinc/16/71/30/188167130.db2.gz MDAQTUNXCXCOFT-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000337397362 188186356 /nfs/dbraw/zinc/18/63/56/188186356.db2.gz CAAAXMWNJAVBDW-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@@H]1CCC12CCC2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000337397362 188186357 /nfs/dbraw/zinc/18/63/57/188186357.db2.gz CAAAXMWNJAVBDW-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000077412175 353585445 /nfs/dbraw/zinc/58/54/45/353585445.db2.gz PWWRYAHEZMQVPD-DGCLKSJQSA-N 2 2 221.348 2.858 20 0 BFADLP CC(C)C[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343315484 353641196 /nfs/dbraw/zinc/64/11/96/353641196.db2.gz QQOQCFICLKEDHZ-CQSZACIVSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343315484 353641200 /nfs/dbraw/zinc/64/12/00/353641200.db2.gz QQOQCFICLKEDHZ-CQSZACIVSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H](CC[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000194289893 353647829 /nfs/dbraw/zinc/64/78/29/353647829.db2.gz ZKTHFJXUWZMKFD-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H](CC[NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000194289893 353647833 /nfs/dbraw/zinc/64/78/33/353647833.db2.gz ZKTHFJXUWZMKFD-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000232770142 353761097 /nfs/dbraw/zinc/76/10/97/353761097.db2.gz GFSRVVSAQZMCMA-HNNXBMFYSA-N 2 2 232.371 2.652 20 0 BFADLP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000220305521 353833193 /nfs/dbraw/zinc/83/31/93/353833193.db2.gz SFKHDGFLOHTLAR-CYBMUJFWSA-N 2 2 238.762 2.572 20 0 BFADLP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1C[NH3+] ZINC000220305521 353833196 /nfs/dbraw/zinc/83/31/96/353833196.db2.gz SFKHDGFLOHTLAR-CYBMUJFWSA-N 2 2 238.762 2.572 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000334539002 353927134 /nfs/dbraw/zinc/92/71/34/353927134.db2.gz CJBLDCCQVNCSKU-STQMWFEESA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000334539002 353927137 /nfs/dbraw/zinc/92/71/37/353927137.db2.gz CJBLDCCQVNCSKU-STQMWFEESA-N 2 2 235.375 2.702 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)C[N@@H+]1C1CC1 ZINC000334540949 353975009 /nfs/dbraw/zinc/97/50/09/353975009.db2.gz NYVWPASYUGZSSC-RYUDHWBXSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CC3(CCC3)C2)C[N@H+]1C1CC1 ZINC000334540949 353975010 /nfs/dbraw/zinc/97/50/10/353975010.db2.gz NYVWPASYUGZSSC-RYUDHWBXSA-N 2 2 234.387 2.534 20 0 BFADLP CC(C)(C)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000344172263 354171964 /nfs/dbraw/zinc/17/19/64/354171964.db2.gz STGNCLOUUBGZMI-CYBMUJFWSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)(C)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000344172263 354171970 /nfs/dbraw/zinc/17/19/70/354171970.db2.gz STGNCLOUUBGZMI-CYBMUJFWSA-N 2 2 235.375 2.641 20 0 BFADLP CCC1CCC(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000344225195 354183047 /nfs/dbraw/zinc/18/30/47/354183047.db2.gz SCMOZWIALZEAPC-PPWQZUPISA-N 2 2 238.419 2.743 20 0 BFADLP CCC1CCC(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000344225195 354183049 /nfs/dbraw/zinc/18/30/49/354183049.db2.gz SCMOZWIALZEAPC-PPWQZUPISA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344362223 354242528 /nfs/dbraw/zinc/24/25/28/354242528.db2.gz RTGFVEGJJBAPFY-HIFRSBDPSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344362223 354242529 /nfs/dbraw/zinc/24/25/29/354242529.db2.gz RTGFVEGJJBAPFY-HIFRSBDPSA-N 2 2 232.371 2.567 20 0 BFADLP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccccc2)CCC[N@@H+]1C ZINC000344330765 354227344 /nfs/dbraw/zinc/22/73/44/354227344.db2.gz VSUIBEOVJCWNQD-WNTKCETOSA-N 2 2 244.382 2.772 20 0 BFADLP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccccc2)CCC[N@H+]1C ZINC000344330765 354227348 /nfs/dbraw/zinc/22/73/48/354227348.db2.gz VSUIBEOVJCWNQD-WNTKCETOSA-N 2 2 244.382 2.772 20 0 BFADLP CCn1c[nH+]cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000334598078 354232880 /nfs/dbraw/zinc/23/28/80/354232880.db2.gz UPDOALJTTYBOBQ-TZMCWYRMSA-N 2 2 233.359 2.668 20 0 BFADLP CC1CCC(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000344338252 354234274 /nfs/dbraw/zinc/23/42/74/354234274.db2.gz WNFADDPYJZORFH-OOJKYFRXSA-N 2 2 238.419 2.885 20 0 BFADLP CC1CCC(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000344338252 354234275 /nfs/dbraw/zinc/23/42/75/354234275.db2.gz WNFADDPYJZORFH-OOJKYFRXSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cccn2c(C[NH2+]CC3(C)CC3)c[nH+]c12 ZINC000344710269 354353539 /nfs/dbraw/zinc/35/35/39/354353539.db2.gz NBFPMURSOVSADJ-UHFFFAOYSA-N 2 2 229.327 2.532 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634448 366193968 /nfs/dbraw/zinc/19/39/68/366193968.db2.gz CUGBGPPSJBUVMD-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634448 366193971 /nfs/dbraw/zinc/19/39/71/366193971.db2.gz CUGBGPPSJBUVMD-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC[C@@H]3C)n2c1 ZINC000334733945 354534401 /nfs/dbraw/zinc/53/44/01/354534401.db2.gz HOYIWXQHICKVOJ-WCQYABFASA-N 2 2 229.327 2.531 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC[C@H]3C)n2c1 ZINC000334733944 354534518 /nfs/dbraw/zinc/53/45/18/354534518.db2.gz HOYIWXQHICKVOJ-DGCLKSJQSA-N 2 2 229.327 2.531 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000334796310 354549927 /nfs/dbraw/zinc/54/99/27/354549927.db2.gz ZPOJGORFQWLCNR-DZGCQCFKSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000334796310 354549930 /nfs/dbraw/zinc/54/99/30/354549930.db2.gz ZPOJGORFQWLCNR-DZGCQCFKSA-N 2 2 247.386 2.617 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353236874 354811737 /nfs/dbraw/zinc/81/17/37/354811737.db2.gz DEFVQDFLQZNFRU-FRRDWIJNSA-N 2 2 247.386 2.683 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353236874 354811738 /nfs/dbraw/zinc/81/17/38/354811738.db2.gz DEFVQDFLQZNFRU-FRRDWIJNSA-N 2 2 247.386 2.683 20 0 BFADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000335174438 354941448 /nfs/dbraw/zinc/94/14/48/354941448.db2.gz SBWHVJCRZLFRPQ-BXUZGUMPSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1[nH+]cn(Cc2ccc(C)[nH+]c2C)c1C ZINC000335205827 355041222 /nfs/dbraw/zinc/04/12/22/355041222.db2.gz CPSHMJULFLNGBT-UHFFFAOYSA-N 2 2 215.300 2.560 20 0 BFADLP C[C@H](CCc1ccccc1)C[N@@H+]1CCC[NH2+]CC1 ZINC000346685059 355012009 /nfs/dbraw/zinc/01/20/09/355012009.db2.gz IGKRXNBKWZTNRN-OAHLLOKOSA-N 2 2 246.398 2.551 20 0 BFADLP C[C@H](CCc1ccccc1)C[N@H+]1CCC[NH2+]CC1 ZINC000346685059 355012012 /nfs/dbraw/zinc/01/20/12/355012012.db2.gz IGKRXNBKWZTNRN-OAHLLOKOSA-N 2 2 246.398 2.551 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000346797867 355107470 /nfs/dbraw/zinc/10/74/70/355107470.db2.gz LSPFGGTUAUUTLM-ARILJUKYSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)[C@H](C)C1 ZINC000346797867 355107474 /nfs/dbraw/zinc/10/74/74/355107474.db2.gz LSPFGGTUAUUTLM-ARILJUKYSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000335779988 355406899 /nfs/dbraw/zinc/40/68/99/355406899.db2.gz WLRLTMRECRPNFD-CYBMUJFWSA-N 2 2 236.334 2.700 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000335779988 355406902 /nfs/dbraw/zinc/40/69/02/355406902.db2.gz WLRLTMRECRPNFD-CYBMUJFWSA-N 2 2 236.334 2.700 20 0 BFADLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000414960407 191633433 /nfs/dbraw/zinc/63/34/33/191633433.db2.gz UWJNUZZQNFUWCM-JTQLQIEISA-N 2 2 248.301 2.523 20 0 BFADLP CCc1[nH+]ccn1Cc1ccc(C)[nH+]c1C ZINC000335873070 355640561 /nfs/dbraw/zinc/64/05/61/355640561.db2.gz FVKHVNNWDROFNQ-UHFFFAOYSA-N 2 2 215.300 2.506 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389166572 355741528 /nfs/dbraw/zinc/74/15/28/355741528.db2.gz MSIMRTUNJXDXQZ-JKSUJKDBSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389166572 355741530 /nfs/dbraw/zinc/74/15/30/355741530.db2.gz MSIMRTUNJXDXQZ-JKSUJKDBSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353247349 355744593 /nfs/dbraw/zinc/74/45/93/355744593.db2.gz IZKMJEADKPDZCX-JTNHKYCSSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353247349 355744597 /nfs/dbraw/zinc/74/45/97/355744597.db2.gz IZKMJEADKPDZCX-JTNHKYCSSA-N 2 2 247.386 2.681 20 0 BFADLP Cc1ccccc1C[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417355532 191790952 /nfs/dbraw/zinc/79/09/52/191790952.db2.gz OBJXUTDSZJKTHY-CQSZACIVSA-N 2 2 246.398 2.610 20 0 BFADLP CC1([NH+]2CCCC2)CC[NH+](Cc2ccco2)CC1 ZINC000639375233 355889389 /nfs/dbraw/zinc/88/93/89/355889389.db2.gz SAPXAEWXFKKZEY-UHFFFAOYSA-N 2 2 248.370 2.730 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)C[C@H](C)C(C)(C)C)n1C ZINC000639398862 356117606 /nfs/dbraw/zinc/11/76/06/356117606.db2.gz MAJPPEOBYIMLOT-NSHDSACASA-N 2 2 237.391 2.843 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)C[C@H](C)C(C)(C)C)n1C ZINC000639398862 356117611 /nfs/dbraw/zinc/11/76/11/356117611.db2.gz MAJPPEOBYIMLOT-NSHDSACASA-N 2 2 237.391 2.843 20 0 BFADLP CCC[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000335919276 356167226 /nfs/dbraw/zinc/16/72/26/356167226.db2.gz VNVCKDNWAKNXAR-CYBMUJFWSA-N 2 2 247.386 2.809 20 0 BFADLP CCC[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000335919276 356167230 /nfs/dbraw/zinc/16/72/30/356167230.db2.gz VNVCKDNWAKNXAR-CYBMUJFWSA-N 2 2 247.386 2.809 20 0 BFADLP CCC(F)(F)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000639457892 356242755 /nfs/dbraw/zinc/24/27/55/356242755.db2.gz FQVIWXZRKPMBSR-UHFFFAOYSA-N 2 2 248.361 2.695 20 0 BFADLP C[C@](C[NH3+])([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000420281737 192199503 /nfs/dbraw/zinc/19/95/03/192199503.db2.gz AIKAVJDHHLFQRZ-OAHLLOKOSA-N 2 2 244.338 2.650 20 0 BFADLP CC(C)C[C@H]1CCCCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000420309416 192210705 /nfs/dbraw/zinc/21/07/05/192210705.db2.gz TVSBLTBLTWKOSP-CHWSQXEVSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@H]1CCCCC[N@H+]1C[C@@H](C)[NH3+] ZINC000420309416 192210707 /nfs/dbraw/zinc/21/07/07/192210707.db2.gz TVSBLTBLTWKOSP-CHWSQXEVSA-N 2 2 212.381 2.624 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)c1 ZINC000420355683 192219225 /nfs/dbraw/zinc/21/92/25/192219225.db2.gz CEZYWWZQCMQPOS-SQWLQELKSA-N 2 2 246.398 2.780 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)cc1C ZINC000420357824 192220343 /nfs/dbraw/zinc/22/03/43/192220343.db2.gz DTGJYKRAKMWVEQ-DUVNUKRYSA-N 2 2 246.398 2.780 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H](C)c2cn[nH]c2)c(C)[nH+]1 ZINC000639582399 356503218 /nfs/dbraw/zinc/50/32/18/356503218.db2.gz AMZMNBXXRMDVCI-LLVKDONJSA-N 2 2 244.342 2.581 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000336171073 134115294 /nfs/dbraw/zinc/11/52/94/134115294.db2.gz BXNJOCKMGSRPJU-GXFFZTMASA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000336171073 134115295 /nfs/dbraw/zinc/11/52/95/134115295.db2.gz BXNJOCKMGSRPJU-GXFFZTMASA-N 2 2 238.762 2.824 20 0 BFADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000639655106 356559701 /nfs/dbraw/zinc/55/97/01/356559701.db2.gz JBQGALKCSTVBGM-GWCFXTLKSA-N 2 2 218.344 2.847 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)[C@@H]2C)c(C)[nH+]1 ZINC000639655106 356559705 /nfs/dbraw/zinc/55/97/05/356559705.db2.gz JBQGALKCSTVBGM-GWCFXTLKSA-N 2 2 218.344 2.847 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022099155 356561766 /nfs/dbraw/zinc/56/17/66/356561766.db2.gz FZOPOZIUIAIYKH-CQSZACIVSA-N 2 2 236.334 2.572 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000022099155 356561769 /nfs/dbraw/zinc/56/17/69/356561769.db2.gz FZOPOZIUIAIYKH-CQSZACIVSA-N 2 2 236.334 2.572 20 0 BFADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421325203 192317690 /nfs/dbraw/zinc/31/76/90/192317690.db2.gz LAWVNAQSIANVIJ-CYBMUJFWSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421325203 192317693 /nfs/dbraw/zinc/31/76/93/192317693.db2.gz LAWVNAQSIANVIJ-CYBMUJFWSA-N 2 2 248.414 2.926 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+]C1CC2(C1)CCCCC2 ZINC000421341792 192319118 /nfs/dbraw/zinc/31/91/18/192319118.db2.gz MAZMRNKWRPITLF-UHFFFAOYSA-N 2 2 236.403 2.785 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422941901 192511987 /nfs/dbraw/zinc/51/19/87/192511987.db2.gz VYMSABXLXXOGJM-WQVCFCJDSA-N 2 2 244.382 2.712 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@@H](F)C2)c[nH+]1 ZINC000582234271 356636961 /nfs/dbraw/zinc/63/69/61/356636961.db2.gz ZLGNSKPQJNXPMO-ZIAGYGMSSA-N 2 2 236.334 2.803 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623635076 366318238 /nfs/dbraw/zinc/31/82/38/366318238.db2.gz SQCDIDITOWGHDX-VHDGCEQUSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623635076 366318243 /nfs/dbraw/zinc/31/82/43/366318243.db2.gz SQCDIDITOWGHDX-VHDGCEQUSA-N 2 2 236.403 2.663 20 0 BFADLP C[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179883445 366329400 /nfs/dbraw/zinc/32/94/00/366329400.db2.gz ZLNUDPMPQYUELK-CYBMUJFWSA-N 2 2 243.354 2.956 20 0 BFADLP C[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000179883445 366329404 /nfs/dbraw/zinc/32/94/04/366329404.db2.gz ZLNUDPMPQYUELK-CYBMUJFWSA-N 2 2 243.354 2.956 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000542472446 325029825 /nfs/dbraw/zinc/02/98/25/325029825.db2.gz KKZUUCVDNQIGRA-TUVASFSCSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000542472446 325029832 /nfs/dbraw/zinc/02/98/32/325029832.db2.gz KKZUUCVDNQIGRA-TUVASFSCSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000450454886 202169135 /nfs/dbraw/zinc/16/91/35/202169135.db2.gz MWIWRGCBYRGXRB-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)[C@H](C)C1 ZINC000450454886 202169138 /nfs/dbraw/zinc/16/91/38/202169138.db2.gz MWIWRGCBYRGXRB-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000450454886 202169143 /nfs/dbraw/zinc/16/91/43/202169143.db2.gz MWIWRGCBYRGXRB-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000450454886 202169146 /nfs/dbraw/zinc/16/91/46/202169146.db2.gz MWIWRGCBYRGXRB-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353596748 356714862 /nfs/dbraw/zinc/71/48/62/356714862.db2.gz OMFQXEDCGDYCOF-NEPJUHHUSA-N 2 2 235.375 2.825 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353596748 356714864 /nfs/dbraw/zinc/71/48/64/356714864.db2.gz OMFQXEDCGDYCOF-NEPJUHHUSA-N 2 2 235.375 2.825 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c(C)[nH+]1 ZINC000639859546 356866756 /nfs/dbraw/zinc/86/67/56/356866756.db2.gz GIZJRPDQZOXLAY-ZIAGYGMSSA-N 2 2 230.355 2.849 20 0 BFADLP Cc1cc(C)c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(C)[nH+]1 ZINC000639859546 356866759 /nfs/dbraw/zinc/86/67/59/356866759.db2.gz GIZJRPDQZOXLAY-ZIAGYGMSSA-N 2 2 230.355 2.849 20 0 BFADLP CC1(C)Cc2occc2[C@H]([NH2+][C@@H]2CCC[NH2+]C2)C1 ZINC000423179428 192612522 /nfs/dbraw/zinc/61/25/22/192612522.db2.gz DEOYMNSEMUWPNM-DGCLKSJQSA-N 2 2 248.370 2.635 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000362911679 356950381 /nfs/dbraw/zinc/95/03/81/356950381.db2.gz CJPUBQITWFOHBM-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC2(CC2)CC1 ZINC000362911679 356950387 /nfs/dbraw/zinc/95/03/87/356950387.db2.gz CJPUBQITWFOHBM-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423222372 192634026 /nfs/dbraw/zinc/63/40/26/192634026.db2.gz ASPNYYMNULAIBV-VIFPVBQESA-N 2 2 246.276 2.575 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000222005503 357225472 /nfs/dbraw/zinc/22/54/72/357225472.db2.gz NEDHMJBUQOIWRX-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000222005503 357225476 /nfs/dbraw/zinc/22/54/76/357225476.db2.gz NEDHMJBUQOIWRX-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C1CCC(C[NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000393879016 357305186 /nfs/dbraw/zinc/30/51/86/357305186.db2.gz JQNPOFMUBJHEEX-NFOMZHRRSA-N 2 2 240.435 2.989 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000582677921 357367270 /nfs/dbraw/zinc/36/72/70/357367270.db2.gz XYGONSUUTVCPIO-LBPRGKRZSA-N 2 2 235.375 2.953 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000157798238 538839795 /nfs/dbraw/zinc/83/97/95/538839795.db2.gz NPAACDKLQMEUON-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000157798238 538839801 /nfs/dbraw/zinc/83/98/01/538839801.db2.gz NPAACDKLQMEUON-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@H+](C)C1CC1 ZINC000230394572 357533094 /nfs/dbraw/zinc/53/30/94/357533094.db2.gz GWCMVMFJEHVJQA-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC(C)(C)C1)[N@@H+](C)C1CC1 ZINC000230394572 357533097 /nfs/dbraw/zinc/53/30/97/357533097.db2.gz GWCMVMFJEHVJQA-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP CC/C=C\CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000588475803 538851628 /nfs/dbraw/zinc/85/16/28/538851628.db2.gz AOLUMRJULJIDNB-ABCZVMIZSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C\CC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000588475803 538851635 /nfs/dbraw/zinc/85/16/35/538851635.db2.gz AOLUMRJULJIDNB-ABCZVMIZSA-N 2 2 236.403 2.903 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000167330615 535363806 /nfs/dbraw/zinc/36/38/06/535363806.db2.gz ZNCDLXPLVWSUCW-OLZOCXBDSA-N 2 2 212.381 2.661 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000233356201 357712964 /nfs/dbraw/zinc/71/29/64/357712964.db2.gz ORAQFSXJVBHZAA-GJZGRUSLSA-N 2 2 232.371 2.869 20 0 BFADLP CCC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000233356395 357713118 /nfs/dbraw/zinc/71/31/18/357713118.db2.gz ORAQFSXJVBHZAA-CABCVRRESA-N 2 2 232.371 2.869 20 0 BFADLP CC[N@H+](C)CC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000233436938 357723542 /nfs/dbraw/zinc/72/35/42/357723542.db2.gz RZEUNWKDIZRJBG-TZMCWYRMSA-N 2 2 224.392 2.520 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000233436938 357723545 /nfs/dbraw/zinc/72/35/45/357723545.db2.gz RZEUNWKDIZRJBG-TZMCWYRMSA-N 2 2 224.392 2.520 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC000168557459 134226598 /nfs/dbraw/zinc/22/65/98/134226598.db2.gz SRQVDSLBJIDXJV-UKRRQHHQSA-N 2 2 234.387 2.547 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@]2(C)CCCC[C@@H]2C)n1C ZINC000584540651 358049182 /nfs/dbraw/zinc/04/91/82/358049182.db2.gz GWTUGUMUSSUONX-FZMZJTMJSA-N 2 2 235.375 2.787 20 0 BFADLP CC[N@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000134110781 325343907 /nfs/dbraw/zinc/34/39/07/325343907.db2.gz GMCNDHYALXIJLC-ZIAGYGMSSA-N 2 2 224.392 2.520 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000134110781 325343911 /nfs/dbraw/zinc/34/39/11/325343911.db2.gz GMCNDHYALXIJLC-ZIAGYGMSSA-N 2 2 224.392 2.520 20 0 BFADLP CCC[C@H](CC)[NH2+]CCCCn1cc[nH+]c1 ZINC000224599832 358234924 /nfs/dbraw/zinc/23/49/24/358234924.db2.gz ZIIOVQACHLZLQR-ZDUSSCGKSA-N 2 2 223.364 2.832 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000132520459 491132260 /nfs/dbraw/zinc/13/22/60/491132260.db2.gz QHIAHHXEFOQQEQ-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000132520459 491132261 /nfs/dbraw/zinc/13/22/61/491132261.db2.gz QHIAHHXEFOQQEQ-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000235700533 358435662 /nfs/dbraw/zinc/43/56/62/358435662.db2.gz LJHPULKHOALZMN-OCCSQVGLSA-N 2 2 238.419 2.909 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000044684979 358552452 /nfs/dbraw/zinc/55/24/52/358552452.db2.gz NYBQEJNBYCIVAV-FZMZJTMJSA-N 2 2 248.345 2.713 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1cccc(F)c1 ZINC000044684979 358552453 /nfs/dbraw/zinc/55/24/53/358552453.db2.gz NYBQEJNBYCIVAV-FZMZJTMJSA-N 2 2 248.345 2.713 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(C)C ZINC000132856103 358737797 /nfs/dbraw/zinc/73/77/97/358737797.db2.gz ZENOPBHRWKTXKD-OBJOEFQTSA-N 2 2 224.392 2.636 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C(C)C ZINC000132856103 358737799 /nfs/dbraw/zinc/73/77/99/358737799.db2.gz ZENOPBHRWKTXKD-OBJOEFQTSA-N 2 2 224.392 2.636 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000134101418 358780768 /nfs/dbraw/zinc/78/07/68/358780768.db2.gz RPMDWOWTQCQQQX-ILXRZTDVSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000134101418 358780771 /nfs/dbraw/zinc/78/07/71/358780771.db2.gz RPMDWOWTQCQQQX-ILXRZTDVSA-N 2 2 236.403 2.663 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000423307820 192695701 /nfs/dbraw/zinc/69/57/01/192695701.db2.gz HWBHKBBNOBNBQE-CJNGLKHVSA-N 2 2 246.398 2.818 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CCCC1 ZINC000054081062 358850655 /nfs/dbraw/zinc/85/06/55/358850655.db2.gz ZFCLVBYHIDBFOD-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCCC1)C1CCCC1 ZINC000054081246 358850969 /nfs/dbraw/zinc/85/09/69/358850969.db2.gz SDDLPFLPLHERFE-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC000177312449 134299466 /nfs/dbraw/zinc/29/94/66/134299466.db2.gz DPYAZGSTQVZZSA-KGLIPLIRSA-N 2 2 222.376 2.511 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC=C(C)C ZINC000177312449 134299467 /nfs/dbraw/zinc/29/94/67/134299467.db2.gz DPYAZGSTQVZZSA-KGLIPLIRSA-N 2 2 222.376 2.511 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC=C(C)C ZINC000177312449 134299468 /nfs/dbraw/zinc/29/94/68/134299468.db2.gz DPYAZGSTQVZZSA-KGLIPLIRSA-N 2 2 222.376 2.511 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C ZINC000177312449 134299469 /nfs/dbraw/zinc/29/94/69/134299469.db2.gz DPYAZGSTQVZZSA-KGLIPLIRSA-N 2 2 222.376 2.511 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000071107814 359070957 /nfs/dbraw/zinc/07/09/57/359070957.db2.gz FAPQRTXRYUJCPT-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)c1[nH+]ccn1Cc1cn2ccccc2[nH+]1 ZINC000070423046 359053259 /nfs/dbraw/zinc/05/32/59/359053259.db2.gz DGMVDISDICKDMN-UHFFFAOYSA-N 2 2 240.310 2.703 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000246820698 359167664 /nfs/dbraw/zinc/16/76/64/359167664.db2.gz UHESTDMLKCLFTH-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000246820698 359167669 /nfs/dbraw/zinc/16/76/69/359167669.db2.gz UHESTDMLKCLFTH-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP CC(C)CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247779679 359244915 /nfs/dbraw/zinc/24/49/15/359244915.db2.gz XJGWRWORZMGGAE-UONOGXRCSA-N 2 2 235.375 2.812 20 0 BFADLP CC(C)CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247779679 359244919 /nfs/dbraw/zinc/24/49/19/359244919.db2.gz XJGWRWORZMGGAE-UONOGXRCSA-N 2 2 235.375 2.812 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccncc1 ZINC000423384090 192759112 /nfs/dbraw/zinc/75/91/12/192759112.db2.gz JUYPYQKTSOPDCR-OCCSQVGLSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc2[nH+]ccn21 ZINC000180714038 366536713 /nfs/dbraw/zinc/53/67/13/366536713.db2.gz HUBIQFKLFKKXRY-VXGBXAGGSA-N 2 2 229.327 2.707 20 0 BFADLP CC1(C)CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000087771433 359926537 /nfs/dbraw/zinc/92/65/37/359926537.db2.gz CISCSWMVVACONR-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP c1ccc2c(c1)CCCC[N@H+]2CC1CC[NH2+]CC1 ZINC000088333730 359947034 /nfs/dbraw/zinc/94/70/34/359947034.db2.gz KDXJYLYOPIUWRL-UHFFFAOYSA-N 2 2 244.382 2.829 20 0 BFADLP c1ccc2c(c1)CCCC[N@@H+]2CC1CC[NH2+]CC1 ZINC000088333730 359947040 /nfs/dbraw/zinc/94/70/40/359947040.db2.gz KDXJYLYOPIUWRL-UHFFFAOYSA-N 2 2 244.382 2.829 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000088510403 359964464 /nfs/dbraw/zinc/96/44/64/359964464.db2.gz NLOLIEJEPISTPE-CABCVRRESA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000088510403 359964470 /nfs/dbraw/zinc/96/44/70/359964470.db2.gz NLOLIEJEPISTPE-CABCVRRESA-N 2 2 238.419 2.983 20 0 BFADLP CC[N@H+](CC[C@H]1CC[NH2+]C1)c1cccc(C)c1 ZINC000089749174 360036648 /nfs/dbraw/zinc/03/66/48/360036648.db2.gz LZHVRVMVGKGAAI-CQSZACIVSA-N 2 2 232.371 2.821 20 0 BFADLP CC[N@@H+](CC[C@H]1CC[NH2+]C1)c1cccc(C)c1 ZINC000089749174 360036652 /nfs/dbraw/zinc/03/66/52/360036652.db2.gz LZHVRVMVGKGAAI-CQSZACIVSA-N 2 2 232.371 2.821 20 0 BFADLP CC[N@H+](CC[C@@H]1CC[NH2+]C1)c1ccccc1C ZINC000089749064 360036660 /nfs/dbraw/zinc/03/66/60/360036660.db2.gz RYVDPVKSMBXZJR-AWEZNQCLSA-N 2 2 232.371 2.821 20 0 BFADLP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)c1ccccc1C ZINC000089749064 360036666 /nfs/dbraw/zinc/03/66/66/360036666.db2.gz RYVDPVKSMBXZJR-AWEZNQCLSA-N 2 2 232.371 2.821 20 0 BFADLP c1cc(C2CC2)ccc1C[NH2+]CC[NH+]1CCCC1 ZINC000094518030 360310449 /nfs/dbraw/zinc/31/04/49/360310449.db2.gz IEXQWHQMDUTVCV-UHFFFAOYSA-N 2 2 244.382 2.749 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000309592633 491152784 /nfs/dbraw/zinc/15/27/84/491152784.db2.gz VGAKOIWOHYYEQZ-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000309592633 491152785 /nfs/dbraw/zinc/15/27/85/491152785.db2.gz VGAKOIWOHYYEQZ-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1Cl ZINC000414981098 200786918 /nfs/dbraw/zinc/78/69/18/200786918.db2.gz QFUBJSKSMPVPCI-JTQLQIEISA-N 2 2 247.169 2.820 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c(C)cc(C)cc1C ZINC000629390272 361037581 /nfs/dbraw/zinc/03/75/81/361037581.db2.gz CKMYMRYIVPGLIZ-JKSUJKDBSA-N 2 2 246.398 2.842 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629394160 361042941 /nfs/dbraw/zinc/04/29/41/361042941.db2.gz FWFKZPZPADKECQ-KGLIPLIRSA-N 2 2 232.371 2.534 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cccc(C)c1C ZINC000629390835 361045607 /nfs/dbraw/zinc/04/56/07/361045607.db2.gz NQVOOUKIKNWTHY-LSDHHAIUSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629396832 361046896 /nfs/dbraw/zinc/04/68/96/361046896.db2.gz VBHLLXKKNHENDZ-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629405936 361054233 /nfs/dbraw/zinc/05/42/33/361054233.db2.gz MVCJSXWSNSUHAK-SWLSCSKDSA-N 2 2 232.371 2.650 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000629527626 361134376 /nfs/dbraw/zinc/13/43/76/361134376.db2.gz ALKMBYAIERKRJN-MSQAHXEGSA-N 2 2 244.382 2.965 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cc(C)oc1C ZINC000629525874 361126758 /nfs/dbraw/zinc/12/67/58/361126758.db2.gz FBSPKMSWCYODDJ-DDTOSNHZSA-N 2 2 236.359 2.688 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000629526119 361127200 /nfs/dbraw/zinc/12/72/00/361127200.db2.gz LBKXDMYCAAEORB-RRFJBIMHSA-N 2 2 248.345 2.543 20 0 BFADLP CC(C)C(C[N@@H+]1CC[NH+]2CCC1CC2)C(C)C ZINC000579287876 366753339 /nfs/dbraw/zinc/75/33/39/366753339.db2.gz XRACAFRDZXXRFK-UHFFFAOYSA-N 2 2 238.419 2.695 20 0 BFADLP CC(C)C(C[N@H+]1CC[NH+]2CCC1CC2)C(C)C ZINC000579287876 366753346 /nfs/dbraw/zinc/75/33/46/366753346.db2.gz XRACAFRDZXXRFK-UHFFFAOYSA-N 2 2 238.419 2.695 20 0 BFADLP Cc1[nH+]ccn1CCCc1[nH]c2ccccc2[nH+]1 ZINC000579311062 366757135 /nfs/dbraw/zinc/75/71/35/366757135.db2.gz RPVMMTYRBZARSF-UHFFFAOYSA-N 2 2 240.310 2.701 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629540868 361415317 /nfs/dbraw/zinc/41/53/17/361415317.db2.gz YDRUBJYQMSKYJK-XEZPLFJOSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c2ccccc21 ZINC000629541000 361415509 /nfs/dbraw/zinc/41/55/09/361415509.db2.gz QJJYGZLCVRAYLH-ZWUHOBOKSA-N 2 2 244.382 2.965 20 0 BFADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534785 361408577 /nfs/dbraw/zinc/40/85/77/361408577.db2.gz AYBJBDWFUGOUMG-CQJJVWNLSA-N 2 2 244.382 2.650 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)[C@@H](C)C2 ZINC000629544920 361424872 /nfs/dbraw/zinc/42/48/72/361424872.db2.gz NRALGDGKJOVGKG-YXAMBPQSSA-N 2 2 244.382 2.568 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629545592 361426456 /nfs/dbraw/zinc/42/64/56/361426456.db2.gz MUCASVLLOXWAHZ-TYNCELHUSA-N 2 2 232.371 2.650 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000629545949 361426701 /nfs/dbraw/zinc/42/67/01/361426701.db2.gz TYUCZVFIBQKGEZ-COLVAYQJSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(Cl)c1 ZINC000629546436 361428220 /nfs/dbraw/zinc/42/82/20/361428220.db2.gz WXDLDZVLZSPMDY-OUJBWJOFSA-N 2 2 238.762 2.741 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000629549668 361441686 /nfs/dbraw/zinc/44/16/86/361441686.db2.gz YCBQCXCCUVGTLW-CYZMBNFOSA-N 2 2 248.370 2.633 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000629569708 361461737 /nfs/dbraw/zinc/46/17/37/361461737.db2.gz YWYXZWAWZMXZOJ-JKSUJKDBSA-N 2 2 244.382 2.794 20 0 BFADLP C[NH2+]c1ccc(N[C@H](C)C[C@@H]2CCC[NH2+]2)cc1 ZINC000629656773 361561264 /nfs/dbraw/zinc/56/12/64/361561264.db2.gz QNJYATRZEYCNHW-RISCZKNCSA-N 2 2 233.359 2.671 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C3CC3)cc2)C[NH2+]1 ZINC000629660252 361564388 /nfs/dbraw/zinc/56/43/88/361564388.db2.gz QSTDXXINPMRPOD-BLLLJJGKSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@H]1C[NH+](CC[NH2+]C(C)(C)C)C[C@H](C)C1(F)F ZINC000629649920 361546138 /nfs/dbraw/zinc/54/61/38/361546138.db2.gz LCWLEHHZMTXZCX-QWRGUYRKSA-N 2 2 248.361 2.598 20 0 BFADLP C[C@@H]1C[N@@H+](CC[NH2+]C(C)(C)C)C[C@H](C)C1(F)F ZINC000629649919 361546802 /nfs/dbraw/zinc/54/68/02/361546802.db2.gz LCWLEHHZMTXZCX-PHIMTYICSA-N 2 2 248.361 2.598 20 0 BFADLP C[C@@H]1C[N@H+](CC[NH2+]C(C)(C)C)C[C@H](C)C1(F)F ZINC000629649919 361546805 /nfs/dbraw/zinc/54/68/05/361546805.db2.gz LCWLEHHZMTXZCX-PHIMTYICSA-N 2 2 248.361 2.598 20 0 BFADLP C[NH2+]c1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000629653701 361553017 /nfs/dbraw/zinc/55/30/17/361553017.db2.gz MGCWMNQZGPHZCX-TYNCELHUSA-N 2 2 245.370 2.528 20 0 BFADLP C[NH2+]c1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000629653703 361553423 /nfs/dbraw/zinc/55/34/23/361553423.db2.gz MGCWMNQZGPHZCX-YWPYICTPSA-N 2 2 245.370 2.528 20 0 BFADLP CCCc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)c1 ZINC000629654361 361554709 /nfs/dbraw/zinc/55/47/09/361554709.db2.gz PSORSGVBGMUDCP-JKSUJKDBSA-N 2 2 246.398 2.869 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1cc2cc(C)c(C)cc2o1 ZINC000629651241 361555862 /nfs/dbraw/zinc/55/58/62/361555862.db2.gz MOSZTKGWKTUYAL-UHFFFAOYSA-N 2 2 246.354 2.830 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1cc2cc(C)c(C)cc2o1 ZINC000629651241 361555866 /nfs/dbraw/zinc/55/58/66/361555866.db2.gz MOSZTKGWKTUYAL-UHFFFAOYSA-N 2 2 246.354 2.830 20 0 BFADLP CC[C@@H](Cc1cccs1)[NH2+][C@@H](C)C[NH+](C)C ZINC000310001360 491158978 /nfs/dbraw/zinc/15/89/78/491158978.db2.gz DZDGSTGQUWZFGG-RYUDHWBXSA-N 2 2 240.416 2.609 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000434762312 201239654 /nfs/dbraw/zinc/23/96/54/201239654.db2.gz AIOLAANDGOEUJJ-UPJWGTAASA-N 2 2 247.386 2.612 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@@H](C)C3)n2c1 ZINC000436412324 201324485 /nfs/dbraw/zinc/32/44/85/201324485.db2.gz RUCLWDOZEAUEFF-YPMHNXCESA-N 2 2 243.354 2.921 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000437106945 201343963 /nfs/dbraw/zinc/34/39/63/201343963.db2.gz NXBGNMIYYLTSLC-OCCSQVGLSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C(C)(C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000437106945 201343967 /nfs/dbraw/zinc/34/39/67/201343967.db2.gz NXBGNMIYYLTSLC-OCCSQVGLSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000328252025 363865625 /nfs/dbraw/zinc/86/56/25/363865625.db2.gz KTTDLKOIWSYYCD-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000328252025 363865635 /nfs/dbraw/zinc/86/56/35/363865635.db2.gz KTTDLKOIWSYYCD-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348076438 541303386 /nfs/dbraw/zinc/30/33/86/541303386.db2.gz CZOOJWCQRWYEDA-BPLDGKMQSA-N 2 2 236.403 2.639 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000399016757 364723690 /nfs/dbraw/zinc/72/36/90/364723690.db2.gz GHRLKFZSHGVQLY-QWRGUYRKSA-N 2 2 238.400 2.541 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)s1 ZINC000399016760 364724095 /nfs/dbraw/zinc/72/40/95/364724095.db2.gz GHRLKFZSHGVQLY-WDEREUQCSA-N 2 2 238.400 2.541 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccsc1C ZINC000294029131 364775214 /nfs/dbraw/zinc/77/52/14/364775214.db2.gz HWUXWWZALNHZFX-CYBMUJFWSA-N 2 2 238.400 2.630 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccsc1C ZINC000294029131 364775221 /nfs/dbraw/zinc/77/52/21/364775221.db2.gz HWUXWWZALNHZFX-CYBMUJFWSA-N 2 2 238.400 2.630 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccsc1C ZINC000294029134 364775882 /nfs/dbraw/zinc/77/58/82/364775882.db2.gz HWUXWWZALNHZFX-ZDUSSCGKSA-N 2 2 238.400 2.630 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccsc1C ZINC000294029134 364775887 /nfs/dbraw/zinc/77/58/87/364775887.db2.gz HWUXWWZALNHZFX-ZDUSSCGKSA-N 2 2 238.400 2.630 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000434754475 541390579 /nfs/dbraw/zinc/39/05/79/541390579.db2.gz GHWBYCOXKSYKKD-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000434754475 541390584 /nfs/dbraw/zinc/39/05/84/541390584.db2.gz GHWBYCOXKSYKKD-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C2CCC1CC2 ZINC000574245494 365019024 /nfs/dbraw/zinc/01/90/24/365019024.db2.gz BGKNQPZCTDAGRZ-NRXISQOPSA-N 2 2 236.403 2.876 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C2CCC1CC2 ZINC000574245494 365019028 /nfs/dbraw/zinc/01/90/28/365019028.db2.gz BGKNQPZCTDAGRZ-NRXISQOPSA-N 2 2 236.403 2.876 20 0 BFADLP c1cn(CCCC[NH2+][C@H]2CCCC23CC3)c[nH+]1 ZINC000576122604 365494858 /nfs/dbraw/zinc/49/48/58/365494858.db2.gz HESFVZJWPYMCNJ-ZDUSSCGKSA-N 2 2 233.359 2.586 20 0 BFADLP CC(C)CC[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182681695 366931034 /nfs/dbraw/zinc/93/10/34/366931034.db2.gz ITIBFWOJZUAICC-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)CC[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182681695 366931035 /nfs/dbraw/zinc/93/10/35/366931035.db2.gz ITIBFWOJZUAICC-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000183161899 366981714 /nfs/dbraw/zinc/98/17/14/366981714.db2.gz NOPKTQBFKACWHP-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP CC[N@@H+](CCCn1cc[nH+]c1)C1CCCC1 ZINC000183161899 366981717 /nfs/dbraw/zinc/98/17/17/366981717.db2.gz NOPKTQBFKACWHP-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP C[C@H](C[NH2+]C[C@@H]1CCCC[C@@H]1C)Cn1cc[nH+]c1 ZINC000183565873 367030906 /nfs/dbraw/zinc/03/09/06/367030906.db2.gz WHLWBOVAIGDWCQ-ILXRZTDVSA-N 2 2 249.402 2.935 20 0 BFADLP Clc1sccc1C[NH2+]CCC[NH+]1CCC1 ZINC000581320467 367346698 /nfs/dbraw/zinc/34/66/98/367346698.db2.gz FHROXMARWOSUSH-UHFFFAOYSA-N 2 2 244.791 2.587 20 0 BFADLP CC[NH+](CC)CCC[N@H+](CC)CC1(F)CC1 ZINC000581241813 367302895 /nfs/dbraw/zinc/30/28/95/367302895.db2.gz DDARFWFMEGKTDM-UHFFFAOYSA-N 2 2 230.371 2.542 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](CC)CC1(F)CC1 ZINC000581241813 367302902 /nfs/dbraw/zinc/30/29/02/367302902.db2.gz DDARFWFMEGKTDM-UHFFFAOYSA-N 2 2 230.371 2.542 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1CCCCCC1)[NH+](C)C ZINC000381502071 367420325 /nfs/dbraw/zinc/42/03/25/367420325.db2.gz PCVNAQHXIYNLSK-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc(CCC[NH2+]C2(C)CCC2)c[nH+]1 ZINC000381554726 367429910 /nfs/dbraw/zinc/42/99/10/367429910.db2.gz OFHHMIJKLMOOLN-UHFFFAOYSA-N 2 2 218.344 2.855 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C)CC(C)(C)C ZINC000384681497 367715199 /nfs/dbraw/zinc/71/51/99/367715199.db2.gz DTADDSOFGJQUTC-GFCCVEGCSA-N 2 2 214.397 2.743 20 0 BFADLP CC[N@H+](CC[NH2+][C@H](C)CC(C)(C)C)C1CC1 ZINC000385092344 367787855 /nfs/dbraw/zinc/78/78/55/367787855.db2.gz GJIKIODEHRPKAT-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H](C)CC(C)(C)C)C1CC1 ZINC000385092344 367787859 /nfs/dbraw/zinc/78/78/59/367787859.db2.gz GJIKIODEHRPKAT-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CC(C)(C)C ZINC000385271086 367815481 /nfs/dbraw/zinc/81/54/81/367815481.db2.gz YAWLVFBLEPQIRF-NWDGAFQWSA-N 2 2 223.364 2.686 20 0 BFADLP CCc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000386075589 367909373 /nfs/dbraw/zinc/90/93/73/367909373.db2.gz GABLPGXZLGIPNL-XJKSGUPXSA-N 2 2 246.398 2.869 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccsc1 ZINC000399280621 368063704 /nfs/dbraw/zinc/06/37/04/368063704.db2.gz XHIKPDNKBPSXKP-SCVCMEIPSA-N 2 2 224.373 2.539 20 0 BFADLP CCCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069608680 368756573 /nfs/dbraw/zinc/75/65/73/368756573.db2.gz IJZNYRYSNWVDET-CQSZACIVSA-N 2 2 224.392 2.737 20 0 BFADLP CCCC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069608680 368756576 /nfs/dbraw/zinc/75/65/76/368756576.db2.gz IJZNYRYSNWVDET-CQSZACIVSA-N 2 2 224.392 2.737 20 0 BFADLP CC1(C)CCC[C@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000086906703 368886583 /nfs/dbraw/zinc/88/65/83/368886583.db2.gz ATSBNUJSLBWUAB-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCCC[C@H]1C ZINC000459405227 203277208 /nfs/dbraw/zinc/27/72/08/203277208.db2.gz DXYQVGJATIFLAE-HIFRSBDPSA-N 2 2 249.402 2.863 20 0 BFADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCCC[C@H]1C ZINC000459405227 203277210 /nfs/dbraw/zinc/27/72/10/203277210.db2.gz DXYQVGJATIFLAE-HIFRSBDPSA-N 2 2 249.402 2.863 20 0 BFADLP Cc1cccc(CCC[NH2+]C(C)(C)C[NH+](C)C)c1 ZINC000459551847 203298580 /nfs/dbraw/zinc/29/85/80/203298580.db2.gz SYKDGUMFJMOCLE-UHFFFAOYSA-N 2 2 248.414 2.857 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCCCC(F)(F)F ZINC000459551857 203298905 /nfs/dbraw/zinc/29/89/05/203298905.db2.gz TVZKNQZCVOJUKV-UHFFFAOYSA-N 2 2 240.313 2.649 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CC1CCC(F)(F)CC1 ZINC000459569539 203304631 /nfs/dbraw/zinc/30/46/31/203304631.db2.gz YQYBKTOXFCTMIO-UHFFFAOYSA-N 2 2 248.361 2.742 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459660333 203331232 /nfs/dbraw/zinc/33/12/32/203331232.db2.gz KYVBFWXFRVHMKN-UKRRQHHQSA-N 2 2 247.386 2.545 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC[C@H]2C2CC2)c1 ZINC000459672788 203333473 /nfs/dbraw/zinc/33/34/73/203333473.db2.gz YICITZMAFAAIRG-GJZGRUSLSA-N 2 2 247.386 2.521 20 0 BFADLP CCCC[C@H]1CCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459662728 203333625 /nfs/dbraw/zinc/33/36/25/203333625.db2.gz NQYILNFQSKWDKX-ZFWWWQNUSA-N 2 2 249.402 2.911 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCC[C@@H]2C2CC2)c1 ZINC000459672789 203333884 /nfs/dbraw/zinc/33/38/84/203333884.db2.gz YICITZMAFAAIRG-HUUCEWRRSA-N 2 2 247.386 2.521 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631862121 369476439 /nfs/dbraw/zinc/47/64/39/369476439.db2.gz LLCYUPGMMZJEJQ-IUODEOHRSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000631862121 369476444 /nfs/dbraw/zinc/47/64/44/369476444.db2.gz LLCYUPGMMZJEJQ-IUODEOHRSA-N 2 2 232.371 2.732 20 0 BFADLP CCC[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000252435051 370033721 /nfs/dbraw/zinc/03/37/21/370033721.db2.gz HSOXAHMYZYXRDR-UKRRQHHQSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000252435051 370033727 /nfs/dbraw/zinc/03/37/27/370033727.db2.gz HSOXAHMYZYXRDR-UKRRQHHQSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@@H](C[NH2+]C[C@H]1CCCC(C)(C)C1)[NH+](C)C ZINC000309791303 370260916 /nfs/dbraw/zinc/26/09/16/370260916.db2.gz ULHGGLZQSYDDND-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783057 370531836 /nfs/dbraw/zinc/53/18/36/370531836.db2.gz WOQZGGNJQHYHMA-UXIGCNINSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1cccc(F)c1)[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621783057 370531842 /nfs/dbraw/zinc/53/18/42/370531842.db2.gz WOQZGGNJQHYHMA-UXIGCNINSA-N 2 2 248.345 2.700 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000623785971 371092865 /nfs/dbraw/zinc/09/28/65/371092865.db2.gz PBRPCSIIEUQBGL-HKLWWIALSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000623785971 371092870 /nfs/dbraw/zinc/09/28/70/371092870.db2.gz PBRPCSIIEUQBGL-HKLWWIALSA-N 2 2 248.345 2.523 20 0 BFADLP Cc1ccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c(C)[nH+]1 ZINC000623942240 371169010 /nfs/dbraw/zinc/16/90/10/371169010.db2.gz BVSVJPVCCQMUHM-ZDUSSCGKSA-N 2 2 247.386 2.983 20 0 BFADLP Cc1ccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c(C)[nH+]1 ZINC000623942240 371169012 /nfs/dbraw/zinc/16/90/12/371169012.db2.gz BVSVJPVCCQMUHM-ZDUSSCGKSA-N 2 2 247.386 2.983 20 0 BFADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101154 371305850 /nfs/dbraw/zinc/30/58/50/371305850.db2.gz MRPACSCVDUIIQG-JGGQBBKZSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101154 371305854 /nfs/dbraw/zinc/30/58/54/371305854.db2.gz MRPACSCVDUIIQG-JGGQBBKZSA-N 2 2 244.382 2.604 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100994 371306692 /nfs/dbraw/zinc/30/66/92/371306692.db2.gz CVYHJPOTTNNGMZ-MCIONIFRSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100994 371306699 /nfs/dbraw/zinc/30/66/99/371306699.db2.gz CVYHJPOTTNNGMZ-MCIONIFRSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000624101686 371307992 /nfs/dbraw/zinc/30/79/92/371307992.db2.gz VFVJBJWKANTEAE-ZENOOKHLSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc21 ZINC000624101686 371307997 /nfs/dbraw/zinc/30/79/97/371307997.db2.gz VFVJBJWKANTEAE-ZENOOKHLSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CC(C)(C)C ZINC000163939076 372078891 /nfs/dbraw/zinc/07/88/91/372078891.db2.gz CPELVKTTXZWMGT-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000307618933 372132058 /nfs/dbraw/zinc/13/20/58/372132058.db2.gz VJAHYUKTNQTVPT-ZFWWWQNUSA-N 2 2 232.371 2.649 20 0 BFADLP CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000307618933 372132066 /nfs/dbraw/zinc/13/20/66/372132066.db2.gz VJAHYUKTNQTVPT-ZFWWWQNUSA-N 2 2 232.371 2.649 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(F)cc1Cl ZINC000414794799 205772908 /nfs/dbraw/zinc/77/29/08/205772908.db2.gz MFKLWJVTKSGHBJ-GFCCVEGCSA-N 2 2 244.741 2.552 20 0 BFADLP Cc1cc(C)c(COc2cc[nH+]cc2)c(C)[nH+]1 ZINC000634548207 374302243 /nfs/dbraw/zinc/30/22/43/374302243.db2.gz VOMMPNUAYWTTOG-UHFFFAOYSA-N 2 2 228.295 2.981 20 0 BFADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CC1(C)C ZINC000426555446 206052587 /nfs/dbraw/zinc/05/25/87/206052587.db2.gz LEUWHEDRZWJJFO-GFCCVEGCSA-N 2 2 229.327 2.565 20 0 BFADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@@H]1CC1(C)C ZINC000426555446 206052589 /nfs/dbraw/zinc/05/25/89/206052589.db2.gz LEUWHEDRZWJJFO-GFCCVEGCSA-N 2 2 229.327 2.565 20 0 BFADLP CC[N@H+](CC[NH2+][C@H](C)C1CCCC1)C1CC1 ZINC000155883805 206071014 /nfs/dbraw/zinc/07/10/14/206071014.db2.gz DDHJIVGRNOUAOW-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H](C)C1CCCC1)C1CC1 ZINC000155883805 206071017 /nfs/dbraw/zinc/07/10/17/206071017.db2.gz DDHJIVGRNOUAOW-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+](CC)C[C@H](C)Nc1cc(C)cc[nH+]1 ZINC000357777312 169128520 /nfs/dbraw/zinc/12/85/20/169128520.db2.gz ZIDCNXMZVRVBAK-ZDUSSCGKSA-N 2 2 235.375 2.922 20 0 BFADLP CCC[N@@H+](CC)C[C@H](C)Nc1cc(C)cc[nH+]1 ZINC000357777312 169128522 /nfs/dbraw/zinc/12/85/22/169128522.db2.gz ZIDCNXMZVRVBAK-ZDUSSCGKSA-N 2 2 235.375 2.922 20 0 BFADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000020189684 169189709 /nfs/dbraw/zinc/18/97/09/169189709.db2.gz GOYBQTBJNBGYFU-CYBMUJFWSA-N 2 2 247.386 2.607 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CCCC3(CC3)C2)[nH+]1 ZINC000186614287 183340315 /nfs/dbraw/zinc/34/03/15/183340315.db2.gz YQMGAFUOOQGFRX-UHFFFAOYSA-N 2 2 241.338 2.710 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CCCC3(CC3)C2)[nH+]1 ZINC000186614287 183340317 /nfs/dbraw/zinc/34/03/17/183340317.db2.gz YQMGAFUOOQGFRX-UHFFFAOYSA-N 2 2 241.338 2.710 20 0 BFADLP c1cc(O[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc[nH+]1 ZINC000120193850 183359701 /nfs/dbraw/zinc/35/97/01/183359701.db2.gz SUNMAGVIJIIMSB-OAHLLOKOSA-N 2 2 246.354 2.725 20 0 BFADLP c1cc(O[C@@H]2CC[N@H+](CC3CCCC3)C2)cc[nH+]1 ZINC000120193850 183359709 /nfs/dbraw/zinc/35/97/09/183359709.db2.gz SUNMAGVIJIIMSB-OAHLLOKOSA-N 2 2 246.354 2.725 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)[nH+]1 ZINC000180275173 183348816 /nfs/dbraw/zinc/34/88/16/183348816.db2.gz CZDRZHRPJFZBRR-BETUJISGSA-N 2 2 241.338 2.566 20 0 BFADLP c1cn2c(cccc2C[N@H+]2C[C@@H]3CCC[C@@H]3C2)[nH+]1 ZINC000180275173 183348819 /nfs/dbraw/zinc/34/88/19/183348819.db2.gz CZDRZHRPJFZBRR-BETUJISGSA-N 2 2 241.338 2.566 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@@H]2CC23CCCC3)[nH+]1 ZINC000336416220 183352480 /nfs/dbraw/zinc/35/24/80/183352480.db2.gz HKIBYBBUSWGGPB-CYBMUJFWSA-N 2 2 241.338 2.757 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1ccc(C(C)C)cc1 ZINC000228718139 169259202 /nfs/dbraw/zinc/25/92/02/169259202.db2.gz AEBDNUDXWPXFRD-UHFFFAOYSA-N 2 2 234.387 2.899 20 0 BFADLP c1ccc(C[N@H+]2CCC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000036904521 183397957 /nfs/dbraw/zinc/39/79/57/183397957.db2.gz RWVRDKZTVUJRMR-INIZCTEOSA-N 2 2 244.382 2.651 20 0 BFADLP c1ccc(C[N@@H+]2CCC[C@H]([NH2+]CC3CC3)C2)cc1 ZINC000036904521 183397958 /nfs/dbraw/zinc/39/79/58/183397958.db2.gz RWVRDKZTVUJRMR-INIZCTEOSA-N 2 2 244.382 2.651 20 0 BFADLP CCC[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000037241320 169283223 /nfs/dbraw/zinc/28/32/23/169283223.db2.gz HSOXAHMYZYXRDR-DZGCQCFKSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000037241320 169283224 /nfs/dbraw/zinc/28/32/24/169283224.db2.gz HSOXAHMYZYXRDR-DZGCQCFKSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[C@@H](C)[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000336743412 169374609 /nfs/dbraw/zinc/37/46/09/169374609.db2.gz PCDXZJIKCOOSKI-VXGBXAGGSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000336743412 169374610 /nfs/dbraw/zinc/37/46/10/169374610.db2.gz PCDXZJIKCOOSKI-VXGBXAGGSA-N 2 2 212.381 2.624 20 0 BFADLP CCC(CC)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179884487 134325209 /nfs/dbraw/zinc/32/52/09/134325209.db2.gz ZUWBDBFJSYUWEH-OAHLLOKOSA-N 2 2 238.419 2.983 20 0 BFADLP CCC(CC)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179884487 134325210 /nfs/dbraw/zinc/32/52/10/134325210.db2.gz ZUWBDBFJSYUWEH-OAHLLOKOSA-N 2 2 238.419 2.983 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC13CCCC3)CC2 ZINC000336415146 383830125 /nfs/dbraw/zinc/83/01/25/383830125.db2.gz YGRQSMKZBYABBW-CHWSQXEVSA-N 2 2 245.370 2.510 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000227574910 134385465 /nfs/dbraw/zinc/38/54/65/134385465.db2.gz UTYKQRHYASFWHA-YNEHKIRRSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313250116 384150640 /nfs/dbraw/zinc/15/06/40/384150640.db2.gz BJLXDFNVYXDBJF-LSDHHAIUSA-N 2 2 249.402 2.767 20 0 BFADLP CC1=CC[C@@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000560476941 384159034 /nfs/dbraw/zinc/15/90/34/384159034.db2.gz SXLUVEMZLUUDRF-CHWSQXEVSA-N 2 2 222.376 2.558 20 0 BFADLP CC1=CC[C@@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000560476941 384159037 /nfs/dbraw/zinc/15/90/37/384159037.db2.gz SXLUVEMZLUUDRF-CHWSQXEVSA-N 2 2 222.376 2.558 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000569516253 384162232 /nfs/dbraw/zinc/16/22/32/384162232.db2.gz HBLPKJVWULJDTR-HUUCEWRRSA-N 2 2 236.403 2.949 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000569516253 384162240 /nfs/dbraw/zinc/16/22/40/384162240.db2.gz HBLPKJVWULJDTR-HUUCEWRRSA-N 2 2 236.403 2.949 20 0 BFADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000313265154 384181868 /nfs/dbraw/zinc/18/18/68/384181868.db2.gz GQTJWDAAOCWSSD-GFCCVEGCSA-N 2 2 235.375 2.521 20 0 BFADLP CC1(C)CCC[C@@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000558569288 384188003 /nfs/dbraw/zinc/18/80/03/384188003.db2.gz FLXQDAHSDDHQHG-CYBMUJFWSA-N 2 2 247.386 2.915 20 0 BFADLP CC1(C)CCC[C@@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000558569288 384188010 /nfs/dbraw/zinc/18/80/10/384188010.db2.gz FLXQDAHSDDHQHG-CYBMUJFWSA-N 2 2 247.386 2.915 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000558699201 384251934 /nfs/dbraw/zinc/25/19/34/384251934.db2.gz CUVJFSFYLPQGFI-RRFJBIMHSA-N 2 2 230.355 2.711 20 0 BFADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000549038536 384261290 /nfs/dbraw/zinc/26/12/90/384261290.db2.gz DTMRTJQXXFWZIV-HNKHHVNMSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000549038536 384261298 /nfs/dbraw/zinc/26/12/98/384261298.db2.gz DTMRTJQXXFWZIV-HNKHHVNMSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H]2C2CC2)n1C ZINC000584243238 384328014 /nfs/dbraw/zinc/32/80/14/384328014.db2.gz UONUECUOKIZRCY-ZFWWWQNUSA-N 2 2 247.386 2.644 20 0 BFADLP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccoc1 ZINC000376595827 384396953 /nfs/dbraw/zinc/39/69/53/384396953.db2.gz RFDWWOYPFONSPP-LRVUVFPRSA-N 2 2 248.370 2.947 20 0 BFADLP CC1(C)CC(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000625142220 384418718 /nfs/dbraw/zinc/41/87/18/384418718.db2.gz WDGAAQDRNQYLEK-AWEZNQCLSA-N 2 2 247.386 2.956 20 0 BFADLP CC1(C)CC(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)C1 ZINC000625142220 384418728 /nfs/dbraw/zinc/41/87/28/384418728.db2.gz WDGAAQDRNQYLEK-AWEZNQCLSA-N 2 2 247.386 2.956 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000161201202 384471720 /nfs/dbraw/zinc/47/17/20/384471720.db2.gz WQULEBLMHMAJBL-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000161201202 384471726 /nfs/dbraw/zinc/47/17/26/384471726.db2.gz WQULEBLMHMAJBL-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000149371113 384480375 /nfs/dbraw/zinc/48/03/75/384480375.db2.gz CCUMMBIGXKFYBV-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000037153838 384486042 /nfs/dbraw/zinc/48/60/42/384486042.db2.gz GPECCZFAHFPRCW-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)o1 ZINC000151162143 384549000 /nfs/dbraw/zinc/54/90/00/384549000.db2.gz IJPPVAWLUCLQIO-LBPRGKRZSA-N 2 2 247.342 2.779 20 0 BFADLP c1ccc2c(c1)CC[C@@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000049574549 384549795 /nfs/dbraw/zinc/54/97/95/384549795.db2.gz ADLCIDMDZVFANZ-INIZCTEOSA-N 2 2 244.382 2.749 20 0 BFADLP CC1=CC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)CC1 ZINC000556863102 384553431 /nfs/dbraw/zinc/55/34/31/384553431.db2.gz RGDIIEDGYUJNDH-ZDUSSCGKSA-N 2 2 245.370 2.808 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2CC2(C)C)c[nH+]1 ZINC000309710844 384554485 /nfs/dbraw/zinc/55/44/85/384554485.db2.gz QOIANJCFVUKDRH-ZDUSSCGKSA-N 2 2 218.344 2.711 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC1(C)C ZINC000309725580 384559369 /nfs/dbraw/zinc/55/93/69/384559369.db2.gz XTTYRMYYBNIACY-ZDUSSCGKSA-N 2 2 218.344 2.711 20 0 BFADLP c1[nH]c(C[NH2+][C@@H](Cc2ccccc2)C2CC2)c[nH+]1 ZINC000172342929 384569167 /nfs/dbraw/zinc/56/91/67/384569167.db2.gz VLOPSOAKVZZDGN-HNNXBMFYSA-N 2 2 241.338 2.521 20 0 BFADLP C[C@@H]([NH2+]C1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020083159 384574618 /nfs/dbraw/zinc/57/46/18/384574618.db2.gz MGIUZRLNAFYOIY-LLVKDONJSA-N 2 2 227.311 2.685 20 0 BFADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643066359 384579435 /nfs/dbraw/zinc/57/94/35/384579435.db2.gz NFVFUPCKTDEYAO-OFQRWUPVSA-N 2 2 244.382 2.740 20 0 BFADLP Cc1cccc([C@H](C)[N@H+]2CC[C@@H]3CC[NH2+][C@@H]3C2)c1 ZINC000643066359 384579442 /nfs/dbraw/zinc/57/94/42/384579442.db2.gz NFVFUPCKTDEYAO-OFQRWUPVSA-N 2 2 244.382 2.740 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1C(C)(C)C1(C)C)[NH+](C)C ZINC000309756071 384586076 /nfs/dbraw/zinc/58/60/76/384586076.db2.gz LOBMHWJKDAHVAW-GHMZBOCLSA-N 2 2 226.408 2.597 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@H]2C(C)C)CC1 ZINC000556891902 384613949 /nfs/dbraw/zinc/61/39/49/384613949.db2.gz HFCZCTJAQNZCKM-GJZGRUSLSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C(C)C)CC1 ZINC000556891902 384613954 /nfs/dbraw/zinc/61/39/54/384613954.db2.gz HFCZCTJAQNZCKM-GJZGRUSLSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C(C)C)CC1 ZINC000556891904 384614597 /nfs/dbraw/zinc/61/45/97/384614597.db2.gz HFCZCTJAQNZCKM-LSDHHAIUSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C(C)C)CC1 ZINC000556891904 384614606 /nfs/dbraw/zinc/61/46/06/384614606.db2.gz HFCZCTJAQNZCKM-LSDHHAIUSA-N 2 2 236.403 2.663 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccsc1 ZINC000050343356 384617231 /nfs/dbraw/zinc/61/72/31/384617231.db2.gz FRGDSFHMOPLYRL-MNOVXSKESA-N 2 2 235.356 2.684 20 0 BFADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccco2)CC1 ZINC000020189140 384592734 /nfs/dbraw/zinc/59/27/34/384592734.db2.gz PAJJVYBSQKYTLA-LBPRGKRZSA-N 2 2 236.359 2.803 20 0 BFADLP CC(C)C[C@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767288 384593805 /nfs/dbraw/zinc/59/38/05/384593805.db2.gz VLKZGIPXUQJUEV-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556887049 384599305 /nfs/dbraw/zinc/59/93/05/384599305.db2.gz PMEHPQKPEGMACM-UONOGXRCSA-N 2 2 247.386 2.744 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2occc21 ZINC000123969097 384600034 /nfs/dbraw/zinc/60/00/34/384600034.db2.gz XGIOPJGYQBZFPH-WCQYABFASA-N 2 2 245.326 2.532 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2occc21 ZINC000123969285 384600771 /nfs/dbraw/zinc/60/07/71/384600771.db2.gz XGIOPJGYQBZFPH-DGCLKSJQSA-N 2 2 245.326 2.532 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2occc21 ZINC000123969724 384600896 /nfs/dbraw/zinc/60/08/96/384600896.db2.gz XGIOPJGYQBZFPH-YPMHNXCESA-N 2 2 245.326 2.532 20 0 BFADLP c1ccc(NCCC[NH2+]C[C@H]2CC=CCC2)[nH+]c1 ZINC000124436190 384642935 /nfs/dbraw/zinc/64/29/35/384642935.db2.gz SVEACJJPCUZDGI-AWEZNQCLSA-N 2 2 245.370 2.830 20 0 BFADLP CCC1CC([NH2+][C@H](CC(C)C)C[NH+](C)C)C1 ZINC000310000839 384778446 /nfs/dbraw/zinc/77/84/46/384778446.db2.gz DUMBVSOQJJEZAP-JXQTWKCFSA-N 2 2 226.408 2.741 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1nccs1 ZINC000083142307 384746296 /nfs/dbraw/zinc/74/62/96/384746296.db2.gz UDZWKVCEGZXYBM-LLVKDONJSA-N 2 2 241.404 2.526 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000309973905 384755694 /nfs/dbraw/zinc/75/56/94/384755694.db2.gz RHBONDYZHWCHHM-LLVKDONJSA-N 2 2 226.408 2.598 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000309973905 384755702 /nfs/dbraw/zinc/75/57/02/384755702.db2.gz RHBONDYZHWCHHM-LLVKDONJSA-N 2 2 226.408 2.598 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647553694 384767657 /nfs/dbraw/zinc/76/76/57/384767657.db2.gz HFRTYOZASUZDPA-OAHLLOKOSA-N 2 2 244.382 2.759 20 0 BFADLP C[N@H+](Cc1ccc(Cl)s1)[C@H](C[NH3+])C1CC1 ZINC000042488658 384808286 /nfs/dbraw/zinc/80/82/86/384808286.db2.gz PFDSEHMWMGAHOB-SNVBAGLBSA-N 2 2 244.791 2.571 20 0 BFADLP C[N@@H+](Cc1ccc(Cl)s1)[C@H](C[NH3+])C1CC1 ZINC000042488658 384808289 /nfs/dbraw/zinc/80/82/89/384808289.db2.gz PFDSEHMWMGAHOB-SNVBAGLBSA-N 2 2 244.791 2.571 20 0 BFADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CC1 ZINC000163856421 384870238 /nfs/dbraw/zinc/87/02/38/384870238.db2.gz XGBQRAKUZFXDJP-CYBMUJFWSA-N 2 2 233.359 2.662 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000151974096 384895279 /nfs/dbraw/zinc/89/52/79/384895279.db2.gz TZJMTALXLLIINY-YDHLFZDLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000151974096 384895285 /nfs/dbraw/zinc/89/52/85/384895285.db2.gz TZJMTALXLLIINY-YDHLFZDLSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1sccc1C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000339343186 384986439 /nfs/dbraw/zinc/98/64/39/384986439.db2.gz JFXYSRCOOFYERM-GXFFZTMASA-N 2 2 238.400 2.629 20 0 BFADLP Cc1sccc1C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000339343186 384986441 /nfs/dbraw/zinc/98/64/41/384986441.db2.gz JFXYSRCOOFYERM-GXFFZTMASA-N 2 2 238.400 2.629 20 0 BFADLP Cc1cccc(NC[C@H](CC(C)C)[NH+](C)C)[nH+]1 ZINC000156987247 385037634 /nfs/dbraw/zinc/03/76/34/385037634.db2.gz ZTAODWXTPKXDOO-ZDUSSCGKSA-N 2 2 235.375 2.778 20 0 BFADLP c1cn(-c2csc(C[NH2+][C@@H]3CC34CC4)c2)c[nH+]1 ZINC000424182881 385112955 /nfs/dbraw/zinc/11/29/55/385112955.db2.gz HYTWJCLBWAXPFA-GFCCVEGCSA-N 2 2 245.351 2.576 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1nccs1 ZINC000129182273 385117148 /nfs/dbraw/zinc/11/71/48/385117148.db2.gz TUGRCZIIGUDLOZ-NSHDSACASA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1nccs1 ZINC000129182273 385117152 /nfs/dbraw/zinc/11/71/52/385117152.db2.gz TUGRCZIIGUDLOZ-NSHDSACASA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C)C1CCC1)[NH+](C)C ZINC000177844100 385126007 /nfs/dbraw/zinc/12/60/07/385126007.db2.gz AZNCHPDOGATBRA-GXTWGEPZSA-N 2 2 226.408 2.741 20 0 BFADLP c1cn(-c2ccc(C[NH2+][C@H]3CC34CC4)cc2)c[nH+]1 ZINC000424188137 385106430 /nfs/dbraw/zinc/10/64/30/385106430.db2.gz WUIGCRXNVNMXRQ-AWEZNQCLSA-N 2 2 239.322 2.514 20 0 BFADLP c1cn(CC[NH2+][C@@H]2CCCCC23CCCC3)c[nH+]1 ZINC000310768037 385164304 /nfs/dbraw/zinc/16/43/04/385164304.db2.gz OJGNMVIZTKXTNU-CQSZACIVSA-N 2 2 247.386 2.976 20 0 BFADLP c1cn(CC[NH2+][C@H]2CCCCC23CCCC3)c[nH+]1 ZINC000310768036 385164666 /nfs/dbraw/zinc/16/46/66/385164666.db2.gz OJGNMVIZTKXTNU-AWEZNQCLSA-N 2 2 247.386 2.976 20 0 BFADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)C1CC1 ZINC000177248588 385208036 /nfs/dbraw/zinc/20/80/36/385208036.db2.gz CHUOFIDCLNGDFL-GFCCVEGCSA-N 2 2 241.338 2.760 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccco1 ZINC000166567276 385257167 /nfs/dbraw/zinc/25/71/67/385257167.db2.gz QKHUMKBHHMKLFM-GFCCVEGCSA-N 2 2 224.348 2.661 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccco1 ZINC000166567276 385257173 /nfs/dbraw/zinc/25/71/73/385257173.db2.gz QKHUMKBHHMKLFM-GFCCVEGCSA-N 2 2 224.348 2.661 20 0 BFADLP CCC(CC)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000130430825 385247725 /nfs/dbraw/zinc/24/77/25/385247725.db2.gz RPUXLOXBHMYTFJ-AWEZNQCLSA-N 2 2 220.360 2.712 20 0 BFADLP CC(C)=CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000191628983 385310114 /nfs/dbraw/zinc/31/01/14/385310114.db2.gz PMKUPXGVWCKKBW-UHFFFAOYSA-N 2 2 241.338 2.928 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000154611911 385342074 /nfs/dbraw/zinc/34/20/74/385342074.db2.gz CJBSIFZHYZASRH-ZNMIVQPWSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000154611911 385342079 /nfs/dbraw/zinc/34/20/79/385342079.db2.gz CJBSIFZHYZASRH-ZNMIVQPWSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC(C)C)[nH+]1 ZINC000158222374 385366580 /nfs/dbraw/zinc/36/65/80/385366580.db2.gz XYUHIBSNIIMCPJ-AWEZNQCLSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC(C)C)[nH+]1 ZINC000158222374 385366583 /nfs/dbraw/zinc/36/65/83/385366583.db2.gz XYUHIBSNIIMCPJ-AWEZNQCLSA-N 2 2 247.386 2.922 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000168595595 385377591 /nfs/dbraw/zinc/37/75/91/385377591.db2.gz FGRBSDWKJXZPON-KGLIPLIRSA-N 2 2 234.387 2.547 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccoc1C ZINC000191777816 385325080 /nfs/dbraw/zinc/32/50/80/385325080.db2.gz CCUBVFMDZWXSCU-UHFFFAOYSA-N 2 2 238.375 2.752 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccoc1C ZINC000191777816 385325085 /nfs/dbraw/zinc/32/50/85/385325085.db2.gz CCUBVFMDZWXSCU-UHFFFAOYSA-N 2 2 238.375 2.752 20 0 BFADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccccn1 ZINC000191807360 385326183 /nfs/dbraw/zinc/32/61/83/385326183.db2.gz WMBWPBPUIZKPRR-UHFFFAOYSA-N 2 2 249.402 2.635 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccccn1 ZINC000191807360 385326187 /nfs/dbraw/zinc/32/61/87/385326187.db2.gz WMBWPBPUIZKPRR-UHFFFAOYSA-N 2 2 249.402 2.635 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC[NH+](C)C ZINC000309087496 385411833 /nfs/dbraw/zinc/41/18/33/385411833.db2.gz ZQRBXNIFQMCGBX-CHWSQXEVSA-N 2 2 214.397 2.598 20 0 BFADLP C[N@@H+](Cc1cccc2[nH+]ccn21)CC1CCCC1 ZINC000179912423 385500116 /nfs/dbraw/zinc/50/01/16/385500116.db2.gz QTFUNLZKHKHZDC-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP C[N@H+](Cc1cccc2[nH+]ccn21)CC1CCCC1 ZINC000179912423 385500118 /nfs/dbraw/zinc/50/01/18/385500118.db2.gz QTFUNLZKHKHZDC-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP CC(C)CCC[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302300117 385511547 /nfs/dbraw/zinc/51/15/47/385511547.db2.gz BIBUXIKUXGHORL-HZPDHXFCSA-N 2 2 246.398 2.849 20 0 BFADLP CC(C)CCC[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302300117 385511550 /nfs/dbraw/zinc/51/15/50/385511550.db2.gz BIBUXIKUXGHORL-HZPDHXFCSA-N 2 2 246.398 2.849 20 0 BFADLP CC1(C)CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179779738 385489416 /nfs/dbraw/zinc/48/94/16/385489416.db2.gz OIOUEITWAHLICA-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP CC1(C)CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179779738 385489419 /nfs/dbraw/zinc/48/94/19/385489419.db2.gz OIOUEITWAHLICA-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC1(C)C ZINC000309314828 385527529 /nfs/dbraw/zinc/52/75/29/385527529.db2.gz OZSNBKRFSSFMCT-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH3+])[NH2+]C(c1ccccc1)c1ccccc1 ZINC000235124209 259671944 /nfs/dbraw/zinc/67/19/44/259671944.db2.gz KGTLTHHEECJGCU-ZDUSSCGKSA-N 2 2 240.350 2.713 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000309440038 385582488 /nfs/dbraw/zinc/58/24/88/385582488.db2.gz IHMLDVDOKYKZBD-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000309440038 385582491 /nfs/dbraw/zinc/58/24/91/385582491.db2.gz IHMLDVDOKYKZBD-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]([NH2+]CCC[NH+](C)C)c1cccc(F)c1F ZINC000181966691 385624694 /nfs/dbraw/zinc/62/46/94/385624694.db2.gz YKTPPXWXPPVLFH-SNVBAGLBSA-N 2 2 242.313 2.567 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[N@H+](C)C1CC1 ZINC000337375127 385630437 /nfs/dbraw/zinc/63/04/37/385630437.db2.gz GHVWJKZELXKJIV-GBOPCIDUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)[N@@H+](C)C1CC1 ZINC000337375127 385630440 /nfs/dbraw/zinc/63/04/40/385630440.db2.gz GHVWJKZELXKJIV-GBOPCIDUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC12CCC2 ZINC000337409905 385641797 /nfs/dbraw/zinc/64/17/97/385641797.db2.gz VMPMPIDIHMDBOS-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C1CC1 ZINC000337399077 385645625 /nfs/dbraw/zinc/64/56/25/385645625.db2.gz QLNBORNWEPPGHU-NWANDNLSSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C)C1CC1 ZINC000337399077 385645629 /nfs/dbraw/zinc/64/56/29/385645629.db2.gz QLNBORNWEPPGHU-NWANDNLSSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)CCC2 ZINC000495090106 385672480 /nfs/dbraw/zinc/67/24/80/385672480.db2.gz ZVRCWUBPSHLAIW-RUZUBIRVSA-N 2 2 247.386 2.703 20 0 BFADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000182619139 385689950 /nfs/dbraw/zinc/68/99/50/385689950.db2.gz AHADRMMBWXNLSD-UHFFFAOYSA-N 2 2 249.383 2.857 20 0 BFADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1cccs1 ZINC000182619139 385689958 /nfs/dbraw/zinc/68/99/58/385689958.db2.gz AHADRMMBWXNLSD-UHFFFAOYSA-N 2 2 249.383 2.857 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)c1cccc(C)c1 ZINC000336683815 385669172 /nfs/dbraw/zinc/66/91/72/385669172.db2.gz CLIKUDXAYQBURJ-ZFWWWQNUSA-N 2 2 234.387 2.986 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000414551650 385739702 /nfs/dbraw/zinc/73/97/02/385739702.db2.gz OZRJGYYKJXLTJU-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000414551650 385739707 /nfs/dbraw/zinc/73/97/07/385739707.db2.gz OZRJGYYKJXLTJU-CQSZACIVSA-N 2 2 244.338 2.617 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CCC1 ZINC000336737260 385759667 /nfs/dbraw/zinc/75/96/67/385759667.db2.gz NFANXZQUCUDGIV-UHFFFAOYSA-N 2 2 218.344 2.712 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000336689984 385719082 /nfs/dbraw/zinc/71/90/82/385719082.db2.gz WEZGQYMVLXNRQC-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000336689984 385719086 /nfs/dbraw/zinc/71/90/86/385719086.db2.gz WEZGQYMVLXNRQC-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000414952170 385823462 /nfs/dbraw/zinc/82/34/62/385823462.db2.gz IFZKEVWICPGRBW-CQSZACIVSA-N 2 2 234.387 2.699 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000414952360 385823942 /nfs/dbraw/zinc/82/39/42/385823942.db2.gz KKWLCNITBANDJG-DZGCQCFKSA-N 2 2 232.371 2.534 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1coc2ccccc12 ZINC000414954770 385828974 /nfs/dbraw/zinc/82/89/74/385828974.db2.gz KUSUKFZWEVQCQI-LLVKDONJSA-N 2 2 232.327 2.520 20 0 BFADLP Cc1ccsc1C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000336725033 385828987 /nfs/dbraw/zinc/82/89/87/385828987.db2.gz BHHRDNUZBDCOIU-NEPJUHHUSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1ccsc1C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336725033 385828992 /nfs/dbraw/zinc/82/89/92/385828992.db2.gz BHHRDNUZBDCOIU-NEPJUHHUSA-N 2 2 238.400 2.629 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(C)c(C)cc1C ZINC000414953175 385831752 /nfs/dbraw/zinc/83/17/52/385831752.db2.gz JCQMIQLXDNXCHY-CQSZACIVSA-N 2 2 234.387 2.699 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cncs1 ZINC000271576962 385838230 /nfs/dbraw/zinc/83/82/30/385838230.db2.gz ZTAZJCBTEWPYKA-NSHDSACASA-N 2 2 247.367 2.740 20 0 BFADLP CCC1CC([NH2+]CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000336741059 385846223 /nfs/dbraw/zinc/84/62/23/385846223.db2.gz QPYJQCGFTIAOII-HSBZDZAISA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CC([NH2+]CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000336741059 385846226 /nfs/dbraw/zinc/84/62/26/385846226.db2.gz QPYJQCGFTIAOII-HSBZDZAISA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[NH+](C)C)C(C)(C)c1ccccc1 ZINC000271807470 385851075 /nfs/dbraw/zinc/85/10/75/385851075.db2.gz NUTRSVGZUBUWES-CYBMUJFWSA-N 2 2 234.387 2.504 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000338005058 385877296 /nfs/dbraw/zinc/87/72/96/385877296.db2.gz VXLOKSFQWMXWDY-CABCVRRESA-N 2 2 236.403 2.641 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC000414969460 385940936 /nfs/dbraw/zinc/94/09/36/385940936.db2.gz YYZXEXWXIFGEAI-LLVKDONJSA-N 2 2 248.395 2.989 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000414078210 385950203 /nfs/dbraw/zinc/95/02/03/385950203.db2.gz ZRQOTVNHVFRDEG-KHMAMNHCSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000414078210 385950206 /nfs/dbraw/zinc/95/02/06/385950206.db2.gz ZRQOTVNHVFRDEG-KHMAMNHCSA-N 2 2 238.419 2.741 20 0 BFADLP [NH3+][C@@H]1CCCCC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335055003 385953569 /nfs/dbraw/zinc/95/35/69/385953569.db2.gz PRCILKPLNPQMFT-HIFRSBDPSA-N 2 2 245.370 2.727 20 0 BFADLP [NH3+]C[C@H]1CCCC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335055902 385955507 /nfs/dbraw/zinc/95/55/07/385955507.db2.gz RTXKQQGLHNCGEK-DOMZBBRYSA-N 2 2 245.370 2.584 20 0 BFADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000335055902 385955513 /nfs/dbraw/zinc/95/55/13/385955513.db2.gz RTXKQQGLHNCGEK-DOMZBBRYSA-N 2 2 245.370 2.584 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000345067647 386002117 /nfs/dbraw/zinc/00/21/17/386002117.db2.gz MWDOHSOFXLOABL-UKTARXLSSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000345067647 386002123 /nfs/dbraw/zinc/00/21/23/386002123.db2.gz MWDOHSOFXLOABL-UKTARXLSSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCC(C)(C)C ZINC000336770140 386005494 /nfs/dbraw/zinc/00/54/94/386005494.db2.gz WGXLVNXGCZYYQK-NWDGAFQWSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1C[C@H]1C ZINC000414112947 386005783 /nfs/dbraw/zinc/00/57/83/386005783.db2.gz AKISUOZBFNAGKI-UXOAXIEHSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1C[C@H]1C ZINC000414112947 386005786 /nfs/dbraw/zinc/00/57/86/386005786.db2.gz AKISUOZBFNAGKI-UXOAXIEHSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414158223 386042241 /nfs/dbraw/zinc/04/22/41/386042241.db2.gz XOPLGQPGWZJYSS-ZOBORPQBSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414158223 386042250 /nfs/dbraw/zinc/04/22/50/386042250.db2.gz XOPLGQPGWZJYSS-ZOBORPQBSA-N 2 2 238.419 2.741 20 0 BFADLP [NH3+]CC[C@@H]([NH2+]CC1CCCCCC1)C(F)F ZINC000414986511 386111445 /nfs/dbraw/zinc/11/14/45/386111445.db2.gz HOEJJUOJJKYYRG-LLVKDONJSA-N 2 2 234.334 2.529 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)C1 ZINC000414984632 386094939 /nfs/dbraw/zinc/09/49/39/386094939.db2.gz DSGFNDZLYQJCDE-GRYCIOLGSA-N 2 2 248.361 2.775 20 0 BFADLP CC[C@H]([NH3+])C[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000414984574 386096320 /nfs/dbraw/zinc/09/63/20/386096320.db2.gz VBMYKZBNVURCMA-ZDUSSCGKSA-N 2 2 246.354 2.877 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000414674364 386148410 /nfs/dbraw/zinc/14/84/10/386148410.db2.gz RTBSYEKMAOGXFP-GXTWGEPZSA-N 2 2 235.375 2.525 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000414674364 386148414 /nfs/dbraw/zinc/14/84/14/386148414.db2.gz RTBSYEKMAOGXFP-GXTWGEPZSA-N 2 2 235.375 2.525 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000414674367 386149559 /nfs/dbraw/zinc/14/95/59/386149559.db2.gz RTBSYEKMAOGXFP-OCCSQVGLSA-N 2 2 235.375 2.525 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000414674367 386149566 /nfs/dbraw/zinc/14/95/66/386149566.db2.gz RTBSYEKMAOGXFP-OCCSQVGLSA-N 2 2 235.375 2.525 20 0 BFADLP [NH3+]CC[C@@H]([NH2+]CCC1CCCCC1)C(F)F ZINC000414992754 386158514 /nfs/dbraw/zinc/15/85/14/386158514.db2.gz RMHRQXYEAWWZCV-LLVKDONJSA-N 2 2 234.334 2.529 20 0 BFADLP CC[N@H+](CC[NH2+]C(C)(C)C)[C@@H](C)C(C)C ZINC000414685862 386174967 /nfs/dbraw/zinc/17/49/67/386174967.db2.gz DQIVZBPJKUKLBJ-LBPRGKRZSA-N 2 2 214.397 2.741 20 0 BFADLP CC[N@@H+](CC[NH2+]C(C)(C)C)[C@@H](C)C(C)C ZINC000414685862 386174971 /nfs/dbraw/zinc/17/49/71/386174971.db2.gz DQIVZBPJKUKLBJ-LBPRGKRZSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)C(C)C)CCC2 ZINC000366210673 386187515 /nfs/dbraw/zinc/18/75/15/386187515.db2.gz PEYIARGTBXRXJQ-OLZOCXBDSA-N 2 2 235.375 2.703 20 0 BFADLP CC1(C)CCC(C[NH2+][C@@H](CC[NH3+])C(F)F)CC1 ZINC000414989812 386138511 /nfs/dbraw/zinc/13/85/11/386138511.db2.gz NJTFVAVHDGKEOU-NSHDSACASA-N 2 2 248.361 2.775 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000414703825 386208301 /nfs/dbraw/zinc/20/83/01/386208301.db2.gz MIHDWEVZSMKFEG-AAEUAGOBSA-N 2 2 224.392 2.623 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000414703825 386208303 /nfs/dbraw/zinc/20/83/03/386208303.db2.gz MIHDWEVZSMKFEG-AAEUAGOBSA-N 2 2 224.392 2.623 20 0 BFADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000131859464 386223903 /nfs/dbraw/zinc/22/39/03/386223903.db2.gz ZYYSJTDUWAVSJM-KGLIPLIRSA-N 2 2 228.295 2.514 20 0 BFADLP Cc1cc2cc(C[N@@H+](C)[C@@H](C)C[NH3+])oc2cc1C ZINC000347111634 386231467 /nfs/dbraw/zinc/23/14/67/386231467.db2.gz OJIUSJBTWJPBJD-LBPRGKRZSA-N 2 2 246.354 2.829 20 0 BFADLP Cc1cc2cc(C[N@H+](C)[C@@H](C)C[NH3+])oc2cc1C ZINC000347111634 386231470 /nfs/dbraw/zinc/23/14/70/386231470.db2.gz OJIUSJBTWJPBJD-LBPRGKRZSA-N 2 2 246.354 2.829 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@@H+](CC1CCCCCC1)C2 ZINC000647932469 386246516 /nfs/dbraw/zinc/24/65/16/386246516.db2.gz CCTOPIZEQVZNBU-UHFFFAOYSA-N 2 2 233.359 2.738 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@H+](CC1CCCCCC1)C2 ZINC000647932469 386246523 /nfs/dbraw/zinc/24/65/23/386246523.db2.gz CCTOPIZEQVZNBU-UHFFFAOYSA-N 2 2 233.359 2.738 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000276384581 386314455 /nfs/dbraw/zinc/31/44/55/386314455.db2.gz BEMODZPSMZHMLC-CVEARBPZSA-N 2 2 246.398 2.549 20 0 BFADLP CC(C)(CNc1cccc[nH+]1)C[NH+]1CCCC1 ZINC000276879426 386385768 /nfs/dbraw/zinc/38/57/68/386385768.db2.gz SBVLLGKDZXMLEH-UHFFFAOYSA-N 2 2 233.359 2.616 20 0 BFADLP CC[C@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000336718327 386440398 /nfs/dbraw/zinc/44/03/98/386440398.db2.gz ALWLEKQURYFLEO-AWEZNQCLSA-N 2 2 235.375 2.846 20 0 BFADLP CC[C@H]1CCCCC[N@H+]1CCn1cc[nH+]c1C ZINC000336718327 386440404 /nfs/dbraw/zinc/44/04/04/386440404.db2.gz ALWLEKQURYFLEO-AWEZNQCLSA-N 2 2 235.375 2.846 20 0 BFADLP C[C@H](F)CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000339491560 386445723 /nfs/dbraw/zinc/44/57/23/386445723.db2.gz YRPNNXIGSQBCAJ-LBPRGKRZSA-N 2 2 247.317 2.710 20 0 BFADLP C[N@H+](C/C=C/c1ccc(F)cc1)C1(C[NH3+])CCC1 ZINC000414775193 386469448 /nfs/dbraw/zinc/46/94/48/386469448.db2.gz BOQGTTZYSGSSSE-DUXPYHPUSA-N 2 2 248.345 2.652 20 0 BFADLP C[N@@H+](C/C=C/c1ccc(F)cc1)C1(C[NH3+])CCC1 ZINC000414775193 386469452 /nfs/dbraw/zinc/46/94/52/386469452.db2.gz BOQGTTZYSGSSSE-DUXPYHPUSA-N 2 2 248.345 2.652 20 0 BFADLP C[N@H+](C/C=C\c1ccc(F)cc1)C1(C[NH3+])CCC1 ZINC000414775194 386469546 /nfs/dbraw/zinc/46/95/46/386469546.db2.gz BOQGTTZYSGSSSE-RQOWECAXSA-N 2 2 248.345 2.652 20 0 BFADLP C[N@@H+](C/C=C\c1ccc(F)cc1)C1(C[NH3+])CCC1 ZINC000414775194 386469550 /nfs/dbraw/zinc/46/95/50/386469550.db2.gz BOQGTTZYSGSSSE-RQOWECAXSA-N 2 2 248.345 2.652 20 0 BFADLP CCCCC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365640990 386478041 /nfs/dbraw/zinc/47/80/41/386478041.db2.gz TYZRQSCFGUMULI-ZDUSSCGKSA-N 2 2 235.375 2.790 20 0 BFADLP CCCCC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365640990 386478047 /nfs/dbraw/zinc/47/80/47/386478047.db2.gz TYZRQSCFGUMULI-ZDUSSCGKSA-N 2 2 235.375 2.790 20 0 BFADLP C[C@H](CCC1CCCC1)[NH2+][C@H](C)C[NH+](C)C ZINC000336739891 386479314 /nfs/dbraw/zinc/47/93/14/386479314.db2.gz LTFUSBXZOXGEIJ-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000336745192 386484314 /nfs/dbraw/zinc/48/43/14/386484314.db2.gz BBIVNUVGGCYBAI-QWHCGFSZSA-N 2 2 212.381 2.661 20 0 BFADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417351538 386491248 /nfs/dbraw/zinc/49/12/48/386491248.db2.gz CYJFVKHMUYEJPE-SWLSCSKDSA-N 2 2 244.382 2.604 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000417357248 386494294 /nfs/dbraw/zinc/49/42/94/386494294.db2.gz QYEVOUMSOOJRCE-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417358949 386505655 /nfs/dbraw/zinc/50/56/55/386505655.db2.gz VCXPEVBRKCKWAQ-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H]1CC1(C)C ZINC000417339087 386507249 /nfs/dbraw/zinc/50/72/49/386507249.db2.gz ZQZBQPYQECQSTN-RWMBFGLXSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@H]1CC1(C)C ZINC000417339088 386507470 /nfs/dbraw/zinc/50/74/70/386507470.db2.gz ZQZBQPYQECQSTN-YNEHKIRRSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c(C)c1 ZINC000415032185 386519003 /nfs/dbraw/zinc/51/90/03/386519003.db2.gz FVPDUDUGVUQFHC-AWEZNQCLSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1occc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000414450794 386524323 /nfs/dbraw/zinc/52/43/23/386524323.db2.gz YLRXSMKRLOSOHU-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP CCSCC[NH2+]CC[N@@H+]1CCCC[C@H]1CC ZINC000336781095 386576541 /nfs/dbraw/zinc/57/65/41/386576541.db2.gz TYAHBJIVAVAIRS-CYBMUJFWSA-N 2 2 244.448 2.594 20 0 BFADLP CCSCC[NH2+]CC[N@H+]1CCCC[C@H]1CC ZINC000336781095 386576545 /nfs/dbraw/zinc/57/65/45/386576545.db2.gz TYAHBJIVAVAIRS-CYBMUJFWSA-N 2 2 244.448 2.594 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000123175183 386544090 /nfs/dbraw/zinc/54/40/90/386544090.db2.gz BJKLCXBFXUIQJK-OAHLLOKOSA-N 2 2 246.398 2.778 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000123175183 386544093 /nfs/dbraw/zinc/54/40/93/386544093.db2.gz BJKLCXBFXUIQJK-OAHLLOKOSA-N 2 2 246.398 2.778 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CCCC[NH2+]C2)cc1C ZINC000415064065 386545387 /nfs/dbraw/zinc/54/53/87/386545387.db2.gz BPGFYQUBEHWFOV-INIZCTEOSA-N 2 2 246.398 2.844 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1c(F)cccc1Cl ZINC000414793296 386564976 /nfs/dbraw/zinc/56/49/76/386564976.db2.gz KEDPTHXOEFRBIL-LBPRGKRZSA-N 2 2 244.741 2.552 20 0 BFADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000335497924 386623018 /nfs/dbraw/zinc/62/30/18/386623018.db2.gz APOZDUMAQPJNHL-JQWIXIFHSA-N 2 2 224.373 2.541 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1C ZINC000414925462 386641014 /nfs/dbraw/zinc/64/10/14/386641014.db2.gz JPVFSHDGHQDBCY-MEDUHNTESA-N 2 2 246.398 2.699 20 0 BFADLP Cc1ccc(CCC[NH2+]C2CCCC2)c[nH+]1 ZINC000336738944 386665037 /nfs/dbraw/zinc/66/50/37/386665037.db2.gz OQEXFYXAZJEARG-UHFFFAOYSA-N 2 2 218.344 2.855 20 0 BFADLP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414824506 386683057 /nfs/dbraw/zinc/68/30/57/386683057.db2.gz ARDBTUVVCJXVNF-BPLDGKMQSA-N 2 2 232.371 2.855 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)o1 ZINC000268829718 386702162 /nfs/dbraw/zinc/70/21/62/386702162.db2.gz QRPVLDHUAPKVQG-RYUDHWBXSA-N 2 2 247.342 2.778 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)o1 ZINC000268829711 386702902 /nfs/dbraw/zinc/70/29/02/386702902.db2.gz QRPVLDHUAPKVQG-NEPJUHHUSA-N 2 2 247.342 2.778 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000043326072 386703547 /nfs/dbraw/zinc/70/35/47/386703547.db2.gz HKCVULOQTYLKIG-IUODEOHRSA-N 2 2 232.371 2.652 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414829912 386705961 /nfs/dbraw/zinc/70/59/61/386705961.db2.gz LIVMDFISBMIHRE-UKRRQHHQSA-N 2 2 234.387 2.958 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000122323594 386740711 /nfs/dbraw/zinc/74/07/11/386740711.db2.gz UCOXNXXTNQBDKA-HIFRSBDPSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000122323594 386740716 /nfs/dbraw/zinc/74/07/16/386740716.db2.gz UCOXNXXTNQBDKA-HIFRSBDPSA-N 2 2 244.382 2.710 20 0 BFADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccco1 ZINC000269041205 386742269 /nfs/dbraw/zinc/74/22/69/386742269.db2.gz UCQYGMISDYIDDG-GFCCVEGCSA-N 2 2 248.370 2.947 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000122285224 386743306 /nfs/dbraw/zinc/74/33/06/386743306.db2.gz HMBHWEVDMMXXMV-RISCZKNCSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000122285224 386743311 /nfs/dbraw/zinc/74/33/11/386743311.db2.gz HMBHWEVDMMXXMV-RISCZKNCSA-N 2 2 248.345 2.541 20 0 BFADLP CCCC[N@H+](C)CCNc1[nH]c2ccccc2[nH+]1 ZINC000301062397 386814715 /nfs/dbraw/zinc/81/47/15/386814715.db2.gz HNHLVMMJLXGGMM-UHFFFAOYSA-N 2 2 246.358 2.707 20 0 BFADLP CCCC[N@@H+](C)CCNc1[nH]c2ccccc2[nH+]1 ZINC000301062397 386814722 /nfs/dbraw/zinc/81/47/22/386814722.db2.gz HNHLVMMJLXGGMM-UHFFFAOYSA-N 2 2 246.358 2.707 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000414936456 386833553 /nfs/dbraw/zinc/83/35/53/386833553.db2.gz CTVJKKXUGVCBTK-UKRRQHHQSA-N 2 2 232.371 2.534 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165158469 386837733 /nfs/dbraw/zinc/83/77/33/386837733.db2.gz POMHUIQKJRUBOX-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414937939 386849712 /nfs/dbraw/zinc/84/97/12/386849712.db2.gz DTFCEHDIMHEOMY-MLGOLLRUSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@H]1CCCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165161339 386873542 /nfs/dbraw/zinc/87/35/42/386873542.db2.gz NMONSFSXZBUINS-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000165165939 386875788 /nfs/dbraw/zinc/87/57/88/386875788.db2.gz OIUSRASBVVPFCR-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c(C)c1 ZINC000358020116 386881347 /nfs/dbraw/zinc/88/13/47/386881347.db2.gz LQBIBJKAHQXOHU-GOEBONIOSA-N 2 2 246.398 2.652 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c(C)c1 ZINC000358020116 386881349 /nfs/dbraw/zinc/88/13/49/386881349.db2.gz LQBIBJKAHQXOHU-GOEBONIOSA-N 2 2 246.398 2.652 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000358020120 386881419 /nfs/dbraw/zinc/88/14/19/386881419.db2.gz LQBIBJKAHQXOHU-ZBFHGGJFSA-N 2 2 246.398 2.652 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000358020120 386881424 /nfs/dbraw/zinc/88/14/24/386881424.db2.gz LQBIBJKAHQXOHU-ZBFHGGJFSA-N 2 2 246.398 2.652 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000358226511 386915931 /nfs/dbraw/zinc/91/59/31/386915931.db2.gz TWEDNIOYXVTTFH-KCXAZCMYSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000358226511 386915934 /nfs/dbraw/zinc/91/59/34/386915934.db2.gz TWEDNIOYXVTTFH-KCXAZCMYSA-N 2 2 244.382 2.522 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000334873302 386935251 /nfs/dbraw/zinc/93/52/51/386935251.db2.gz GUNDHUJLWKLGSA-CQSZACIVSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccoc1 ZINC000514596334 387007304 /nfs/dbraw/zinc/00/73/04/387007304.db2.gz NXXJOJBBDSMJLK-LLVKDONJSA-N 2 2 222.332 2.592 20 0 BFADLP CC(C)c1ccc[nH+]c1NCc1c[nH+]cn1C ZINC000341950366 387003478 /nfs/dbraw/zinc/00/34/78/387003478.db2.gz NHTQVFNBQQDZDB-UHFFFAOYSA-N 2 2 230.315 2.551 20 0 BFADLP c1cc(O[C@@H]2CC[N@H+]([C@H]3C=CCCC3)C2)cc[nH+]1 ZINC000334978596 387064822 /nfs/dbraw/zinc/06/48/22/387064822.db2.gz NFFOEFNPYGFHES-DZGCQCFKSA-N 2 2 244.338 2.643 20 0 BFADLP CC(C)CCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000368921424 387020144 /nfs/dbraw/zinc/02/01/44/387020144.db2.gz OWTZDSIXYMOJSV-OAHLLOKOSA-N 2 2 238.419 2.983 20 0 BFADLP CC(C)CCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000368921424 387020147 /nfs/dbraw/zinc/02/01/47/387020147.db2.gz OWTZDSIXYMOJSV-OAHLLOKOSA-N 2 2 238.419 2.983 20 0 BFADLP c1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc(C2CC2)c1 ZINC000643427102 387021613 /nfs/dbraw/zinc/02/16/13/387021613.db2.gz UUZUBMJJVKUZNX-INIZCTEOSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000119057059 387091617 /nfs/dbraw/zinc/09/16/17/387091617.db2.gz QBPRFKXTIZSCNZ-UKRRQHHQSA-N 2 2 238.419 2.885 20 0 BFADLP CCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000370167361 387094996 /nfs/dbraw/zinc/09/49/96/387094996.db2.gz NLBWCTXCPKBHKY-LBPRGKRZSA-N 2 2 221.348 2.779 20 0 BFADLP CCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000370167361 387095001 /nfs/dbraw/zinc/09/50/01/387095001.db2.gz NLBWCTXCPKBHKY-LBPRGKRZSA-N 2 2 221.348 2.779 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc2ccccc2s1 ZINC000335028387 387121980 /nfs/dbraw/zinc/12/19/80/387121980.db2.gz JFPYNMCOEDHPQT-CMPLNLGQSA-N 2 2 246.379 2.914 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2occc21 ZINC000423298849 387129691 /nfs/dbraw/zinc/12/96/91/387129691.db2.gz OZGDJEPPUHYHNN-AAEUAGOBSA-N 2 2 236.359 2.764 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423299760 387129853 /nfs/dbraw/zinc/12/98/53/387129853.db2.gz CHBIPCQMYSGXSP-KCQAQPDRSA-N 2 2 244.382 2.885 20 0 BFADLP CC[C@H](C[NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000418119477 387067900 /nfs/dbraw/zinc/06/79/00/387067900.db2.gz XPMLIGSEAINONI-CQSZACIVSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000423308290 387144223 /nfs/dbraw/zinc/14/42/23/387144223.db2.gz IVICHYJORJBBLO-WFASDCNBSA-N 2 2 232.371 2.824 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1CCCc2sccc21 ZINC000423313509 387151276 /nfs/dbraw/zinc/15/12/76/387151276.db2.gz UNTGTKABLRRXCA-GFCCVEGCSA-N 2 2 238.400 2.715 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000423313490 387151464 /nfs/dbraw/zinc/15/14/64/387151464.db2.gz ULGNPELNPGNPIZ-HNNXBMFYSA-N 2 2 246.398 2.998 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)[C@@H]1C[C@H]1C ZINC000322139208 387153230 /nfs/dbraw/zinc/15/32/30/387153230.db2.gz GKOGAPAFSLDTIY-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1cccs1 ZINC000423316841 387156440 /nfs/dbraw/zinc/15/64/40/387156440.db2.gz YGTIGNREIUTREU-NSHDSACASA-N 2 2 226.389 2.788 20 0 BFADLP CC(C)[C@@H]([NH2+][C@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423319913 387162425 /nfs/dbraw/zinc/16/24/25/387162425.db2.gz GBBAUUJBGLEUGJ-NOZJJQNGSA-N 2 2 242.313 2.599 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2cc(Cl)cs2)C1 ZINC000571776160 387169783 /nfs/dbraw/zinc/16/97/83/387169783.db2.gz TXQOJMUXYPPIQE-UHFFFAOYSA-N 2 2 244.791 2.584 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CCC1 ZINC000322357140 259705700 /nfs/dbraw/zinc/70/57/00/259705700.db2.gz GEVQWSZUYQOLNW-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+]([C@H]3C=CCCC3)C2)[nH]1 ZINC000336350203 387179074 /nfs/dbraw/zinc/17/90/74/387179074.db2.gz AMVCFTJBPKDZFO-OLZOCXBDSA-N 2 2 231.343 2.698 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+]([C@H]3C=CCCC3)C2)[nH]1 ZINC000336350203 387179082 /nfs/dbraw/zinc/17/90/82/387179082.db2.gz AMVCFTJBPKDZFO-OLZOCXBDSA-N 2 2 231.343 2.698 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000119409293 387133033 /nfs/dbraw/zinc/13/30/33/387133033.db2.gz UIBIAMGXCJKDQO-CJNGLKHVSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000119409293 387133037 /nfs/dbraw/zinc/13/30/37/387133037.db2.gz UIBIAMGXCJKDQO-CJNGLKHVSA-N 2 2 244.382 2.792 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)oc1C ZINC000423354406 387205348 /nfs/dbraw/zinc/20/53/48/387205348.db2.gz CWIBAJUKNUZBLX-GAFUQQFSSA-N 2 2 236.359 2.545 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)oc1C ZINC000423354403 387206006 /nfs/dbraw/zinc/20/60/06/387206006.db2.gz CWIBAJUKNUZBLX-CDMKHQONSA-N 2 2 236.359 2.545 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H](C)C2 ZINC000423356207 387208843 /nfs/dbraw/zinc/20/88/43/387208843.db2.gz JOACOZKOOLSHAZ-BJJXKVORSA-N 2 2 244.382 2.570 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C1CC1 ZINC000300417988 387209200 /nfs/dbraw/zinc/20/92/00/387209200.db2.gz CIDOOYDWYRYVHM-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C1CC1 ZINC000300417988 387209206 /nfs/dbraw/zinc/20/92/06/387209206.db2.gz CIDOOYDWYRYVHM-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000572015111 387214923 /nfs/dbraw/zinc/21/49/23/387214923.db2.gz LBHLZNHCPMPGGC-UHFFFAOYSA-N 2 2 244.382 2.746 20 0 BFADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423363499 387216491 /nfs/dbraw/zinc/21/64/91/387216491.db2.gz JEWAFEZWSHBLDX-WDEREUQCSA-N 2 2 246.354 2.993 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000423373009 387226663 /nfs/dbraw/zinc/22/66/63/387226663.db2.gz GREWSKAYEUFPNU-XJKCOSOUSA-N 2 2 246.398 2.816 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH3+])c1cccc(Cl)c1F ZINC000423372667 387227153 /nfs/dbraw/zinc/22/71/53/387227153.db2.gz RKBFGRGFTSFJJM-KWQFWETISA-N 2 2 244.741 2.867 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000423403670 387239539 /nfs/dbraw/zinc/23/95/39/387239539.db2.gz ZHJNVFDLDAPDLL-AAEUAGOBSA-N 2 2 236.359 2.708 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353627079 387245038 /nfs/dbraw/zinc/24/50/38/387245038.db2.gz JTFXJIZPSGWGRS-TUAOUCFPSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353627079 387245041 /nfs/dbraw/zinc/24/50/41/387245041.db2.gz JTFXJIZPSGWGRS-TUAOUCFPSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353654064 387251186 /nfs/dbraw/zinc/25/11/86/387251186.db2.gz ZRDYHLFSMNIEFR-DGCLKSJQSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353654064 387251188 /nfs/dbraw/zinc/25/11/88/387251188.db2.gz ZRDYHLFSMNIEFR-DGCLKSJQSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353654063 387251492 /nfs/dbraw/zinc/25/14/92/387251492.db2.gz ZRDYHLFSMNIEFR-AAEUAGOBSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353654063 387251496 /nfs/dbraw/zinc/25/14/96/387251496.db2.gz ZRDYHLFSMNIEFR-AAEUAGOBSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423464011 387313107 /nfs/dbraw/zinc/31/31/07/387313107.db2.gz LRTGKICUOGETRW-WOPDTQHZSA-N 2 2 243.354 2.621 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423464010 387313616 /nfs/dbraw/zinc/31/36/16/387313616.db2.gz LRTGKICUOGETRW-UTUOFQBUSA-N 2 2 243.354 2.621 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(C)oc1C ZINC000423374721 387254166 /nfs/dbraw/zinc/25/41/66/387254166.db2.gz IESXVNDOMBQSIN-KOLCDFICSA-N 2 2 224.348 2.545 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000423428293 387254282 /nfs/dbraw/zinc/25/42/82/387254282.db2.gz OHFYBDJICNOQIE-WQVCFCJDSA-N 2 2 244.382 2.652 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1csc(C)c1 ZINC000423379143 387259892 /nfs/dbraw/zinc/25/98/92/387259892.db2.gz GIDACWMXERCHAB-MWLCHTKSSA-N 2 2 226.389 2.705 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000423385368 387268496 /nfs/dbraw/zinc/26/84/96/387268496.db2.gz QVVCUQWUACIWHV-KGLIPLIRSA-N 2 2 234.387 2.952 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000423389039 387274781 /nfs/dbraw/zinc/27/47/81/387274781.db2.gz UUSFVNWROADKGJ-BXUZGUMPSA-N 2 2 238.350 2.864 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccccn1 ZINC000423390886 387275551 /nfs/dbraw/zinc/27/55/51/387275551.db2.gz OUCRAXPYCVAEBN-TZMCWYRMSA-N 2 2 247.386 2.510 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1C[C@H]1C ZINC000572223539 387275759 /nfs/dbraw/zinc/27/57/59/387275759.db2.gz CGSGSAMJTLLKMI-XBFCOCLRSA-N 2 2 247.386 2.744 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccccn1 ZINC000423390657 387276493 /nfs/dbraw/zinc/27/64/93/387276493.db2.gz OUCRAXPYCVAEBN-JSGCOSHPSA-N 2 2 247.386 2.510 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000423394446 387281969 /nfs/dbraw/zinc/28/19/69/387281969.db2.gz ZRPNGZIVLXXGLS-KGLIPLIRSA-N 2 2 234.387 2.952 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@H](C)[C@H](C)[NH3+])C2CCC2)o1 ZINC000423453175 387302248 /nfs/dbraw/zinc/30/22/48/387302248.db2.gz XITVKCMMBYJYFN-MISXGVKJSA-N 2 2 236.359 2.755 20 0 BFADLP CCc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000261552043 387309257 /nfs/dbraw/zinc/30/92/57/387309257.db2.gz MBSCLLRUVGNSQQ-CVEARBPZSA-N 2 2 246.398 2.898 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000643502081 387356207 /nfs/dbraw/zinc/35/62/07/387356207.db2.gz XCRZCFMDYITQDO-HUUCEWRRSA-N 2 2 247.386 2.510 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cs1 ZINC000643502468 387365571 /nfs/dbraw/zinc/36/55/71/387365571.db2.gz HHJZZWWBIIATSK-DGCLKSJQSA-N 2 2 238.400 2.849 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000643502625 387365643 /nfs/dbraw/zinc/36/56/43/387365643.db2.gz LTUGWEGNFOTVHO-OLZOCXBDSA-N 2 2 238.400 2.931 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cs1 ZINC000643502470 387366661 /nfs/dbraw/zinc/36/66/61/387366661.db2.gz HHJZZWWBIIATSK-YPMHNXCESA-N 2 2 238.400 2.849 20 0 BFADLP CCC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000643453352 387369328 /nfs/dbraw/zinc/36/93/28/387369328.db2.gz BMPAQCDAZFXNLZ-VNHYZAJKSA-N 2 2 247.386 2.653 20 0 BFADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336516367 387340916 /nfs/dbraw/zinc/34/09/16/387340916.db2.gz XDZDLTOSBCUAKU-BXUZGUMPSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000336516367 387340922 /nfs/dbraw/zinc/34/09/22/387340922.db2.gz XDZDLTOSBCUAKU-BXUZGUMPSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336516367 387340925 /nfs/dbraw/zinc/34/09/25/387340925.db2.gz XDZDLTOSBCUAKU-BXUZGUMPSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000336516367 387340929 /nfs/dbraw/zinc/34/09/29/387340929.db2.gz XDZDLTOSBCUAKU-BXUZGUMPSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643500950 387347804 /nfs/dbraw/zinc/34/78/04/387347804.db2.gz KEGNEXCDFMEYSW-VXGBXAGGSA-N 2 2 238.400 2.849 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000643468948 387424264 /nfs/dbraw/zinc/42/42/64/387424264.db2.gz PUKYBPVTPJONCA-RCBQFDQVSA-N 2 2 244.382 2.712 20 0 BFADLP CCc1ccc[nH+]c1NCc1[nH]c(C)c(C)[nH+]1 ZINC000516089233 387457646 /nfs/dbraw/zinc/45/76/46/387457646.db2.gz PQRAQVWVPMUFPF-UHFFFAOYSA-N 2 2 230.315 2.596 20 0 BFADLP CC(C)CCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000373696017 387390960 /nfs/dbraw/zinc/39/09/60/387390960.db2.gz SQGYYRUNYAWEIZ-UHFFFAOYSA-N 2 2 235.375 2.956 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400795206 387391385 /nfs/dbraw/zinc/39/13/85/387391385.db2.gz SRVRPBMTSBDJDJ-KCQAQPDRSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC[NH2+]C1CC1)CCC2 ZINC000643506753 387460220 /nfs/dbraw/zinc/46/02/20/387460220.db2.gz HKSGUZJKSKMIEW-INIZCTEOSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)c(C)c1 ZINC000643506415 387460691 /nfs/dbraw/zinc/46/06/91/387460691.db2.gz WBYYMMDANOOOOU-ZDUSSCGKSA-N 2 2 232.371 2.706 20 0 BFADLP Cc1ccc2c(c1)C[NH+](CC[C@@H]1CCC[N@H+]1C)C2 ZINC000361593876 387507854 /nfs/dbraw/zinc/50/78/54/387507854.db2.gz KDVLIQCTXBOAEC-INIZCTEOSA-N 2 2 244.382 2.795 20 0 BFADLP Cc1ccc2c(c1)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C2 ZINC000361593876 387507857 /nfs/dbraw/zinc/50/78/57/387507857.db2.gz KDVLIQCTXBOAEC-INIZCTEOSA-N 2 2 244.382 2.795 20 0 BFADLP Cc1ccc2c(c1)C[N@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000361593876 387507862 /nfs/dbraw/zinc/50/78/62/387507862.db2.gz KDVLIQCTXBOAEC-INIZCTEOSA-N 2 2 244.382 2.795 20 0 BFADLP Cc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C2 ZINC000361593876 387507868 /nfs/dbraw/zinc/50/78/68/387507868.db2.gz KDVLIQCTXBOAEC-INIZCTEOSA-N 2 2 244.382 2.795 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)C1(C)CC1)CCC2 ZINC000361670688 387519765 /nfs/dbraw/zinc/51/97/65/387519765.db2.gz KSXFEHIPEFEGJC-QWHCGFSZSA-N 2 2 247.386 2.847 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375315745 387527378 /nfs/dbraw/zinc/52/73/78/387527378.db2.gz CGZRCYMQYZMIPJ-LBPRGKRZSA-N 2 2 247.386 2.888 20 0 BFADLP CCc1cc(NCc2c[nH+]c(C)cc2C)cc[nH+]1 ZINC000397049008 387534085 /nfs/dbraw/zinc/53/40/85/387534085.db2.gz QIXQQVPAHMCCKV-UHFFFAOYSA-N 2 2 241.338 2.690 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)s1 ZINC000643505884 387463160 /nfs/dbraw/zinc/46/31/60/387463160.db2.gz CJNGFFUOLRMZQE-SNVBAGLBSA-N 2 2 238.400 2.713 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CC[NH2+]C2CC2)c(C)s1 ZINC000643506317 387466868 /nfs/dbraw/zinc/46/68/68/387466868.db2.gz RWBMROABXUMYCA-JTQLQIEISA-N 2 2 238.400 2.768 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000304369138 387470816 /nfs/dbraw/zinc/47/08/16/387470816.db2.gz FRHRXIREBVWQQY-TZMCWYRMSA-N 2 2 220.360 2.711 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000374596290 387472617 /nfs/dbraw/zinc/47/26/17/387472617.db2.gz WSHOXPGFTWMQLK-UGQVUOCMSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000374596290 387472621 /nfs/dbraw/zinc/47/26/21/387472621.db2.gz WSHOXPGFTWMQLK-UGQVUOCMSA-N 2 2 248.414 2.782 20 0 BFADLP c1ccc([C@@H](CC2CC2)[NH2+]CC[NH2+]C2CC2)cc1 ZINC000643507162 387474827 /nfs/dbraw/zinc/47/48/27/387474827.db2.gz UUSJSSHVIAMBGK-MRXNPFEDSA-N 2 2 244.382 2.869 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+]CC[NH+]1CCCC1 ZINC000304412627 387475546 /nfs/dbraw/zinc/47/55/46/387475546.db2.gz PWAMZINZHKLHKE-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643507603 387477801 /nfs/dbraw/zinc/47/78/01/387477801.db2.gz KCVRNRSSOWMJAO-IAQYHMDHSA-N 2 2 230.355 2.577 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643507602 387478087 /nfs/dbraw/zinc/47/80/87/387478087.db2.gz KCVRNRSSOWMJAO-ABAIWWIYSA-N 2 2 230.355 2.577 20 0 BFADLP Cc1ccc([C@H]([NH2+]CC[NH2+]C2CC2)C2CCC2)o1 ZINC000643507683 387479428 /nfs/dbraw/zinc/47/94/28/387479428.db2.gz MMYMBJQFYKCUQU-OAHLLOKOSA-N 2 2 248.370 2.771 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CCC1 ZINC000355131548 387484392 /nfs/dbraw/zinc/48/43/92/387484392.db2.gz ZKEAWNHVVVVSMS-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CCC1 ZINC000355131548 387484397 /nfs/dbraw/zinc/48/43/97/387484397.db2.gz ZKEAWNHVVVVSMS-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CCC1 ZINC000355146283 387487153 /nfs/dbraw/zinc/48/71/53/387487153.db2.gz BVPPIENMMACMOD-GXTWGEPZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CCC1 ZINC000355146283 387487155 /nfs/dbraw/zinc/48/71/55/387487155.db2.gz BVPPIENMMACMOD-GXTWGEPZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000122151607 387488577 /nfs/dbraw/zinc/48/85/77/387488577.db2.gz JBSZZTOEYHARIE-OLZOCXBDSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)CCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000122151607 387488581 /nfs/dbraw/zinc/48/85/81/387488581.db2.gz JBSZZTOEYHARIE-OLZOCXBDSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C(\C)Cl)C1 ZINC000528398582 387587539 /nfs/dbraw/zinc/58/75/39/387587539.db2.gz HQOKQGUVOGDEPF-YQJFHSMKSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C(\C)Cl)C1 ZINC000528398582 387587543 /nfs/dbraw/zinc/58/75/43/387587543.db2.gz HQOKQGUVOGDEPF-YQJFHSMKSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C(\C)Cl)C1 ZINC000528398582 387587546 /nfs/dbraw/zinc/58/75/46/387587546.db2.gz HQOKQGUVOGDEPF-YQJFHSMKSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C(\C)Cl)C1 ZINC000528398582 387587549 /nfs/dbraw/zinc/58/75/49/387587549.db2.gz HQOKQGUVOGDEPF-YQJFHSMKSA-N 2 2 244.810 2.793 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)s1 ZINC000041050912 387587883 /nfs/dbraw/zinc/58/78/83/387587883.db2.gz AAFPBOZJSJBXBU-NSHDSACASA-N 2 2 235.356 2.604 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1C ZINC000041119279 387592273 /nfs/dbraw/zinc/59/22/73/387592273.db2.gz UJEIMOZUMBWHNK-CQSZACIVSA-N 2 2 243.354 2.851 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037157464 387559579 /nfs/dbraw/zinc/55/95/79/387559579.db2.gz AGKRXDQCAIERKK-OLZOCXBDSA-N 2 2 223.364 2.686 20 0 BFADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Cl)o1 ZINC000037487048 387566180 /nfs/dbraw/zinc/56/61/80/387566180.db2.gz FEUSQIQTPVMJRB-UHFFFAOYSA-N 2 2 244.766 2.610 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)c1ccc(C)cc1 ZINC000038088670 387572938 /nfs/dbraw/zinc/57/29/38/387572938.db2.gz CYIBOIXJFOVRKF-UKRRQHHQSA-N 2 2 234.387 2.986 20 0 BFADLP C[C@@H](C[NH2+]CCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000313264054 387631143 /nfs/dbraw/zinc/63/11/43/387631143.db2.gz MRONQXKPLJKRBC-ZDUSSCGKSA-N 2 2 249.402 2.769 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000430692997 387640990 /nfs/dbraw/zinc/64/09/90/387640990.db2.gz YLCSYMJEUDHDRB-MJBXVCDLSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000430692994 387641251 /nfs/dbraw/zinc/64/12/51/387641251.db2.gz YLCSYMJEUDHDRB-BFHYXJOUSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CCC1CCCCC1 ZINC000125068163 387644439 /nfs/dbraw/zinc/64/44/39/387644439.db2.gz IWJDRGRMWPMSNL-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP CCC[NH+]1CCC([N@H+](C)C[C@H](F)CC)CC1 ZINC000440784304 387695196 /nfs/dbraw/zinc/69/51/96/387695196.db2.gz MVCPXLJUDJJZDT-GFCCVEGCSA-N 2 2 230.371 2.541 20 0 BFADLP CCC[NH+]1CCC([N@@H+](C)C[C@H](F)CC)CC1 ZINC000440784304 387695206 /nfs/dbraw/zinc/69/52/06/387695206.db2.gz MVCPXLJUDJJZDT-GFCCVEGCSA-N 2 2 230.371 2.541 20 0 BFADLP CCC[C@H](C)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376730777 387664744 /nfs/dbraw/zinc/66/47/44/387664744.db2.gz ZGRWYQQNGWAZPZ-LBPRGKRZSA-N 2 2 235.375 2.745 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)C(F)(F)CC)C1 ZINC000527721568 387674250 /nfs/dbraw/zinc/67/42/50/387674250.db2.gz OPWVDWPVPBFWHQ-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(F)(F)CC)C1 ZINC000527721568 387674256 /nfs/dbraw/zinc/67/42/56/387674256.db2.gz OPWVDWPVPBFWHQ-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)[C@@H](C)CC ZINC000163494842 387681639 /nfs/dbraw/zinc/68/16/39/387681639.db2.gz SPXWDLVHCCUXLB-STQMWFEESA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@@H](C)CC ZINC000163494842 387681645 /nfs/dbraw/zinc/68/16/45/387681645.db2.gz SPXWDLVHCCUXLB-STQMWFEESA-N 2 2 214.397 2.743 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000044684316 387688184 /nfs/dbraw/zinc/68/81/84/387688184.db2.gz QQLCVIRHBOCEML-SMDDNHRTSA-N 2 2 248.345 2.713 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000044684316 387688186 /nfs/dbraw/zinc/68/81/86/387688186.db2.gz QQLCVIRHBOCEML-SMDDNHRTSA-N 2 2 248.345 2.713 20 0 BFADLP CC[C@H](F)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000440780549 387696671 /nfs/dbraw/zinc/69/66/71/387696671.db2.gz GXFXRSUIGRMCOL-UONOGXRCSA-N 2 2 242.382 2.685 20 0 BFADLP CC[C@H](F)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000440780549 387696677 /nfs/dbraw/zinc/69/66/77/387696677.db2.gz GXFXRSUIGRMCOL-UONOGXRCSA-N 2 2 242.382 2.685 20 0 BFADLP c1cc(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)c[nH]1 ZINC000527751568 387693383 /nfs/dbraw/zinc/69/33/83/387693383.db2.gz JNBMZCBFKZWTSV-OAHLLOKOSA-N 2 2 247.386 2.511 20 0 BFADLP c1cc(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)c[nH]1 ZINC000527751568 387693387 /nfs/dbraw/zinc/69/33/87/387693387.db2.gz JNBMZCBFKZWTSV-OAHLLOKOSA-N 2 2 247.386 2.511 20 0 BFADLP CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000356910909 387743942 /nfs/dbraw/zinc/74/39/42/387743942.db2.gz ZHQCWZNDZBLIKR-QWHCGFSZSA-N 2 2 249.402 2.635 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCCC1 ZINC000367437658 387709397 /nfs/dbraw/zinc/70/93/97/387709397.db2.gz JIMRLEONAGKQAX-GFCCVEGCSA-N 2 2 247.386 2.888 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC[C@@H]2CC=CCC2)n1C ZINC000527789802 387714679 /nfs/dbraw/zinc/71/46/79/387714679.db2.gz OJYQUEHJTUNDMI-CYBMUJFWSA-N 2 2 233.359 2.565 20 0 BFADLP C1=CC[C@@H](C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527804881 387729234 /nfs/dbraw/zinc/72/92/34/387729234.db2.gz CDNPSEQDUXGICR-GDBMZVCRSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@@H](C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527804881 387729238 /nfs/dbraw/zinc/72/92/38/387729238.db2.gz CDNPSEQDUXGICR-GDBMZVCRSA-N 2 2 248.414 2.949 20 0 BFADLP CC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527811055 387732073 /nfs/dbraw/zinc/73/20/73/387732073.db2.gz WRYCCKQYCWZIIG-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527811055 387732077 /nfs/dbraw/zinc/73/20/77/387732077.db2.gz WRYCCKQYCWZIIG-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000643525881 387755992 /nfs/dbraw/zinc/75/59/92/387755992.db2.gz GPCWYKPTWGHHKQ-YUMQZZPRSA-N 2 2 247.169 2.991 20 0 BFADLP CCc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000377704190 387741448 /nfs/dbraw/zinc/74/14/48/387741448.db2.gz VZXTWSVVBXWCGG-UHFFFAOYSA-N 2 2 244.382 2.529 20 0 BFADLP CCc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1 ZINC000377704190 387741457 /nfs/dbraw/zinc/74/14/57/387741457.db2.gz VZXTWSVVBXWCGG-UHFFFAOYSA-N 2 2 244.382 2.529 20 0 BFADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643527129 387763652 /nfs/dbraw/zinc/76/36/52/387763652.db2.gz DEYOFSOLYYEVHB-GXSJLCMTSA-N 2 2 232.327 2.739 20 0 BFADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528014 387774589 /nfs/dbraw/zinc/77/45/89/387774589.db2.gz XIYKBXOPXOTPOJ-QWRGUYRKSA-N 2 2 246.354 2.993 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000643529401 387776817 /nfs/dbraw/zinc/77/68/17/387776817.db2.gz ZINCAPZZQPXHBN-SFYZADRCSA-N 2 2 247.169 2.991 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000643529400 387777794 /nfs/dbraw/zinc/77/77/94/387777794.db2.gz ZINCAPZZQPXHBN-JGVFFNPUSA-N 2 2 247.169 2.991 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527980620 387798510 /nfs/dbraw/zinc/79/85/10/387798510.db2.gz ITOJSWUOFLAQLK-YCPHGPKFSA-N 2 2 248.414 2.805 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC[C@H]1CC=CCC1 ZINC000527980620 387798514 /nfs/dbraw/zinc/79/85/14/387798514.db2.gz ITOJSWUOFLAQLK-YCPHGPKFSA-N 2 2 248.414 2.805 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000564045718 387806200 /nfs/dbraw/zinc/80/62/00/387806200.db2.gz FSIJMVYIBNQVAW-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000564045718 387806205 /nfs/dbraw/zinc/80/62/05/387806205.db2.gz FSIJMVYIBNQVAW-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528002136 387808081 /nfs/dbraw/zinc/80/80/81/387808081.db2.gz PBJJRGYADAKIIS-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528002136 387808087 /nfs/dbraw/zinc/80/80/87/387808087.db2.gz PBJJRGYADAKIIS-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H](C)[NH3+])oc2c1 ZINC000643526703 387756939 /nfs/dbraw/zinc/75/69/39/387756939.db2.gz FAESOGNLNLYMPM-WDEREUQCSA-N 2 2 232.327 2.739 20 0 BFADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527859323 387759362 /nfs/dbraw/zinc/75/93/62/387759362.db2.gz OSDDSOGQWKFIEU-MGPQQGTHSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527859320 387759716 /nfs/dbraw/zinc/75/97/16/387759716.db2.gz OSDDSOGQWKFIEU-BFHYXJOUSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CCC1 ZINC000528007831 387820124 /nfs/dbraw/zinc/82/01/24/387820124.db2.gz CPKURXOGUVOPGD-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CCC1 ZINC000528007831 387820127 /nfs/dbraw/zinc/82/01/27/387820127.db2.gz CPKURXOGUVOPGD-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000309555043 387820862 /nfs/dbraw/zinc/82/08/62/387820862.db2.gz JLJOMZBBRGBBPR-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000309555043 387820865 /nfs/dbraw/zinc/82/08/65/387820865.db2.gz JLJOMZBBRGBBPR-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)CC([NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000433093383 387864533 /nfs/dbraw/zinc/86/45/33/387864533.db2.gz QMWKZDOZEGOGIY-CQSZACIVSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+]C[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000433093383 387864538 /nfs/dbraw/zinc/86/45/38/387864538.db2.gz QMWKZDOZEGOGIY-CQSZACIVSA-N 2 2 236.403 2.782 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000053201901 387815420 /nfs/dbraw/zinc/81/54/20/387815420.db2.gz VQWCPFAJSJYSSW-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](CC[C@@H](C)c2ccccc2)C1 ZINC000053201901 387815423 /nfs/dbraw/zinc/81/54/23/387815423.db2.gz VQWCPFAJSJYSSW-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000053448146 387817958 /nfs/dbraw/zinc/81/79/58/387817958.db2.gz TYKUIZYKOYSAGU-ZIAGYGMSSA-N 2 2 246.398 2.821 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000053448146 387817962 /nfs/dbraw/zinc/81/79/62/387817962.db2.gz TYKUIZYKOYSAGU-ZIAGYGMSSA-N 2 2 246.398 2.821 20 0 BFADLP C[C@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000423082524 387878413 /nfs/dbraw/zinc/87/84/13/387878413.db2.gz XCNVBYLATVYAMO-BLLLJJGKSA-N 2 2 244.382 2.794 20 0 BFADLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423137359 387913129 /nfs/dbraw/zinc/91/31/29/387913129.db2.gz WFHLXQKJPKGYBB-CABCVRRESA-N 2 2 248.345 2.673 20 0 BFADLP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2F)c2ccccc21 ZINC000423144734 387919967 /nfs/dbraw/zinc/91/99/67/387919967.db2.gz HUMFKIKVXNRYGI-FQUUOJAGSA-N 2 2 234.318 2.611 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000533038235 387924570 /nfs/dbraw/zinc/92/45/70/387924570.db2.gz IQNNYWMMFSFWFP-QLFBSQMISA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000533038235 387924573 /nfs/dbraw/zinc/92/45/73/387924573.db2.gz IQNNYWMMFSFWFP-QLFBSQMISA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000533038236 387924940 /nfs/dbraw/zinc/92/49/40/387924940.db2.gz IQNNYWMMFSFWFP-RBSFLKMASA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@H]1CCC[C@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000533038236 387924945 /nfs/dbraw/zinc/92/49/45/387924945.db2.gz IQNNYWMMFSFWFP-RBSFLKMASA-N 2 2 238.419 2.743 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+]CC[N@H+](C)CC ZINC000158800630 387961195 /nfs/dbraw/zinc/96/11/95/387961195.db2.gz OPNJWOVVPNXCJT-OLZOCXBDSA-N 2 2 214.397 2.743 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+]CC[N@@H+](C)CC ZINC000158800630 387961199 /nfs/dbraw/zinc/96/11/99/387961199.db2.gz OPNJWOVVPNXCJT-OLZOCXBDSA-N 2 2 214.397 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245572115 387961485 /nfs/dbraw/zinc/96/14/85/387961485.db2.gz GWIABKNBDOWRDK-QLFBSQMISA-N 2 2 245.370 2.875 20 0 BFADLP C[C@@H]1CC[N@H+]([C@H]2C=CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245572115 387961489 /nfs/dbraw/zinc/96/14/89/387961489.db2.gz GWIABKNBDOWRDK-QLFBSQMISA-N 2 2 245.370 2.875 20 0 BFADLP CC(C)Sc1ccc([C@H](C)[NH2+]CC[NH3+])cc1 ZINC000423179204 387966445 /nfs/dbraw/zinc/96/64/45/387966445.db2.gz JESJUKLWCFJMLE-NSHDSACASA-N 2 2 238.400 2.796 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)[C@H]1CCCC[NH2+]1 ZINC000423182323 387967169 /nfs/dbraw/zinc/96/71/69/387967169.db2.gz LNZFFYFJOLJTGB-AAVRWANBSA-N 2 2 248.370 2.646 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000245615584 387968221 /nfs/dbraw/zinc/96/82/21/387968221.db2.gz XUGFDIVDNGSMOG-ZIAGYGMSSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000245615584 387968224 /nfs/dbraw/zinc/96/82/24/387968224.db2.gz XUGFDIVDNGSMOG-ZIAGYGMSSA-N 2 2 233.359 2.538 20 0 BFADLP C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000245649718 387968834 /nfs/dbraw/zinc/96/88/34/387968834.db2.gz GYMKIRGGMNKVFI-RYUDHWBXSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000245649718 387968835 /nfs/dbraw/zinc/96/88/35/387968835.db2.gz GYMKIRGGMNKVFI-RYUDHWBXSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000245649715 387969179 /nfs/dbraw/zinc/96/91/79/387969179.db2.gz GYMKIRGGMNKVFI-NEPJUHHUSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)[C@H]1C ZINC000245649715 387969184 /nfs/dbraw/zinc/96/91/84/387969184.db2.gz GYMKIRGGMNKVFI-NEPJUHHUSA-N 2 2 229.327 2.565 20 0 BFADLP Fc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423193874 387979066 /nfs/dbraw/zinc/97/90/66/387979066.db2.gz QYIXTXZFQWPNGL-HUUCEWRRSA-N 2 2 248.345 2.618 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453086732 387980263 /nfs/dbraw/zinc/98/02/63/387980263.db2.gz HMYSZSRQVFBVDJ-OAHLLOKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453086732 387980266 /nfs/dbraw/zinc/98/02/66/387980266.db2.gz HMYSZSRQVFBVDJ-OAHLLOKOSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000245701436 387974538 /nfs/dbraw/zinc/97/45/38/387974538.db2.gz DDWCNHCKQDLHJF-WCQYABFASA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000245701436 387974544 /nfs/dbraw/zinc/97/45/44/387974544.db2.gz DDWCNHCKQDLHJF-WCQYABFASA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245701436 387974548 /nfs/dbraw/zinc/97/45/48/387974548.db2.gz DDWCNHCKQDLHJF-WCQYABFASA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245701436 387974551 /nfs/dbraw/zinc/97/45/51/387974551.db2.gz DDWCNHCKQDLHJF-WCQYABFASA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000245701433 387974881 /nfs/dbraw/zinc/97/48/81/387974881.db2.gz DDWCNHCKQDLHJF-AAEUAGOBSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000245701433 387974885 /nfs/dbraw/zinc/97/48/85/387974885.db2.gz DDWCNHCKQDLHJF-AAEUAGOBSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245701433 387974887 /nfs/dbraw/zinc/97/48/87/387974887.db2.gz DDWCNHCKQDLHJF-AAEUAGOBSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)o1 ZINC000245701433 387974892 /nfs/dbraw/zinc/97/48/92/387974892.db2.gz DDWCNHCKQDLHJF-AAEUAGOBSA-N 2 2 236.359 2.503 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423191269 387976549 /nfs/dbraw/zinc/97/65/49/387976549.db2.gz OWDQKJBRIQPAKH-KGLIPLIRSA-N 2 2 236.334 2.618 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453064010 387977115 /nfs/dbraw/zinc/97/71/15/387977115.db2.gz FQNZPZRYRNRJGI-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453064010 387977120 /nfs/dbraw/zinc/97/71/20/387977120.db2.gz FQNZPZRYRNRJGI-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000423205560 387990737 /nfs/dbraw/zinc/99/07/37/387990737.db2.gz CAAYXHZILUCVQJ-CZUORRHYSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccccn1 ZINC000423198433 387984438 /nfs/dbraw/zinc/98/44/38/387984438.db2.gz FVPJUMKRVIJIHT-ZDUSSCGKSA-N 2 2 247.386 2.784 20 0 BFADLP C[C@H](C[NH2+][C@H](C1CC1)C1CCC1)[N@H+](C)C1CC1 ZINC000453096059 387984750 /nfs/dbraw/zinc/98/47/50/387984750.db2.gz IAXIZKYEEPOVAP-ABAIWWIYSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H](C1CC1)C1CCC1)[N@@H+](C)C1CC1 ZINC000453096059 387984758 /nfs/dbraw/zinc/98/47/58/387984758.db2.gz IAXIZKYEEPOVAP-ABAIWWIYSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccco1 ZINC000423199108 387986240 /nfs/dbraw/zinc/98/62/40/387986240.db2.gz JBISDZBGGUANEQ-GFCCVEGCSA-N 2 2 236.359 2.982 20 0 BFADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000423215391 387998118 /nfs/dbraw/zinc/99/81/18/387998118.db2.gz NQXJRIBEFALHCC-HIFRSBDPSA-N 2 2 244.382 2.632 20 0 BFADLP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423219849 388000318 /nfs/dbraw/zinc/00/03/18/388000318.db2.gz WUZDMELKQXRBIF-UHOFOFEASA-N 2 2 244.382 2.823 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH2+]C)c1ccc(Cl)cc1 ZINC000423227165 388011056 /nfs/dbraw/zinc/01/10/56/388011056.db2.gz URNQYOSCSPMWGK-CYBMUJFWSA-N 2 2 240.778 2.990 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000423224639 388005520 /nfs/dbraw/zinc/00/55/20/388005520.db2.gz JRENTCQNQGZRKW-ZDUSSCGKSA-N 2 2 234.387 2.755 20 0 BFADLP CC[C@H]([NH2+]CC[NH2+]C)c1cccc(Cl)c1 ZINC000423225183 388006866 /nfs/dbraw/zinc/00/68/66/388006866.db2.gz LPVWIQFAOGQTGE-LBPRGKRZSA-N 2 2 226.751 2.600 20 0 BFADLP CC[C@@H]([NH2+]CC[NH2+]C)c1cccc(Cl)c1 ZINC000423225182 388007019 /nfs/dbraw/zinc/00/70/19/388007019.db2.gz LPVWIQFAOGQTGE-GFCCVEGCSA-N 2 2 226.751 2.600 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000453193372 388007074 /nfs/dbraw/zinc/00/70/74/388007074.db2.gz MFAPRMZFXDRDED-CAEXGNQWSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000453193372 388007080 /nfs/dbraw/zinc/00/70/80/388007080.db2.gz MFAPRMZFXDRDED-CAEXGNQWSA-N 2 2 238.419 2.883 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000423241415 388023888 /nfs/dbraw/zinc/02/38/88/388023888.db2.gz IBXICTHRPFEFHO-SECBINFHSA-N 2 2 244.741 2.739 20 0 BFADLP Cc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCC2)o1 ZINC000423241292 388024437 /nfs/dbraw/zinc/02/44/37/388024437.db2.gz UYYXVPUKWNQKOV-HIFRSBDPSA-N 2 2 248.370 2.771 20 0 BFADLP Cc1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCC2)o1 ZINC000423241290 388025046 /nfs/dbraw/zinc/02/50/46/388025046.db2.gz UYYXVPUKWNQKOV-DZGCQCFKSA-N 2 2 248.370 2.771 20 0 BFADLP CCC[C@H]([NH2+]CC[NH2+]C)c1ccc(Cl)cc1 ZINC000423227166 388011867 /nfs/dbraw/zinc/01/18/67/388011867.db2.gz URNQYOSCSPMWGK-ZDUSSCGKSA-N 2 2 240.778 2.990 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1 ZINC000246194394 388017971 /nfs/dbraw/zinc/01/79/71/388017971.db2.gz IGAVCMDQJFJTSD-UKRRQHHQSA-N 2 2 232.371 2.822 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1 ZINC000246194394 388017975 /nfs/dbraw/zinc/01/79/75/388017975.db2.gz IGAVCMDQJFJTSD-UKRRQHHQSA-N 2 2 232.371 2.822 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1C ZINC000423234128 388018295 /nfs/dbraw/zinc/01/82/95/388018295.db2.gz KZYOWKCLCCDXIV-UONOGXRCSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H]1CCCC[C@H]1C ZINC000453233651 388018893 /nfs/dbraw/zinc/01/88/93/388018893.db2.gz RPPIANZBKIZFDJ-RFGFWPKPSA-N 2 2 226.408 2.741 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC000246194382 388019047 /nfs/dbraw/zinc/01/90/47/388019047.db2.gz IGAVCMDQJFJTSD-HIFRSBDPSA-N 2 2 232.371 2.822 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1 ZINC000246194382 388019053 /nfs/dbraw/zinc/01/90/53/388019053.db2.gz IGAVCMDQJFJTSD-HIFRSBDPSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000423238980 388021977 /nfs/dbraw/zinc/02/19/77/388021977.db2.gz RMCDYAIBLJJBFZ-ZIAGYGMSSA-N 2 2 236.334 2.618 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000156694858 388023003 /nfs/dbraw/zinc/02/30/03/388023003.db2.gz OLCQYZDRNYUBGN-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000156694858 388023007 /nfs/dbraw/zinc/02/30/07/388023007.db2.gz OLCQYZDRNYUBGN-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP [NH3+][C@H](C[NH2+][C@H](C1CC1)C1CCC1)c1ccccc1 ZINC000423251199 388033571 /nfs/dbraw/zinc/03/35/71/388033571.db2.gz ROVQWTZDSQKHGZ-CVEARBPZSA-N 2 2 244.382 2.855 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000423250997 388033679 /nfs/dbraw/zinc/03/36/79/388033679.db2.gz VFYPPKZZDROIHT-NSHDSACASA-N 2 2 246.329 2.849 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)oc1C ZINC000423259538 388039214 /nfs/dbraw/zinc/03/92/14/388039214.db2.gz FFJXYTLOZCCSEN-YPMHNXCESA-N 2 2 238.375 2.920 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000423263332 388041775 /nfs/dbraw/zinc/04/17/75/388041775.db2.gz AXPMAXWTQSWZLR-NOZJJQNGSA-N 2 2 242.313 2.599 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000082859326 388042680 /nfs/dbraw/zinc/04/26/80/388042680.db2.gz KJSDEEWGELCFGT-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)[C@H]1C ZINC000082859326 388042684 /nfs/dbraw/zinc/04/26/84/388042684.db2.gz KJSDEEWGELCFGT-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000082859332 388043004 /nfs/dbraw/zinc/04/30/04/388043004.db2.gz MJTMOSUBSQVDHW-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000082859332 388043005 /nfs/dbraw/zinc/04/30/05/388043005.db2.gz MJTMOSUBSQVDHW-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000423243802 388026496 /nfs/dbraw/zinc/02/64/96/388026496.db2.gz KIEJTBNMKDXIPB-OAHLLOKOSA-N 2 2 232.371 2.653 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000423243877 388027562 /nfs/dbraw/zinc/02/75/62/388027562.db2.gz KQKUVZVCYMHMHX-CYBMUJFWSA-N 2 2 220.360 2.564 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1cc2ccc(C)cc2o1 ZINC000423244609 388028109 /nfs/dbraw/zinc/02/81/09/388028109.db2.gz LIOXPUVMROJMHM-LLVKDONJSA-N 2 2 232.327 2.611 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000423245873 388028223 /nfs/dbraw/zinc/02/82/23/388028223.db2.gz MOTOLQVEISOERD-ZDUSSCGKSA-N 2 2 240.778 2.990 20 0 BFADLP C[NH2+]CC[NH2+][C@H]1C[C@H](C(C)C)c2ccccc21 ZINC000423247414 388030000 /nfs/dbraw/zinc/03/00/00/388030000.db2.gz PFBOJUAFNAEPON-CABCVRRESA-N 2 2 232.371 2.680 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccccc1F ZINC000423272647 388052832 /nfs/dbraw/zinc/05/28/32/388052832.db2.gz JZJULLMMACXSOC-UONOGXRCSA-N 2 2 238.350 2.850 20 0 BFADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423280470 388062117 /nfs/dbraw/zinc/06/21/17/388062117.db2.gz SQITXTXHBLHCJH-GWCFXTLKSA-N 2 2 244.338 2.821 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423283195 388064966 /nfs/dbraw/zinc/06/49/66/388064966.db2.gz WQGLGYATYPOZRD-RNCFNFMXSA-N 2 2 242.313 2.599 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423283199 388066008 /nfs/dbraw/zinc/06/60/08/388066008.db2.gz WQGLGYATYPOZRD-ZANVPECISA-N 2 2 242.313 2.599 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C(C)(C)C ZINC000453381491 388066313 /nfs/dbraw/zinc/06/63/13/388066313.db2.gz BBIJZYDIYNOHLG-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C(C)(C)C ZINC000453381491 388066315 /nfs/dbraw/zinc/06/63/15/388066315.db2.gz BBIJZYDIYNOHLG-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000453386605 388067406 /nfs/dbraw/zinc/06/74/06/388067406.db2.gz DULDBXCVLVIMRP-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000453386605 388067409 /nfs/dbraw/zinc/06/74/09/388067409.db2.gz DULDBXCVLVIMRP-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1ccc([C@@H]([NH2+]CC(C)(C)[NH3+])C2CCC2)o1 ZINC000423288605 388072534 /nfs/dbraw/zinc/07/25/34/388072534.db2.gz TYHVVAFAZZWKMM-ZDUSSCGKSA-N 2 2 236.359 2.756 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1(C)CC1 ZINC000453403970 388073191 /nfs/dbraw/zinc/07/31/91/388073191.db2.gz RFUFMYKGLNBQBF-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1(C)CC1 ZINC000453403970 388073194 /nfs/dbraw/zinc/07/31/94/388073194.db2.gz RFUFMYKGLNBQBF-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)[C@H]1CCC[C@@H](C)C1 ZINC000453412012 388076701 /nfs/dbraw/zinc/07/67/01/388076701.db2.gz SFSCDBSGYXSSJO-QTVXIADOSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)[C@H]1CCC[C@@H](C)C1 ZINC000453412012 388076703 /nfs/dbraw/zinc/07/67/03/388076703.db2.gz SFSCDBSGYXSSJO-QTVXIADOSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCC[C@@H](C)C1 ZINC000453412011 388076934 /nfs/dbraw/zinc/07/69/34/388076934.db2.gz SFSCDBSGYXSSJO-NIFZNCRKSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCC[C@@H](C)C1 ZINC000453412011 388076937 /nfs/dbraw/zinc/07/69/37/388076937.db2.gz SFSCDBSGYXSSJO-NIFZNCRKSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1cccc(C)c1C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000536892950 388081738 /nfs/dbraw/zinc/08/17/38/388081738.db2.gz ITQZUTDSLNNUJZ-CYBMUJFWSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1cccc(C)c1C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000536892950 388081741 /nfs/dbraw/zinc/08/17/41/388081741.db2.gz ITQZUTDSLNNUJZ-CYBMUJFWSA-N 2 2 246.398 2.735 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1(C)CC1 ZINC000447599082 388081850 /nfs/dbraw/zinc/08/18/50/388081850.db2.gz IZMOIYMDVSAQFB-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1(C)CC1 ZINC000447599082 388081851 /nfs/dbraw/zinc/08/18/51/388081851.db2.gz IZMOIYMDVSAQFB-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000085085306 388083863 /nfs/dbraw/zinc/08/38/63/388083863.db2.gz MRRQUHASHQPKOO-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000085085306 388083865 /nfs/dbraw/zinc/08/38/65/388083865.db2.gz MRRQUHASHQPKOO-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000085098484 388083880 /nfs/dbraw/zinc/08/38/80/388083880.db2.gz XDDAEJVJCCODAP-ZOBORPQBSA-N 2 2 235.375 2.686 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C(C)(C)C[NH+](C)C ZINC000453600088 388090019 /nfs/dbraw/zinc/09/00/19/388090019.db2.gz CCTVHPGSXQGBBC-KBPBESRZSA-N 2 2 238.419 2.909 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000447808887 388094176 /nfs/dbraw/zinc/09/41/76/388094176.db2.gz YYSSYOYOKPUBBW-ZDUSSCGKSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000447808887 388094177 /nfs/dbraw/zinc/09/41/77/388094177.db2.gz YYSSYOYOKPUBBW-ZDUSSCGKSA-N 2 2 247.386 2.922 20 0 BFADLP C[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)Cc1ccccc1 ZINC000453627895 388094846 /nfs/dbraw/zinc/09/48/46/388094846.db2.gz VXYVCMCEORCLDM-CQSZACIVSA-N 2 2 248.414 2.795 20 0 BFADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccco1 ZINC000423269628 388049951 /nfs/dbraw/zinc/04/99/51/388049951.db2.gz VZHAPUVHYSQGPX-DGCLKSJQSA-N 2 2 236.359 2.838 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000449196439 388156504 /nfs/dbraw/zinc/15/65/04/388156504.db2.gz SELDMNIMOBJPGS-SNPRPXQTSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000449196439 388156505 /nfs/dbraw/zinc/15/65/05/388156505.db2.gz SELDMNIMOBJPGS-SNPRPXQTSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC2(CC2)CC1 ZINC000488454142 388180527 /nfs/dbraw/zinc/18/05/27/388180527.db2.gz IIGCUOOIDYHTEF-LBPRGKRZSA-N 2 2 233.359 2.584 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449107237 388144149 /nfs/dbraw/zinc/14/41/49/388144149.db2.gz LVRFWUBQOUMURT-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449107237 388144151 /nfs/dbraw/zinc/14/41/51/388144151.db2.gz LVRFWUBQOUMURT-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000166611856 388255203 /nfs/dbraw/zinc/25/52/03/388255203.db2.gz GJBNRVMYGJDFFU-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000166611856 388255206 /nfs/dbraw/zinc/25/52/06/388255206.db2.gz GJBNRVMYGJDFFU-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H](C)C3CC3)c[nH+]c12 ZINC000449445650 388207992 /nfs/dbraw/zinc/20/79/92/388207992.db2.gz KBPHKEINKXNNJJ-NSHDSACASA-N 2 2 229.327 2.531 20 0 BFADLP CC/C=C\C[NH2+]CCCc1c[nH+]ccc1C ZINC000449453601 388209593 /nfs/dbraw/zinc/20/95/93/388209593.db2.gz IDXUDNYCSCNJLA-PLNGDYQASA-N 2 2 218.344 2.878 20 0 BFADLP CC/C=C/C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449460347 388210777 /nfs/dbraw/zinc/21/07/77/388210777.db2.gz RMJHLSNSXLTOOS-SNAWJCMRSA-N 2 2 229.327 2.699 20 0 BFADLP CC[NH+]1CCC([N@H+](C)Cc2ccoc2C)CC1 ZINC000490420071 388238809 /nfs/dbraw/zinc/23/88/09/388238809.db2.gz VHHKPRITMFXWEA-UHFFFAOYSA-N 2 2 236.359 2.504 20 0 BFADLP CC[NH+]1CCC([N@@H+](C)Cc2ccoc2C)CC1 ZINC000490420071 388238811 /nfs/dbraw/zinc/23/88/11/388238811.db2.gz VHHKPRITMFXWEA-UHFFFAOYSA-N 2 2 236.359 2.504 20 0 BFADLP CC(C)[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000459376855 388242777 /nfs/dbraw/zinc/24/27/77/388242777.db2.gz NXFBAGSNDYRNTG-CQSZACIVSA-N 2 2 249.402 2.721 20 0 BFADLP CC(C)[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000459376855 388242778 /nfs/dbraw/zinc/24/27/78/388242778.db2.gz NXFBAGSNDYRNTG-CQSZACIVSA-N 2 2 249.402 2.721 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000324185142 388379665 /nfs/dbraw/zinc/37/96/65/388379665.db2.gz VTPUGVWBJVMERV-KYOSRNDESA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000324185142 388379667 /nfs/dbraw/zinc/37/96/67/388379667.db2.gz VTPUGVWBJVMERV-KYOSRNDESA-N 2 2 236.403 2.636 20 0 BFADLP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]CC[NH+](C)C)cc1 ZINC000572846415 388380904 /nfs/dbraw/zinc/38/09/04/388380904.db2.gz ZJMMDGMQPBJURA-JKSUJKDBSA-N 2 2 246.398 2.782 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1 ZINC000026513509 388443015 /nfs/dbraw/zinc/44/30/15/388443015.db2.gz CZMAASSWPODNEU-ZDUSSCGKSA-N 2 2 229.327 2.624 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C1CCC1 ZINC000322686109 388443940 /nfs/dbraw/zinc/44/39/40/388443940.db2.gz KVTRPISJLRWDQG-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C1CCC1 ZINC000322686109 388443941 /nfs/dbraw/zinc/44/39/41/388443941.db2.gz KVTRPISJLRWDQG-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCCc1ccccc1 ZINC000308613875 388445243 /nfs/dbraw/zinc/44/52/43/388445243.db2.gz JNAUJNSCIBAWJM-UHFFFAOYSA-N 2 2 234.387 2.549 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)C1 ZINC000308612983 388445247 /nfs/dbraw/zinc/44/52/47/388445247.db2.gz HYUAVEMVPCCKPC-GXTWGEPZSA-N 2 2 238.419 2.909 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCCCc1ccccc1 ZINC000308636223 388446332 /nfs/dbraw/zinc/44/63/32/388446332.db2.gz LRHVJHSWFGNGBS-UHFFFAOYSA-N 2 2 248.414 2.939 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000308637583 388446599 /nfs/dbraw/zinc/44/65/99/388446599.db2.gz QYYAALGBMDKMOY-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP CCC[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCC1 ZINC000322847461 388448609 /nfs/dbraw/zinc/44/86/09/388448609.db2.gz OBEHGTPSSFEYRN-AWEZNQCLSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC000336656172 388459221 /nfs/dbraw/zinc/45/92/21/388459221.db2.gz AJYYULQPIHLGQE-GFCCVEGCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336673915 388461330 /nfs/dbraw/zinc/46/13/30/388461330.db2.gz BAZBQXWSSQDGFI-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000336673915 388461333 /nfs/dbraw/zinc/46/13/33/388461333.db2.gz BAZBQXWSSQDGFI-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000309731814 388463004 /nfs/dbraw/zinc/46/30/04/388463004.db2.gz FKWZRMDKBDCCJF-HZSPNIEDSA-N 2 2 224.392 2.661 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000309731814 388463005 /nfs/dbraw/zinc/46/30/05/388463005.db2.gz FKWZRMDKBDCCJF-HZSPNIEDSA-N 2 2 224.392 2.661 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+][C@@H](C)C[NH+](C)C ZINC000309848854 388466817 /nfs/dbraw/zinc/46/68/17/388466817.db2.gz HZMRSMZFQPYOAI-RDBSUJKOSA-N 2 2 224.392 2.519 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)C1CCCCCC1 ZINC000309978103 388471158 /nfs/dbraw/zinc/47/11/58/388471158.db2.gz UUELDGUBECFFGZ-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)C1CCCCCC1 ZINC000309978103 388471161 /nfs/dbraw/zinc/47/11/61/388471161.db2.gz UUELDGUBECFFGZ-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000524771169 388407983 /nfs/dbraw/zinc/40/79/83/388407983.db2.gz PGKQRZZRDSWTQI-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000524771169 388407985 /nfs/dbraw/zinc/40/79/85/388407985.db2.gz PGKQRZZRDSWTQI-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000295096955 388409312 /nfs/dbraw/zinc/40/93/12/388409312.db2.gz UJJGPMGXUSOQRD-YHWZYXNKSA-N 2 2 248.370 2.557 20 0 BFADLP CCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000295096955 388409315 /nfs/dbraw/zinc/40/93/15/388409315.db2.gz UJJGPMGXUSOQRD-YHWZYXNKSA-N 2 2 248.370 2.557 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000513495513 388430772 /nfs/dbraw/zinc/43/07/72/388430772.db2.gz QOSXMBKLQKFXGH-GXTWGEPZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000513495513 388430775 /nfs/dbraw/zinc/43/07/75/388430775.db2.gz QOSXMBKLQKFXGH-GXTWGEPZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000397687489 388490634 /nfs/dbraw/zinc/49/06/34/388490634.db2.gz KOFRUDPLDQVFQB-GFQSEFKGSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H]1CC1(C)C ZINC000397687489 388490635 /nfs/dbraw/zinc/49/06/35/388490635.db2.gz KOFRUDPLDQVFQB-GFQSEFKGSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397790766 388499722 /nfs/dbraw/zinc/49/97/22/388499722.db2.gz DAUVNABQCIXILY-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CCC1 ZINC000397797216 388500332 /nfs/dbraw/zinc/50/03/32/388500332.db2.gz BOUKUKLQRAHYML-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000397905733 388510821 /nfs/dbraw/zinc/51/08/21/388510821.db2.gz VSCAXRHOFSDLRW-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000397992159 388514795 /nfs/dbraw/zinc/51/47/95/388514795.db2.gz OVHKOJWZJCMMMR-AWEZNQCLSA-N 2 2 232.371 2.822 20 0 BFADLP C/C(Cl)=C/C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528414938 388521292 /nfs/dbraw/zinc/52/12/92/388521292.db2.gz ADCPBBLAMVJIBU-FGUAACIASA-N 2 2 239.750 2.732 20 0 BFADLP C/C(Cl)=C/C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528414938 388521293 /nfs/dbraw/zinc/52/12/93/388521293.db2.gz ADCPBBLAMVJIBU-FGUAACIASA-N 2 2 239.750 2.732 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+](C)[C@H](C)C[NH3+] ZINC000347199254 388522192 /nfs/dbraw/zinc/52/21/92/388522192.db2.gz IVOIVOQJTUEGSI-SNVBAGLBSA-N 2 2 232.327 2.520 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+](C)[C@H](C)C[NH3+] ZINC000347199254 388522195 /nfs/dbraw/zinc/52/21/95/388522195.db2.gz IVOIVOQJTUEGSI-SNVBAGLBSA-N 2 2 232.327 2.520 20 0 BFADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000347027090 388522552 /nfs/dbraw/zinc/52/25/52/388522552.db2.gz UKFLUZOUSYWYBA-JTQLQIEISA-N 2 2 240.416 2.825 20 0 BFADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000347027090 388522555 /nfs/dbraw/zinc/52/25/55/388522555.db2.gz UKFLUZOUSYWYBA-JTQLQIEISA-N 2 2 240.416 2.825 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000528427510 388524176 /nfs/dbraw/zinc/52/41/76/388524176.db2.gz OPHSPDFOYLGBPM-ZDUSSCGKSA-N 2 2 247.386 2.646 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528427510 388524179 /nfs/dbraw/zinc/52/41/79/388524179.db2.gz OPHSPDFOYLGBPM-ZDUSSCGKSA-N 2 2 247.386 2.646 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000245707521 388599663 /nfs/dbraw/zinc/59/96/63/388599663.db2.gz MSQULFSZUMJIAX-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000245707521 388599664 /nfs/dbraw/zinc/59/96/64/388599664.db2.gz MSQULFSZUMJIAX-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000245707517 388600169 /nfs/dbraw/zinc/60/01/69/388600169.db2.gz MSQULFSZUMJIAX-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000245707517 388600170 /nfs/dbraw/zinc/60/01/70/388600170.db2.gz MSQULFSZUMJIAX-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)c(C)s1 ZINC000385379817 388574385 /nfs/dbraw/zinc/57/43/85/388574385.db2.gz RWQDSBRRMNAGST-UHFFFAOYSA-N 2 2 238.400 2.678 20 0 BFADLP Cc1cc(C[N@H+](C)C2(C[NH3+])CCC2)c(C)s1 ZINC000385379817 388574388 /nfs/dbraw/zinc/57/43/88/388574388.db2.gz RWQDSBRRMNAGST-UHFFFAOYSA-N 2 2 238.400 2.678 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000530178066 388621540 /nfs/dbraw/zinc/62/15/40/388621540.db2.gz OAAQUIKWZRXPJL-HNNXBMFYSA-N 2 2 244.382 2.678 20 0 BFADLP CC(C)C(C[NH2+][C@H]1CCn2cc[nH+]c2C1)C(C)C ZINC000551593250 388634834 /nfs/dbraw/zinc/63/48/34/388634834.db2.gz ZDFHITYPADYFRG-ZDUSSCGKSA-N 2 2 249.402 2.716 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000247045986 388657570 /nfs/dbraw/zinc/65/75/70/388657570.db2.gz MZCPSEUDBVEMNL-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000247045986 388657573 /nfs/dbraw/zinc/65/75/73/388657573.db2.gz MZCPSEUDBVEMNL-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000552034349 388661989 /nfs/dbraw/zinc/66/19/89/388661989.db2.gz QCVCINJIBQXAIY-UONOGXRCSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248995479 388703777 /nfs/dbraw/zinc/70/37/77/388703777.db2.gz LXVAQSKELUHXMI-DYEKYZERSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000248995479 388703780 /nfs/dbraw/zinc/70/37/80/388703780.db2.gz LXVAQSKELUHXMI-DYEKYZERSA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000226271458 388713767 /nfs/dbraw/zinc/71/37/67/388713767.db2.gz INOUCVOKNAMNPQ-TUVASFSCSA-N 2 2 240.435 2.987 20 0 BFADLP Cc1ccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000554093386 388799644 /nfs/dbraw/zinc/79/96/44/388799644.db2.gz ZITJPZYKROSUQS-CABCVRRESA-N 2 2 248.414 2.856 20 0 BFADLP Fc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672971 388769820 /nfs/dbraw/zinc/76/98/20/388769820.db2.gz FTQGSASMJYYCPY-KGLIPLIRSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672971 388769824 /nfs/dbraw/zinc/76/98/24/388769824.db2.gz FTQGSASMJYYCPY-KGLIPLIRSA-N 2 2 248.345 2.542 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000252709455 388772016 /nfs/dbraw/zinc/77/20/16/388772016.db2.gz CXHMZXGOFLUAIZ-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000252709455 388772017 /nfs/dbraw/zinc/77/20/17/388772017.db2.gz CXHMZXGOFLUAIZ-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000252709951 388773743 /nfs/dbraw/zinc/77/37/43/388773743.db2.gz FHNNHCAGDGWEEE-CYDGBPFRSA-N 2 2 224.392 2.636 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000252709951 388773745 /nfs/dbraw/zinc/77/37/45/388773745.db2.gz FHNNHCAGDGWEEE-CYDGBPFRSA-N 2 2 224.392 2.636 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000252713738 388775216 /nfs/dbraw/zinc/77/52/16/388775216.db2.gz QBHZKLZMACNJOT-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000252713738 388775222 /nfs/dbraw/zinc/77/52/22/388775222.db2.gz QBHZKLZMACNJOT-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000093064617 388824053 /nfs/dbraw/zinc/82/40/53/388824053.db2.gz SARGKKFQAXJKMG-HOCLYGCPSA-N 2 2 248.414 2.795 20 0 BFADLP CC(C)CC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311442 388831105 /nfs/dbraw/zinc/83/11/05/388831105.db2.gz CTRWLTGHIXPVKQ-HNNXBMFYSA-N 2 2 232.371 2.591 20 0 BFADLP CC(C)CC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000069311442 388831110 /nfs/dbraw/zinc/83/11/10/388831110.db2.gz CTRWLTGHIXPVKQ-HNNXBMFYSA-N 2 2 232.371 2.591 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000230996984 388833387 /nfs/dbraw/zinc/83/33/87/388833387.db2.gz LGQUAWDWKJVIEY-MJBXVCDLSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000400420258 533445100 /nfs/dbraw/zinc/44/51/00/533445100.db2.gz WQFAORHIBXZJMT-PSASIEDQSA-N 2 2 244.791 2.632 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)[C@@H]1C ZINC000495051587 533647406 /nfs/dbraw/zinc/64/74/06/533647406.db2.gz ODZOZQRPVZQDNB-JHJVBQTASA-N 2 2 233.359 2.518 20 0 BFADLP CCC[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932203 132295265 /nfs/dbraw/zinc/29/52/65/132295265.db2.gz MOSJXAXTELZBID-CYBMUJFWSA-N 2 2 247.386 2.829 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+](CC)CC ZINC000042579397 322838890 /nfs/dbraw/zinc/83/88/90/322838890.db2.gz AQSUKZBQWSGNQU-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000347119750 133805213 /nfs/dbraw/zinc/80/52/13/133805213.db2.gz DVLUAKKMTURQIH-KCQAQPDRSA-N 2 2 232.371 2.677 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000347119750 133805214 /nfs/dbraw/zinc/80/52/14/133805214.db2.gz DVLUAKKMTURQIH-KCQAQPDRSA-N 2 2 232.371 2.677 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000336009755 134050435 /nfs/dbraw/zinc/05/04/35/134050435.db2.gz BNYAYXUIXRSGIE-QWHCGFSZSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000336009755 134050436 /nfs/dbraw/zinc/05/04/36/134050436.db2.gz BNYAYXUIXRSGIE-QWHCGFSZSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000178309146 134308331 /nfs/dbraw/zinc/30/83/31/134308331.db2.gz RVMZTXUUZVMBRR-CZUORRHYSA-N 2 2 244.382 2.605 20 0 BFADLP CC(C)c1[nH+]ccn1Cc1c[nH+]c2ccccn12 ZINC000182832489 134345698 /nfs/dbraw/zinc/34/56/98/134345698.db2.gz DBOLECHMYAXPSX-UHFFFAOYSA-N 2 2 240.310 2.703 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[NH+]1CCCn1cc[nH+]c1 ZINC000183177020 134348834 /nfs/dbraw/zinc/34/88/34/134348834.db2.gz OWNIKCORCWJUAH-CHWSQXEVSA-N 2 2 221.348 2.536 20 0 BFADLP Cc1ccc(F)c(C[NH2+][C@@H](C)CC[NH+](C)C)c1 ZINC000227285942 134379602 /nfs/dbraw/zinc/37/96/02/134379602.db2.gz BBEZXFMTVCTFDF-LBPRGKRZSA-N 2 2 238.350 2.564 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000227563309 134383126 /nfs/dbraw/zinc/38/31/26/134383126.db2.gz CWXUYHWVPPMRPH-MGPQQGTHSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000227870804 134391423 /nfs/dbraw/zinc/39/14/23/134391423.db2.gz XUHHJLHRZWYETM-YUELXQCFSA-N 2 2 247.386 2.830 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000070761909 135011585 /nfs/dbraw/zinc/01/15/85/135011585.db2.gz NMQVLGDXEGDCSL-KGLIPLIRSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000248695992 135019822 /nfs/dbraw/zinc/01/98/22/135019822.db2.gz DDDUWQMKVVFXQH-HIFRSBDPSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cncc(C)c1 ZINC000248695992 135019823 /nfs/dbraw/zinc/01/98/23/135019823.db2.gz DDDUWQMKVVFXQH-HIFRSBDPSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000249908968 135047079 /nfs/dbraw/zinc/04/70/79/135047079.db2.gz IDAIQHIUSMOTRX-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000249908968 135047080 /nfs/dbraw/zinc/04/70/80/135047080.db2.gz IDAIQHIUSMOTRX-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000250319648 135051882 /nfs/dbraw/zinc/05/18/82/135051882.db2.gz MXMWTYBQFNIMSN-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000250319648 135051884 /nfs/dbraw/zinc/05/18/84/135051884.db2.gz MXMWTYBQFNIMSN-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccco1 ZINC000250891335 135060791 /nfs/dbraw/zinc/06/07/91/135060791.db2.gz DXAKCHBSZZVXAB-XQQFMLRXSA-N 2 2 234.343 2.557 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000250891335 135060792 /nfs/dbraw/zinc/06/07/92/135060792.db2.gz DXAKCHBSZZVXAB-XQQFMLRXSA-N 2 2 234.343 2.557 20 0 BFADLP CCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000251401626 135071246 /nfs/dbraw/zinc/07/12/46/135071246.db2.gz ZUHQBFSYPDGDGT-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000251401626 135071247 /nfs/dbraw/zinc/07/12/47/135071247.db2.gz ZUHQBFSYPDGDGT-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251686653 135074581 /nfs/dbraw/zinc/07/45/81/135074581.db2.gz HAWJIKLPSLVCBJ-AAVRWANBSA-N 2 2 235.375 2.686 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H]1C ZINC000252177088 135085969 /nfs/dbraw/zinc/08/59/69/135085969.db2.gz PFDBJMACMSSHCH-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000252205791 135086370 /nfs/dbraw/zinc/08/63/70/135086370.db2.gz XDDAEJVJCCODAP-RQJABVFESA-N 2 2 235.375 2.686 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000252202487 135086866 /nfs/dbraw/zinc/08/68/66/135086866.db2.gz UKEQBIOHEJZNQF-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCC[C@H]2C)C1 ZINC000252202487 135086867 /nfs/dbraw/zinc/08/68/67/135086867.db2.gz UKEQBIOHEJZNQF-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CCC(CC)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000252727993 135102575 /nfs/dbraw/zinc/10/25/75/135102575.db2.gz VOIVEIRVIUASIP-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP CCC(CC)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000252727993 135102578 /nfs/dbraw/zinc/10/25/78/135102578.db2.gz VOIVEIRVIUASIP-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP CCC(CC)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252727993 135102581 /nfs/dbraw/zinc/10/25/81/135102581.db2.gz VOIVEIRVIUASIP-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP CCC(CC)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000252727993 135102584 /nfs/dbraw/zinc/10/25/84/135102584.db2.gz VOIVEIRVIUASIP-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000252731436 135104725 /nfs/dbraw/zinc/10/47/25/135104725.db2.gz PXDPVTLYHVLCBC-FRRDWIJNSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000252731436 135104726 /nfs/dbraw/zinc/10/47/26/135104726.db2.gz PXDPVTLYHVLCBC-FRRDWIJNSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccccc1Cl ZINC000261529457 135155520 /nfs/dbraw/zinc/15/55/20/135155520.db2.gz AUBIKQYPYMAQLM-UTLUCORTSA-N 2 2 226.751 2.726 20 0 BFADLP C[C@@H]1C[N@H+](Cc2sccc2Cl)CC[C@@H]1[NH3+] ZINC000261538198 135175416 /nfs/dbraw/zinc/17/54/16/135175416.db2.gz XLJCEPJYLLCBQZ-SCZZXKLOSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2sccc2Cl)CC[C@@H]1[NH3+] ZINC000261538198 135175417 /nfs/dbraw/zinc/17/54/17/135175417.db2.gz XLJCEPJYLLCBQZ-SCZZXKLOSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@]1(C[NH3+])CC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000261538705 135176300 /nfs/dbraw/zinc/17/63/00/135176300.db2.gz YZQSKPUNNXNWHW-LLVKDONJSA-N 2 2 244.791 2.572 20 0 BFADLP C[C@]1(C[NH3+])CC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000261538705 135176301 /nfs/dbraw/zinc/17/63/01/135176301.db2.gz YZQSKPUNNXNWHW-LLVKDONJSA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccsc2Cl)C1 ZINC000261548667 135187182 /nfs/dbraw/zinc/18/71/82/135187182.db2.gz NVAXZAIIBYTCCS-BDAKNGLRSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261548667 135187183 /nfs/dbraw/zinc/18/71/83/135187183.db2.gz NVAXZAIIBYTCCS-BDAKNGLRSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccsc2Cl)CC[C@@H]1[NH3+] ZINC000261554467 135194242 /nfs/dbraw/zinc/19/42/42/135194242.db2.gz UFNFQVPQUGYYIK-SCZZXKLOSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccsc2Cl)CC[C@@H]1[NH3+] ZINC000261554467 135194244 /nfs/dbraw/zinc/19/42/44/135194244.db2.gz UFNFQVPQUGYYIK-SCZZXKLOSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccsc2Cl)CC[C@@H]1[NH3+] ZINC000261554469 135194677 /nfs/dbraw/zinc/19/46/77/135194677.db2.gz UFNFQVPQUGYYIK-WPRPVWTQSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccsc2Cl)CC[C@@H]1[NH3+] ZINC000261554469 135194678 /nfs/dbraw/zinc/19/46/78/135194678.db2.gz UFNFQVPQUGYYIK-WPRPVWTQSA-N 2 2 244.791 2.571 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261559300 135200495 /nfs/dbraw/zinc/20/04/95/135200495.db2.gz TVILOWWBGCRQIE-SWLSCSKDSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H]2C)cc1 ZINC000261559300 135200497 /nfs/dbraw/zinc/20/04/97/135200497.db2.gz TVILOWWBGCRQIE-SWLSCSKDSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261559299 135200623 /nfs/dbraw/zinc/20/06/23/135200623.db2.gz TVILOWWBGCRQIE-IUODEOHRSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000261559299 135200624 /nfs/dbraw/zinc/20/06/24/135200624.db2.gz TVILOWWBGCRQIE-IUODEOHRSA-N 2 2 232.371 2.732 20 0 BFADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000261584405 135225293 /nfs/dbraw/zinc/22/52/93/135225293.db2.gz SEIHNYOKYFSUOI-WBMJQRKESA-N 2 2 240.350 2.761 20 0 BFADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000261584405 135225295 /nfs/dbraw/zinc/22/52/95/135225295.db2.gz SEIHNYOKYFSUOI-WBMJQRKESA-N 2 2 240.350 2.761 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261591813 135232901 /nfs/dbraw/zinc/23/29/01/135232901.db2.gz YARGTBPNFJYVKL-YGRLFVJLSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@H]1C ZINC000261591813 135232902 /nfs/dbraw/zinc/23/29/02/135232902.db2.gz YARGTBPNFJYVKL-YGRLFVJLSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccsc2Cl)C1 ZINC000261592400 135232908 /nfs/dbraw/zinc/23/29/08/135232908.db2.gz VUSUZZXAYSZOLG-NSHDSACASA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccsc2Cl)C1 ZINC000261592400 135232909 /nfs/dbraw/zinc/23/29/09/135232909.db2.gz VUSUZZXAYSZOLG-NSHDSACASA-N 2 2 244.791 2.572 20 0 BFADLP CC(C)(C)C[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261594461 135235072 /nfs/dbraw/zinc/23/50/72/135235072.db2.gz XOGBTCDPNLPIGJ-NSHDSACASA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)(C)C[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261594461 135235073 /nfs/dbraw/zinc/23/50/73/135235073.db2.gz XOGBTCDPNLPIGJ-NSHDSACASA-N 2 2 212.381 2.624 20 0 BFADLP Cc1[nH+]ccn1CC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000342370184 135267834 /nfs/dbraw/zinc/26/78/34/135267834.db2.gz KELRQNFUXBUQDJ-UHFFFAOYSA-N 2 2 249.402 2.950 20 0 BFADLP CC1(C)C[NH+](CCn2cc[nH+]c2)CC(C)(C)C1 ZINC000342379314 135269319 /nfs/dbraw/zinc/26/93/19/135269319.db2.gz SDEMZTBMUMEPDC-UHFFFAOYSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000342629899 135297488 /nfs/dbraw/zinc/29/74/88/135297488.db2.gz CIZQGXFHFSVLBT-AWEZNQCLSA-N 2 2 243.354 2.955 20 0 BFADLP CC(C)[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000342629899 135297490 /nfs/dbraw/zinc/29/74/90/135297490.db2.gz CIZQGXFHFSVLBT-AWEZNQCLSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC1(C)C)[NH+]1CCC(C)CC1 ZINC000342687375 135305303 /nfs/dbraw/zinc/30/53/03/135305303.db2.gz IQKMVCHYACRUNP-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1 ZINC000342761449 135325226 /nfs/dbraw/zinc/32/52/26/135325226.db2.gz XHRYWIKPGKAFCD-KCQAQPDRSA-N 2 2 232.371 2.820 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1 ZINC000342761449 135325227 /nfs/dbraw/zinc/32/52/27/135325227.db2.gz XHRYWIKPGKAFCD-KCQAQPDRSA-N 2 2 232.371 2.820 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@H+](CC[NH3+])C1CC1 ZINC000263044388 135329185 /nfs/dbraw/zinc/32/91/85/135329185.db2.gz TVTRVGPPUVLHAP-SNVBAGLBSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@@H+](CC[NH3+])C1CC1 ZINC000263044388 135329187 /nfs/dbraw/zinc/32/91/87/135329187.db2.gz TVTRVGPPUVLHAP-SNVBAGLBSA-N 2 2 238.762 2.824 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000342947691 135337761 /nfs/dbraw/zinc/33/77/61/135337761.db2.gz TWURZPMSBKWIHP-ZBFHGGJFSA-N 2 2 246.398 2.549 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCCc2ccccc2)C1 ZINC000342947691 135337762 /nfs/dbraw/zinc/33/77/62/135337762.db2.gz TWURZPMSBKWIHP-ZBFHGGJFSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCc1c[nH+]cn1C ZINC000347744583 136010713 /nfs/dbraw/zinc/01/07/13/136010713.db2.gz GSSWQTAAUOGQMP-IPYPFGDCSA-N 2 2 247.386 2.616 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCc1c[nH+]cn1C ZINC000347744583 136010714 /nfs/dbraw/zinc/01/07/14/136010714.db2.gz GSSWQTAAUOGQMP-IPYPFGDCSA-N 2 2 247.386 2.616 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000348064466 136025725 /nfs/dbraw/zinc/02/57/25/136025725.db2.gz AKCKSSZZKDMHEI-TZMCWYRMSA-N 2 2 243.354 2.655 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CCC(F)(F)F ZINC000348067050 136025962 /nfs/dbraw/zinc/02/59/62/136025962.db2.gz CWBMZOKHYDCRII-UHFFFAOYSA-N 2 2 246.276 2.865 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CC1(C)C ZINC000348053095 136031674 /nfs/dbraw/zinc/03/16/74/136031674.db2.gz ZUUROFXMDNFBPH-CQSZACIVSA-N 2 2 232.371 2.958 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)[N@H+](C)C1CC1 ZINC000348123618 136033340 /nfs/dbraw/zinc/03/33/40/136033340.db2.gz VPECQGNGQGHXOS-XBFCOCLRSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)(C)C)[N@@H+](C)C1CC1 ZINC000348123618 136033341 /nfs/dbraw/zinc/03/33/41/136033341.db2.gz VPECQGNGQGHXOS-XBFCOCLRSA-N 2 2 238.419 2.883 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000348080165 136034419 /nfs/dbraw/zinc/03/44/19/136034419.db2.gz HIMFZWXZLUFWIW-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000348080165 136034420 /nfs/dbraw/zinc/03/44/20/136034420.db2.gz HIMFZWXZLUFWIW-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000348097212 136035562 /nfs/dbraw/zinc/03/55/62/136035562.db2.gz UENWSGZXDDQXGQ-YDHLFZDLSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000348097212 136035563 /nfs/dbraw/zinc/03/55/63/136035563.db2.gz UENWSGZXDDQXGQ-YDHLFZDLSA-N 2 2 238.419 2.741 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000348112705 136037382 /nfs/dbraw/zinc/03/73/82/136037382.db2.gz QSMWAWRPCZSEQR-MCIONIFRSA-N 2 2 247.386 2.847 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000348112704 136037407 /nfs/dbraw/zinc/03/74/07/136037407.db2.gz QSMWAWRPCZSEQR-HZSPNIEDSA-N 2 2 247.386 2.847 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348251111 136057335 /nfs/dbraw/zinc/05/73/35/136057335.db2.gz YDRKCATVFPYBAT-JKSUJKDBSA-N 2 2 246.398 2.720 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348251111 136057336 /nfs/dbraw/zinc/05/73/36/136057336.db2.gz YDRKCATVFPYBAT-JKSUJKDBSA-N 2 2 246.398 2.720 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000348269816 136058269 /nfs/dbraw/zinc/05/82/69/136058269.db2.gz GIAOXMDOEUNMKT-RRCSTGOVSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000348317414 136068645 /nfs/dbraw/zinc/06/86/45/136068645.db2.gz XXDFBPZWSNZQCI-RRCSTGOVSA-N 2 2 246.398 2.718 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCC13CCCC3)C2 ZINC000335375043 136085306 /nfs/dbraw/zinc/08/53/06/136085306.db2.gz VQEZYDWYXBIREZ-BXUZGUMPSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCC13CCCC3)CC2 ZINC000335375043 136085307 /nfs/dbraw/zinc/08/53/07/136085307.db2.gz VQEZYDWYXBIREZ-BXUZGUMPSA-N 2 2 245.370 2.579 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C1CC(C)(C)C1)CCC2 ZINC000335573745 136110408 /nfs/dbraw/zinc/11/04/08/136110408.db2.gz FDOYYBQSKKMITG-LBPRGKRZSA-N 2 2 247.386 2.847 20 0 BFADLP CC[C@H](Cc1ccc(C)cc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449555571 397956245 /nfs/dbraw/zinc/95/62/45/397956245.db2.gz IEBSADZVARNSLO-GOEBONIOSA-N 2 2 248.414 2.856 20 0 BFADLP Cc1ccc(CC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000449556747 397956388 /nfs/dbraw/zinc/95/63/88/397956388.db2.gz OBPIXOIUVMWGGK-CABCVRRESA-N 2 2 248.414 2.856 20 0 BFADLP Cc1[nH+]cn(Cc2cc(OC(C)C)cc[nH+]2)c1C ZINC000649530633 397922217 /nfs/dbraw/zinc/92/22/17/397922217.db2.gz BYVBVRDDLUMLQN-UHFFFAOYSA-N 2 2 245.326 2.730 20 0 BFADLP COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000647884340 397923549 /nfs/dbraw/zinc/92/35/49/397923549.db2.gz DOULXGJIZBQJIU-TZMCWYRMSA-N 2 2 248.370 2.569 20 0 BFADLP COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H](C)[NH3+] ZINC000647884340 397923553 /nfs/dbraw/zinc/92/35/53/397923553.db2.gz DOULXGJIZBQJIU-TZMCWYRMSA-N 2 2 248.370 2.569 20 0 BFADLP CCC[C@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271719896 397971305 /nfs/dbraw/zinc/97/13/05/397971305.db2.gz JQFWTLQQQAYDMX-LBPRGKRZSA-N 2 2 231.343 2.955 20 0 BFADLP CCC[C@H](C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271719896 397971309 /nfs/dbraw/zinc/97/13/09/397971309.db2.gz JQFWTLQQQAYDMX-LBPRGKRZSA-N 2 2 231.343 2.955 20 0 BFADLP Cc1ccsc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271763971 397972998 /nfs/dbraw/zinc/97/29/98/397972998.db2.gz AKCKIYCXUHOJPT-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP Cc1ccsc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271763971 397973010 /nfs/dbraw/zinc/97/30/10/397973010.db2.gz AKCKIYCXUHOJPT-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000648450069 398052132 /nfs/dbraw/zinc/05/21/32/398052132.db2.gz QGVNQVAHFSLMEP-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000648450069 398052135 /nfs/dbraw/zinc/05/21/35/398052135.db2.gz QGVNQVAHFSLMEP-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCC1 ZINC000648450068 398052187 /nfs/dbraw/zinc/05/21/87/398052187.db2.gz QGVNQVAHFSLMEP-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCC1 ZINC000648450068 398052190 /nfs/dbraw/zinc/05/21/90/398052190.db2.gz QGVNQVAHFSLMEP-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000648450061 398052259 /nfs/dbraw/zinc/05/22/59/398052259.db2.gz QDSITXGLJPYGAI-GJZGRUSLSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000648450061 398052264 /nfs/dbraw/zinc/05/22/64/398052264.db2.gz QDSITXGLJPYGAI-GJZGRUSLSA-N 2 2 248.414 2.783 20 0 BFADLP C[C@H](C[N@@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000291611723 398097420 /nfs/dbraw/zinc/09/74/20/398097420.db2.gz RBWXYLQYWVWRAH-CYBMUJFWSA-N 2 2 241.338 2.502 20 0 BFADLP C[C@H](C[N@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000291611723 398097425 /nfs/dbraw/zinc/09/74/25/398097425.db2.gz RBWXYLQYWVWRAH-CYBMUJFWSA-N 2 2 241.338 2.502 20 0 BFADLP C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000062016725 398110819 /nfs/dbraw/zinc/11/08/19/398110819.db2.gz IZYXYGBXGGGDTA-NSHDSACASA-N 2 2 240.778 2.942 20 0 BFADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000062016725 398110823 /nfs/dbraw/zinc/11/08/23/398110823.db2.gz IZYXYGBXGGGDTA-NSHDSACASA-N 2 2 240.778 2.942 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000414949614 398123666 /nfs/dbraw/zinc/12/36/66/398123666.db2.gz FDHUEWNCFLFQNB-SECBINFHSA-N 2 2 244.741 2.567 20 0 BFADLP C[NH+](C)C1(C[NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000397852137 398123792 /nfs/dbraw/zinc/12/37/92/398123792.db2.gz KLIXCQYZCVLFEP-UHFFFAOYSA-N 2 2 244.382 2.616 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C/C=C/c2ccccc2)C1 ZINC000525800645 398122556 /nfs/dbraw/zinc/12/25/56/398122556.db2.gz WZGRWBCZAUOIRQ-SBJJXXPASA-N 2 2 244.382 2.631 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C/C=C/c2ccccc2)C1 ZINC000525800645 398122559 /nfs/dbraw/zinc/12/25/59/398122559.db2.gz WZGRWBCZAUOIRQ-SBJJXXPASA-N 2 2 244.382 2.631 20 0 BFADLP C[C@H]1C[N@H+](Cc2c[nH+]c[nH]2)CCc2ccccc21 ZINC000649836085 398133638 /nfs/dbraw/zinc/13/36/38/398133638.db2.gz ZMQVPSKLBWTJCD-LBPRGKRZSA-N 2 2 241.338 2.572 20 0 BFADLP C[C@H]1C[N@@H+](Cc2c[nH+]c[nH]2)CCc2ccccc21 ZINC000649836085 398133640 /nfs/dbraw/zinc/13/36/40/398133640.db2.gz ZMQVPSKLBWTJCD-LBPRGKRZSA-N 2 2 241.338 2.572 20 0 BFADLP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000252102494 322871850 /nfs/dbraw/zinc/87/18/50/322871850.db2.gz INOUCVOKNAMNPQ-BARDWOONSA-N 2 2 240.435 2.987 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680340448 487569192 /nfs/dbraw/zinc/56/91/92/487569192.db2.gz DUJFOSYZEQWBJQ-KGLIPLIRSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680340448 487569194 /nfs/dbraw/zinc/56/91/94/487569194.db2.gz DUJFOSYZEQWBJQ-KGLIPLIRSA-N 2 2 236.403 2.639 20 0 BFADLP CCCc1[nH+]ccn1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000318662043 487574476 /nfs/dbraw/zinc/57/44/76/487574476.db2.gz JZLIVKLAAWBVRT-ZIAGYGMSSA-N 2 2 249.402 2.814 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])s1 ZINC000227192308 487587921 /nfs/dbraw/zinc/58/79/21/487587921.db2.gz VQFVXWNMLJWLJP-ZWNOBZJWSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])s1 ZINC000227192308 487587926 /nfs/dbraw/zinc/58/79/26/487587926.db2.gz VQFVXWNMLJWLJP-ZWNOBZJWSA-N 2 2 238.400 2.616 20 0 BFADLP c1ccc([C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)C2CC2)cc1 ZINC000232476384 487596998 /nfs/dbraw/zinc/59/69/98/487596998.db2.gz PFNBXMYDJDHDLN-HOTGVXAUSA-N 2 2 244.382 2.869 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+]Cc1csc2ccccc12 ZINC000162130346 487608656 /nfs/dbraw/zinc/60/86/56/487608656.db2.gz PRZLZXWWHHQHNR-JTQLQIEISA-N 2 2 234.368 2.599 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000162153064 487608683 /nfs/dbraw/zinc/60/86/83/487608683.db2.gz WGAUGUDKOOICST-LBPRGKRZSA-N 2 2 220.360 2.508 20 0 BFADLP CC(C)=CCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000662265187 409560347 /nfs/dbraw/zinc/56/03/47/409560347.db2.gz GCZLHQAXVZZBSV-UHFFFAOYSA-N 2 2 232.371 2.804 20 0 BFADLP CC(C)=CCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000662265187 409560358 /nfs/dbraw/zinc/56/03/58/409560358.db2.gz GCZLHQAXVZZBSV-UHFFFAOYSA-N 2 2 232.371 2.804 20 0 BFADLP [NH3+]C1(C[NH2+]Cc2ccsc2Cl)CCCC1 ZINC000312775880 409913892 /nfs/dbraw/zinc/91/38/92/409913892.db2.gz XQUQEZDYYMLGST-UHFFFAOYSA-N 2 2 244.791 2.763 20 0 BFADLP CC(C)C1CCC([NH2+]CCn2cc[nH+]c2)CC1 ZINC000054556353 166756228 /nfs/dbraw/zinc/75/62/28/166756228.db2.gz ZHNNGDGGUWTLHL-UHFFFAOYSA-N 2 2 235.375 2.688 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000665295014 410790247 /nfs/dbraw/zinc/79/02/47/410790247.db2.gz ZQJAUZKGIXMTAA-BDAKNGLRSA-N 2 2 244.741 2.738 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000665296117 410802780 /nfs/dbraw/zinc/80/27/80/410802780.db2.gz NBYHNCXBMJOTAT-IUODEOHRSA-N 2 2 232.371 2.570 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000665296118 410803057 /nfs/dbraw/zinc/80/30/57/410803057.db2.gz NBYHNCXBMJOTAT-SWLSCSKDSA-N 2 2 232.371 2.570 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000665295800 410804741 /nfs/dbraw/zinc/80/47/41/410804741.db2.gz JIXIMBNHNQVRBS-NEPJUHHUSA-N 2 2 238.350 2.701 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000665296454 410811687 /nfs/dbraw/zinc/81/16/87/410811687.db2.gz SSIXCRHBZONIEY-DOMZBBRYSA-N 2 2 232.371 2.652 20 0 BFADLP CC(C)[NH2+]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000125262509 167096815 /nfs/dbraw/zinc/09/68/15/167096815.db2.gz YLRNBVQZAGEUHE-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000186330850 167133180 /nfs/dbraw/zinc/13/31/80/167133180.db2.gz VDBXPMUBDVJLLR-JSGCOSHPSA-N 2 2 220.360 2.676 20 0 BFADLP CC(C)[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000125677340 167138695 /nfs/dbraw/zinc/13/86/95/167138695.db2.gz JXYGUFFJWLHBEX-GFCCVEGCSA-N 2 2 229.327 2.931 20 0 BFADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CC[NH3+] ZINC000062623324 167639177 /nfs/dbraw/zinc/63/91/77/167639177.db2.gz PTANEIYJCZXQNH-AWEZNQCLSA-N 2 2 248.370 2.572 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCCC[C@H]1C ZINC000651694624 411136603 /nfs/dbraw/zinc/13/66/03/411136603.db2.gz KQOYFMFSHZAYMV-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCCC[C@H]1C ZINC000651694624 411136604 /nfs/dbraw/zinc/13/66/04/411136604.db2.gz KQOYFMFSHZAYMV-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000651694594 411136691 /nfs/dbraw/zinc/13/66/91/411136691.db2.gz JKUIQKLHBTWATC-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000651694594 411136692 /nfs/dbraw/zinc/13/66/92/411136692.db2.gz JKUIQKLHBTWATC-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000651768138 411142748 /nfs/dbraw/zinc/14/27/48/411142748.db2.gz ZDYFPAYWWWHNNJ-GZBFAFLISA-N 2 2 247.386 2.756 20 0 BFADLP c1c[nH+]c(C2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)[nH]1 ZINC000659999356 411163713 /nfs/dbraw/zinc/16/37/13/411163713.db2.gz OTHNXUGNDURNGX-UBSAEIQESA-N 2 2 245.370 2.635 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000651828438 411146470 /nfs/dbraw/zinc/14/64/70/411146470.db2.gz KBQVZPVAJPOWJK-KGLIPLIRSA-N 2 2 235.375 2.521 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000651828437 411146550 /nfs/dbraw/zinc/14/65/50/411146550.db2.gz KBQVZPVAJPOWJK-KBPBESRZSA-N 2 2 235.375 2.521 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000651832781 411147136 /nfs/dbraw/zinc/14/71/36/411147136.db2.gz CMJHMQVAEZBWHI-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000651833376 411147166 /nfs/dbraw/zinc/14/71/66/411147166.db2.gz ZUUDMGPDQYEWKE-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[N@H+](Cc2cscc2Cl)CC[C@H]1[NH3+] ZINC000309372242 411113799 /nfs/dbraw/zinc/11/37/99/411113799.db2.gz CEIMWURSYPPHJM-GZMMTYOYSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@@H+](Cc2cscc2Cl)CC[C@H]1[NH3+] ZINC000309372242 411113802 /nfs/dbraw/zinc/11/38/02/411113802.db2.gz CEIMWURSYPPHJM-GZMMTYOYSA-N 2 2 244.791 2.571 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658093987 411243492 /nfs/dbraw/zinc/24/34/92/411243492.db2.gz WPXQTVBBIBGCQA-ZIAGYGMSSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658093987 411243497 /nfs/dbraw/zinc/24/34/97/411243497.db2.gz WPXQTVBBIBGCQA-ZIAGYGMSSA-N 2 2 238.419 2.883 20 0 BFADLP CCC(CC)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000656430703 411245100 /nfs/dbraw/zinc/24/51/00/411245100.db2.gz XMPCPVFANYQFMP-UHFFFAOYSA-N 2 2 235.375 2.616 20 0 BFADLP CCC(CC)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000656430703 411245102 /nfs/dbraw/zinc/24/51/02/411245102.db2.gz XMPCPVFANYQFMP-UHFFFAOYSA-N 2 2 235.375 2.616 20 0 BFADLP Cc1cccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)[nH+]1 ZINC000656227711 411213943 /nfs/dbraw/zinc/21/39/43/411213943.db2.gz SUVCXLCIKRWTTK-KGLIPLIRSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cccc(N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)[nH+]1 ZINC000656227711 411213947 /nfs/dbraw/zinc/21/39/47/411213947.db2.gz SUVCXLCIKRWTTK-KGLIPLIRSA-N 2 2 245.370 2.819 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C ZINC000658055025 411221049 /nfs/dbraw/zinc/22/10/49/411221049.db2.gz HJYGTFCDPMZWQR-RYUDHWBXSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C ZINC000658055025 411221051 /nfs/dbraw/zinc/22/10/51/411221051.db2.gz HJYGTFCDPMZWQR-RYUDHWBXSA-N 2 2 226.408 2.883 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+](CCC3CCC3)C2)[nH]1 ZINC000660077913 411221341 /nfs/dbraw/zinc/22/13/41/411221341.db2.gz RIVKAQWEOPVHEG-ZDUSSCGKSA-N 2 2 233.359 2.779 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+](CCC3CCC3)C2)[nH]1 ZINC000660077913 411221344 /nfs/dbraw/zinc/22/13/44/411221344.db2.gz RIVKAQWEOPVHEG-ZDUSSCGKSA-N 2 2 233.359 2.779 20 0 BFADLP C1CC2(C1)CC([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000656276642 411227765 /nfs/dbraw/zinc/22/77/65/411227765.db2.gz HSCTYRORPDJRPL-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC([NH2+][C@@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000656276642 411227769 /nfs/dbraw/zinc/22/77/69/411227769.db2.gz HSCTYRORPDJRPL-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1C[C@@H]1C ZINC000658064031 411229331 /nfs/dbraw/zinc/22/93/31/411229331.db2.gz XNINPDXEBGPBPM-XUXIUFHCSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1C[C@@H]1C ZINC000658064031 411229332 /nfs/dbraw/zinc/22/93/32/411229332.db2.gz XNINPDXEBGPBPM-XUXIUFHCSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1C[C@@H]1C ZINC000658064028 411229539 /nfs/dbraw/zinc/22/95/39/411229539.db2.gz XNINPDXEBGPBPM-FQUUOJAGSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@@H]1C[C@@H]1C ZINC000658064028 411229544 /nfs/dbraw/zinc/22/95/44/411229544.db2.gz XNINPDXEBGPBPM-FQUUOJAGSA-N 2 2 238.419 2.883 20 0 BFADLP CCC(CC)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658090215 411241203 /nfs/dbraw/zinc/24/12/03/411241203.db2.gz FNIMBQGMBVLAQE-GFCCVEGCSA-N 2 2 212.381 2.637 20 0 BFADLP CCC(CC)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658090215 411241204 /nfs/dbraw/zinc/24/12/04/411241204.db2.gz FNIMBQGMBVLAQE-GFCCVEGCSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[NH+](C)CC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655710652 411262933 /nfs/dbraw/zinc/26/29/33/411262933.db2.gz BGKQTCHAXPWJFB-STQMWFEESA-N 2 2 244.448 2.592 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC000658220902 411300274 /nfs/dbraw/zinc/30/02/74/411300274.db2.gz JVMKTTMALLHIHK-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC000658220902 411300276 /nfs/dbraw/zinc/30/02/76/411300276.db2.gz JVMKTTMALLHIHK-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1ccc(CCC[NH+]2CC3(CC(F)C3)C2)c[nH+]1 ZINC000656695918 411333321 /nfs/dbraw/zinc/33/33/21/411333321.db2.gz XOOAAAJNVMCCNC-UHFFFAOYSA-N 2 2 248.345 2.757 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000658286318 411322646 /nfs/dbraw/zinc/32/26/46/411322646.db2.gz RFKLFPYIVUUCBJ-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000658286318 411322651 /nfs/dbraw/zinc/32/26/51/411322651.db2.gz RFKLFPYIVUUCBJ-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000658284409 411322694 /nfs/dbraw/zinc/32/26/94/411322694.db2.gz GCMHXGNVZWXRMD-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000658284409 411322698 /nfs/dbraw/zinc/32/26/98/411322698.db2.gz GCMHXGNVZWXRMD-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+](C[C@@H](C)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000304306990 411359216 /nfs/dbraw/zinc/35/92/16/411359216.db2.gz PWVCMHJQZNVHPT-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+](C[C@@H](C)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000304306990 411359219 /nfs/dbraw/zinc/35/92/19/411359219.db2.gz PWVCMHJQZNVHPT-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])s1 ZINC000069725917 411360189 /nfs/dbraw/zinc/36/01/89/411360189.db2.gz VQFVXWNMLJWLJP-MFKMUULPSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C[NH3+])s1 ZINC000069725917 411360192 /nfs/dbraw/zinc/36/01/92/411360192.db2.gz VQFVXWNMLJWLJP-MFKMUULPSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1cc(Cl)ccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000656785891 411364665 /nfs/dbraw/zinc/36/46/65/411364665.db2.gz SHDNYIAODNSPQB-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1cc(Cl)ccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000656785891 411364667 /nfs/dbraw/zinc/36/46/67/411364667.db2.gz SHDNYIAODNSPQB-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP CC1([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCC1 ZINC000159922714 168062920 /nfs/dbraw/zinc/06/29/20/168062920.db2.gz BCNFMBSHNMXORR-UHFFFAOYSA-N 2 2 241.338 2.905 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[N@@H+](C)C(C)C ZINC000359076788 168101451 /nfs/dbraw/zinc/10/14/51/168101451.db2.gz BNBWSVFHQFPDFC-CABCVRRESA-N 2 2 238.419 2.909 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC[N@H+](C)C(C)C ZINC000359076788 168101453 /nfs/dbraw/zinc/10/14/53/168101453.db2.gz BNBWSVFHQFPDFC-CABCVRRESA-N 2 2 238.419 2.909 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000291604969 168102879 /nfs/dbraw/zinc/10/28/79/168102879.db2.gz QQZYBEPOFPLQNZ-ZFWWWQNUSA-N 2 2 245.370 2.691 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000291604969 168102881 /nfs/dbraw/zinc/10/28/81/168102881.db2.gz QQZYBEPOFPLQNZ-ZFWWWQNUSA-N 2 2 245.370 2.691 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CC=C(C)CC1 ZINC000290023370 168110197 /nfs/dbraw/zinc/11/01/97/168110197.db2.gz MUHGMJBQTZVUNN-UHFFFAOYSA-N 2 2 230.355 2.975 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC=C(C)CC1 ZINC000290023370 168110200 /nfs/dbraw/zinc/11/02/00/168110200.db2.gz MUHGMJBQTZVUNN-UHFFFAOYSA-N 2 2 230.355 2.975 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000129499336 168181648 /nfs/dbraw/zinc/18/16/48/168181648.db2.gz NVTLYGIUAKADIA-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@H]2CCC23CCC3)CC1 ZINC000337375622 168181721 /nfs/dbraw/zinc/18/17/21/168181721.db2.gz AFFMSDVXCYKLRJ-AWEZNQCLSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000125569729 411384378 /nfs/dbraw/zinc/38/43/78/411384378.db2.gz NNZZZSMMKZAUMI-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000125569729 411384379 /nfs/dbraw/zinc/38/43/79/411384379.db2.gz NNZZZSMMKZAUMI-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CCC(C)(C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271748920 168285798 /nfs/dbraw/zinc/28/57/98/168285798.db2.gz UPGIDSQAOBDSNS-UHFFFAOYSA-N 2 2 231.343 2.955 20 0 BFADLP CCC(C)(C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271748920 168285799 /nfs/dbraw/zinc/28/57/99/168285799.db2.gz UPGIDSQAOBDSNS-UHFFFAOYSA-N 2 2 231.343 2.955 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCC[C@@H](C)C1 ZINC000452061743 411440351 /nfs/dbraw/zinc/44/03/51/411440351.db2.gz PYOQQTDDHKPMTM-RDBSUJKOSA-N 2 2 235.375 2.688 20 0 BFADLP CCC[C@H](CC)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414825882 411449774 /nfs/dbraw/zinc/44/97/74/411449774.db2.gz DFUPWCFQANBNFR-UONOGXRCSA-N 2 2 220.360 2.855 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc2ccccc2o1 ZINC000414959637 411474211 /nfs/dbraw/zinc/47/42/11/411474211.db2.gz QAGSPKSFQHIMPZ-LLVKDONJSA-N 2 2 232.327 2.520 20 0 BFADLP C[C@H]1CC([NH2+]Cc2c[nH+]c3n2CCC3)C[C@H](C)C1 ZINC000657370612 411483382 /nfs/dbraw/zinc/48/33/82/411483382.db2.gz CUHGSWTWIOZNKQ-VXGBXAGGSA-N 2 2 247.386 2.744 20 0 BFADLP C1=CCC(C[N@@H+]2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000659872507 411483772 /nfs/dbraw/zinc/48/37/72/411483772.db2.gz CZCUJFJODPTIJV-MRXNPFEDSA-N 2 2 248.414 2.903 20 0 BFADLP C1=CCC(C[N@H+]2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000659872507 411483774 /nfs/dbraw/zinc/48/37/74/411483774.db2.gz CZCUJFJODPTIJV-MRXNPFEDSA-N 2 2 248.414 2.903 20 0 BFADLP CC(C)=CCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000660435199 411502754 /nfs/dbraw/zinc/50/27/54/411502754.db2.gz LSXJEDMGBAIPLA-OAHLLOKOSA-N 2 2 246.354 2.891 20 0 BFADLP CC(C)=CCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000660435199 411502757 /nfs/dbraw/zinc/50/27/57/411502757.db2.gz LSXJEDMGBAIPLA-OAHLLOKOSA-N 2 2 246.354 2.891 20 0 BFADLP C1=CCC(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000660077787 411534944 /nfs/dbraw/zinc/53/49/44/411534944.db2.gz PXEJEJNRTHBHFI-ZDUSSCGKSA-N 2 2 231.343 2.555 20 0 BFADLP C1=CCC(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000660077787 411534945 /nfs/dbraw/zinc/53/49/45/411534945.db2.gz PXEJEJNRTHBHFI-ZDUSSCGKSA-N 2 2 231.343 2.555 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000657483349 411529076 /nfs/dbraw/zinc/52/90/76/411529076.db2.gz PRHNULXIQWJHPH-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657486787 411530723 /nfs/dbraw/zinc/53/07/23/411530723.db2.gz BCDRMALLSBCQTQ-IUODEOHRSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657328182 411465954 /nfs/dbraw/zinc/46/59/54/411465954.db2.gz RQEVFVRSWHUOGR-OLZOCXBDSA-N 2 2 247.386 2.745 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000328509393 170013831 /nfs/dbraw/zinc/01/38/31/170013831.db2.gz MXJWOUKJRSBEAC-GOEBONIOSA-N 2 2 246.398 2.692 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000328509393 170013833 /nfs/dbraw/zinc/01/38/33/170013833.db2.gz MXJWOUKJRSBEAC-GOEBONIOSA-N 2 2 246.398 2.692 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000328328393 170014758 /nfs/dbraw/zinc/01/47/58/170014758.db2.gz GSZKEDKDZBSYHJ-HZPDHXFCSA-N 2 2 244.382 2.822 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000328328393 170014760 /nfs/dbraw/zinc/01/47/60/170014760.db2.gz GSZKEDKDZBSYHJ-HZPDHXFCSA-N 2 2 244.382 2.822 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000336888255 170020116 /nfs/dbraw/zinc/02/01/16/170020116.db2.gz DYFZPUBTBJXZPK-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000336888255 170020119 /nfs/dbraw/zinc/02/01/19/170020119.db2.gz DYFZPUBTBJXZPK-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000328509395 170022055 /nfs/dbraw/zinc/02/20/55/170022055.db2.gz MXJWOUKJRSBEAC-ZBFHGGJFSA-N 2 2 246.398 2.692 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000328509395 170022056 /nfs/dbraw/zinc/02/20/56/170022056.db2.gz MXJWOUKJRSBEAC-ZBFHGGJFSA-N 2 2 246.398 2.692 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000328441147 170023030 /nfs/dbraw/zinc/02/30/30/170023030.db2.gz ARIPWBKDSPHGRO-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000328441147 170023031 /nfs/dbraw/zinc/02/30/31/170023031.db2.gz ARIPWBKDSPHGRO-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP c1ccc(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655856629 411539096 /nfs/dbraw/zinc/53/90/96/411539096.db2.gz PNUODUMWPAIXIX-HZPDHXFCSA-N 2 2 244.382 2.793 20 0 BFADLP c1ccc(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655856629 411539099 /nfs/dbraw/zinc/53/90/99/411539099.db2.gz PNUODUMWPAIXIX-HZPDHXFCSA-N 2 2 244.382 2.793 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCCF ZINC000375384805 170024566 /nfs/dbraw/zinc/02/45/66/170024566.db2.gz RHSVQYUZFMXCDR-KGLIPLIRSA-N 2 2 242.382 2.685 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCCCF ZINC000375384805 170024568 /nfs/dbraw/zinc/02/45/68/170024568.db2.gz RHSVQYUZFMXCDR-KGLIPLIRSA-N 2 2 242.382 2.685 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCCF ZINC000375384805 170024570 /nfs/dbraw/zinc/02/45/70/170024570.db2.gz RHSVQYUZFMXCDR-KGLIPLIRSA-N 2 2 242.382 2.685 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCCCF ZINC000375384805 170024572 /nfs/dbraw/zinc/02/45/72/170024572.db2.gz RHSVQYUZFMXCDR-KGLIPLIRSA-N 2 2 242.382 2.685 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000358102303 170032159 /nfs/dbraw/zinc/03/21/59/170032159.db2.gz TVVFYXVLAGPPCC-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCCC2CCCC2)C1 ZINC000358102303 170032161 /nfs/dbraw/zinc/03/21/61/170032161.db2.gz TVVFYXVLAGPPCC-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000360047171 170039844 /nfs/dbraw/zinc/03/98/44/170039844.db2.gz SZMWNNWSBQKQOB-IACUBPJLSA-N 2 2 248.370 2.587 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3occc32)C1 ZINC000360047171 170039846 /nfs/dbraw/zinc/03/98/46/170039846.db2.gz SZMWNNWSBQKQOB-IACUBPJLSA-N 2 2 248.370 2.587 20 0 BFADLP CC(C)CCC[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657523581 411541745 /nfs/dbraw/zinc/54/17/45/411541745.db2.gz FZWBSHUTUZZVQB-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657523581 411541747 /nfs/dbraw/zinc/54/17/47/411541747.db2.gz FZWBSHUTUZZVQB-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@H]1C ZINC000655848081 411535849 /nfs/dbraw/zinc/53/58/49/411535849.db2.gz ASHGATKPGAKZHR-QKGCVVFFSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@H]1C ZINC000655848081 411535851 /nfs/dbraw/zinc/53/58/51/411535851.db2.gz ASHGATKPGAKZHR-QKGCVVFFSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)=CCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000660095788 411535899 /nfs/dbraw/zinc/53/58/99/411535899.db2.gz RVAGBHIEMQZOJH-UHFFFAOYSA-N 2 2 233.359 2.945 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000655849230 411536810 /nfs/dbraw/zinc/53/68/10/411536810.db2.gz QVCSEAOXULLBSW-SOUVJXGZSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000655849230 411536811 /nfs/dbraw/zinc/53/68/11/411536811.db2.gz QVCSEAOXULLBSW-SOUVJXGZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850341 411536841 /nfs/dbraw/zinc/53/68/41/411536841.db2.gz VCQYTBSYCKTCKO-LXTVHRRPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850341 411536842 /nfs/dbraw/zinc/53/68/42/411536842.db2.gz VCQYTBSYCKTCKO-LXTVHRRPSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849346 411538023 /nfs/dbraw/zinc/53/80/23/411538023.db2.gz ULZKBBGZFZQFLD-KBPBESRZSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849346 411538026 /nfs/dbraw/zinc/53/80/26/411538026.db2.gz ULZKBBGZFZQFLD-KBPBESRZSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cccc(NC[C@@H](C(C)C)[NH+]2CCCC2)[nH+]1 ZINC000663378103 411642336 /nfs/dbraw/zinc/64/23/36/411642336.db2.gz CWXPASMSDHTVKM-AWEZNQCLSA-N 2 2 247.386 2.922 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C[N@@H+]1C1CC1 ZINC000657665085 411577097 /nfs/dbraw/zinc/57/70/97/411577097.db2.gz DDIZERLBMXTINS-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)C[N@H+]1C1CC1 ZINC000657665085 411577098 /nfs/dbraw/zinc/57/70/98/411577098.db2.gz DDIZERLBMXTINS-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CC1CC=CC1 ZINC000660549113 411599138 /nfs/dbraw/zinc/59/91/38/411599138.db2.gz IKHOMYZWSOGUPA-DZGCQCFKSA-N 2 2 234.387 2.511 20 0 BFADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CC1CC=CC1 ZINC000660549113 411599139 /nfs/dbraw/zinc/59/91/39/411599139.db2.gz IKHOMYZWSOGUPA-DZGCQCFKSA-N 2 2 234.387 2.511 20 0 BFADLP CC1(C)CCCC[C@@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660583435 411603935 /nfs/dbraw/zinc/60/39/35/411603935.db2.gz JFEZWGYUEKRXAL-CYBMUJFWSA-N 2 2 247.386 2.915 20 0 BFADLP CC1(C)CCCC[C@@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000660583435 411603936 /nfs/dbraw/zinc/60/39/36/411603936.db2.gz JFEZWGYUEKRXAL-CYBMUJFWSA-N 2 2 247.386 2.915 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657820570 411606863 /nfs/dbraw/zinc/60/68/63/411606863.db2.gz MITAGCLPNVRVSC-GHMZBOCLSA-N 2 2 248.361 2.740 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657820570 411606864 /nfs/dbraw/zinc/60/68/64/411606864.db2.gz MITAGCLPNVRVSC-GHMZBOCLSA-N 2 2 248.361 2.740 20 0 BFADLP CC(C)c1cccc(C[NH2+]CC[NH+]2CCCC2)c1 ZINC000663313638 411622106 /nfs/dbraw/zinc/62/21/06/411622106.db2.gz LBUCLGDFGCNZOA-UHFFFAOYSA-N 2 2 246.398 2.995 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000663508026 411689855 /nfs/dbraw/zinc/68/98/55/411689855.db2.gz GUSPJVKAEPKOER-GFCCVEGCSA-N 2 2 246.354 2.747 20 0 BFADLP Cc1cc(OCc2ccc[nH+]c2N)c(C)c(C)[nH+]1 ZINC000664044803 411827452 /nfs/dbraw/zinc/82/74/52/411827452.db2.gz UUUKDWNUZYRQOP-UHFFFAOYSA-N 2 2 243.310 2.563 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000116386555 170857556 /nfs/dbraw/zinc/85/75/56/170857556.db2.gz LXPXRLOXHXYMTD-ZFWWWQNUSA-N 2 2 234.387 2.547 20 0 BFADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C(C)C ZINC000130644114 170897291 /nfs/dbraw/zinc/89/72/91/170897291.db2.gz KDLKRTMZOZDQRY-CQSZACIVSA-N 2 2 245.370 2.901 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000662233556 412032951 /nfs/dbraw/zinc/03/29/51/412032951.db2.gz GURYTDJCFRDQHS-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000662233556 412032954 /nfs/dbraw/zinc/03/29/54/412032954.db2.gz GURYTDJCFRDQHS-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCCC1CCC1 ZINC000662233185 412033143 /nfs/dbraw/zinc/03/31/43/412033143.db2.gz BJHASEDMQSACMA-GXTWGEPZSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCCC1CCC1 ZINC000662233185 412033146 /nfs/dbraw/zinc/03/31/46/412033146.db2.gz BJHASEDMQSACMA-GXTWGEPZSA-N 2 2 224.392 2.768 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[N@H+](C)CC ZINC000309723846 171032382 /nfs/dbraw/zinc/03/23/82/171032382.db2.gz XBVZZGUAUTYKCP-MCIONIFRSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC[N@@H+](C)CC ZINC000309723846 171032384 /nfs/dbraw/zinc/03/23/84/171032384.db2.gz XBVZZGUAUTYKCP-MCIONIFRSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000336725589 171041434 /nfs/dbraw/zinc/04/14/34/171041434.db2.gz FXDCEYSJVDBKIP-KGLIPLIRSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000336738043 171060064 /nfs/dbraw/zinc/06/00/64/171060064.db2.gz NZCZMSVJUWTIIX-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000336747749 171060085 /nfs/dbraw/zinc/06/00/85/171060085.db2.gz XOTYYNMYDDODPZ-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000354209715 171116118 /nfs/dbraw/zinc/11/61/18/171116118.db2.gz UOQYYBFURUZEHE-RRFJBIMHSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662275914 412068003 /nfs/dbraw/zinc/06/80/03/412068003.db2.gz FJYQXGJHODUYCI-WFASDCNBSA-N 2 2 246.398 2.906 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC000662275914 412068006 /nfs/dbraw/zinc/06/80/06/412068006.db2.gz FJYQXGJHODUYCI-WFASDCNBSA-N 2 2 246.398 2.906 20 0 BFADLP CCC(CC)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000662284425 412075667 /nfs/dbraw/zinc/07/56/67/412075667.db2.gz NEQZRIGUNVEGBM-UHFFFAOYSA-N 2 2 224.392 2.626 20 0 BFADLP CCC(CC)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000662284425 412075670 /nfs/dbraw/zinc/07/56/70/412075670.db2.gz NEQZRIGUNVEGBM-UHFFFAOYSA-N 2 2 224.392 2.626 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336681622 171280752 /nfs/dbraw/zinc/28/07/52/171280752.db2.gz RBWJWWMNCABCTK-NWDGAFQWSA-N 2 2 221.348 2.635 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000336681622 171280754 /nfs/dbraw/zinc/28/07/54/171280754.db2.gz RBWJWWMNCABCTK-NWDGAFQWSA-N 2 2 221.348 2.635 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020201833 171285156 /nfs/dbraw/zinc/28/51/56/171285156.db2.gz RCHOQAMTTHAUHZ-STQMWFEESA-N 2 2 214.397 2.598 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000041050909 171299215 /nfs/dbraw/zinc/29/92/15/171299215.db2.gz TVPFTJKNQMGRRS-STQMWFEESA-N 2 2 223.364 2.688 20 0 BFADLP CC[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162895063 171340056 /nfs/dbraw/zinc/34/00/56/171340056.db2.gz YFMOUFQLBHGYAJ-LBPRGKRZSA-N 2 2 221.348 2.662 20 0 BFADLP CC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000035038310 171343155 /nfs/dbraw/zinc/34/31/55/171343155.db2.gz ZKLWQRANEXYWQU-LBPRGKRZSA-N 2 2 229.327 2.760 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000309713546 171365105 /nfs/dbraw/zinc/36/51/05/171365105.db2.gz RTGPQGKXUWBZNN-UONOGXRCSA-N 2 2 224.392 2.663 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000309713546 171365107 /nfs/dbraw/zinc/36/51/07/171365107.db2.gz RTGPQGKXUWBZNN-UONOGXRCSA-N 2 2 224.392 2.663 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163789803 171389055 /nfs/dbraw/zinc/38/90/55/171389055.db2.gz FDBPHCUWVISRGR-STQMWFEESA-N 2 2 235.375 2.908 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)o1 ZINC000665250163 412197141 /nfs/dbraw/zinc/19/71/41/412197141.db2.gz JESWSLKMTGOKNK-NSHDSACASA-N 2 2 222.332 2.510 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1C ZINC000665276754 412219710 /nfs/dbraw/zinc/21/97/10/412219710.db2.gz LUNHVCXCZLBXKQ-VQCLRJIVSA-N 2 2 244.382 2.706 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665294687 412234515 /nfs/dbraw/zinc/23/45/15/412234515.db2.gz UIBIJMMPOVKBEF-VXGBXAGGSA-N 2 2 220.360 2.508 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000665294246 412238861 /nfs/dbraw/zinc/23/88/61/412238861.db2.gz LAGBAOGRHWWCJE-STQMWFEESA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000665294352 412239253 /nfs/dbraw/zinc/23/92/53/412239253.db2.gz MXXAGHONUROIRN-CMPLNLGQSA-N 2 2 246.354 3.000 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000665294353 412239563 /nfs/dbraw/zinc/23/95/63/412239563.db2.gz MXXAGHONUROIRN-JQWIXIFHSA-N 2 2 246.354 3.000 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000665294244 412239643 /nfs/dbraw/zinc/23/96/43/412239643.db2.gz LAGBAOGRHWWCJE-OLZOCXBDSA-N 2 2 220.360 2.562 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665294685 412241350 /nfs/dbraw/zinc/24/13/50/412241350.db2.gz UIBIJMMPOVKBEF-NWDGAFQWSA-N 2 2 220.360 2.508 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc(Cl)c1 ZINC000665294506 412241428 /nfs/dbraw/zinc/24/14/28/412241428.db2.gz QBEJMJRJMLDNEF-GWCFXTLKSA-N 2 2 240.778 2.989 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000665297858 412243885 /nfs/dbraw/zinc/24/38/85/412243885.db2.gz NCAHDCRIJOQXCO-NWDGAFQWSA-N 2 2 232.371 2.823 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000665297911 412245180 /nfs/dbraw/zinc/24/51/80/412245180.db2.gz OBVXGGIXZGLUSC-DZGCQCFKSA-N 2 2 246.398 2.878 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000665298345 412246583 /nfs/dbraw/zinc/24/65/83/412246583.db2.gz VFFRFTCBXCCORA-JFGNBEQYSA-N 2 2 238.400 2.884 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000133019566 412391134 /nfs/dbraw/zinc/39/11/34/412391134.db2.gz OICDXNZFSCJGJN-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1C1CC1 ZINC000133019566 412391136 /nfs/dbraw/zinc/39/11/36/412391136.db2.gz OICDXNZFSCJGJN-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP CCc1[nH+]ccn1Cc1[nH+]cc(C)c(OC)c1C ZINC000108658042 172027667 /nfs/dbraw/zinc/02/76/67/172027667.db2.gz LCUSHBHMBYZEPN-UHFFFAOYSA-N 2 2 245.326 2.514 20 0 BFADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](C)(F)C1 ZINC000336268850 173005237 /nfs/dbraw/zinc/00/52/37/173005237.db2.gz RNSAARVTLLUOBX-ZIAGYGMSSA-N 2 2 242.382 2.685 20 0 BFADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](C)(F)C1 ZINC000336268850 173005238 /nfs/dbraw/zinc/00/52/38/173005238.db2.gz RNSAARVTLLUOBX-ZIAGYGMSSA-N 2 2 242.382 2.685 20 0 BFADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336268850 173005241 /nfs/dbraw/zinc/00/52/41/173005241.db2.gz RNSAARVTLLUOBX-ZIAGYGMSSA-N 2 2 242.382 2.685 20 0 BFADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@](C)(F)C1 ZINC000336268850 173005243 /nfs/dbraw/zinc/00/52/43/173005243.db2.gz RNSAARVTLLUOBX-ZIAGYGMSSA-N 2 2 242.382 2.685 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1coc2ccccc12 ZINC000121125957 173055492 /nfs/dbraw/zinc/05/54/92/173055492.db2.gz CZPXKPACNKZOHG-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1coc2ccccc12 ZINC000121125957 173055494 /nfs/dbraw/zinc/05/54/94/173055494.db2.gz CZPXKPACNKZOHG-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP C[C@@H](c1cccnc1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245588986 176029625 /nfs/dbraw/zinc/02/96/25/176029625.db2.gz FPKPZKANMQRHPE-DZGCQCFKSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1cccnc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245588986 176029627 /nfs/dbraw/zinc/02/96/27/176029627.db2.gz FPKPZKANMQRHPE-DZGCQCFKSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1cccnc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245588986 176029628 /nfs/dbraw/zinc/02/96/28/176029628.db2.gz FPKPZKANMQRHPE-DZGCQCFKSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1cccnc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245588986 176029630 /nfs/dbraw/zinc/02/96/30/176029630.db2.gz FPKPZKANMQRHPE-DZGCQCFKSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000300413211 176051766 /nfs/dbraw/zinc/05/17/66/176051766.db2.gz ZFLISJVTLMQLPK-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000300413211 176051767 /nfs/dbraw/zinc/05/17/67/176051767.db2.gz ZFLISJVTLMQLPK-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+]CCCn1cc[nH+]c1 ZINC000042861035 176084925 /nfs/dbraw/zinc/08/49/25/176084925.db2.gz DTPIPOYCHZDZTQ-KGLIPLIRSA-N 2 2 235.375 2.689 20 0 BFADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000300306541 176128707 /nfs/dbraw/zinc/12/87/07/176128707.db2.gz HHRPAQXNCPWKQC-SYQHCUMBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000300306541 176128709 /nfs/dbraw/zinc/12/87/09/176128709.db2.gz HHRPAQXNCPWKQC-SYQHCUMBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000336495372 176137840 /nfs/dbraw/zinc/13/78/40/176137840.db2.gz WCYGDSWUZKCPJA-OLZOCXBDSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@@H]1CCC[C@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000336495372 176137842 /nfs/dbraw/zinc/13/78/42/176137842.db2.gz WCYGDSWUZKCPJA-OLZOCXBDSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C ZINC000353594393 176144802 /nfs/dbraw/zinc/14/48/02/176144802.db2.gz GJSAHWHRNXSSBQ-LPWJVIDDSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C ZINC000353594393 176144804 /nfs/dbraw/zinc/14/48/04/176144804.db2.gz GJSAHWHRNXSSBQ-LPWJVIDDSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000341455560 176147992 /nfs/dbraw/zinc/14/79/92/176147992.db2.gz CCEYZTQGGDYGAS-OLZOCXBDSA-N 2 2 243.354 2.860 20 0 BFADLP C[C@@H]1CC[NH2+]CC[N@@H+]1Cc1ccccc1Cl ZINC000062619242 176185127 /nfs/dbraw/zinc/18/51/27/176185127.db2.gz GJWYPJSLPMCSCG-LLVKDONJSA-N 2 2 238.762 2.524 20 0 BFADLP C[C@@H]1CC[NH2+]CC[N@H+]1Cc1ccccc1Cl ZINC000062619242 176185129 /nfs/dbraw/zinc/18/51/29/176185129.db2.gz GJWYPJSLPMCSCG-LLVKDONJSA-N 2 2 238.762 2.524 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000133122310 176233474 /nfs/dbraw/zinc/23/34/74/176233474.db2.gz ZCICIHDOBURUPK-IVMMDQJWSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)C1 ZINC000353594951 176234489 /nfs/dbraw/zinc/23/44/89/176234489.db2.gz IORGISIFUHAIKT-LPWJVIDDSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C1 ZINC000353594951 176234491 /nfs/dbraw/zinc/23/44/91/176234491.db2.gz IORGISIFUHAIKT-LPWJVIDDSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000309774681 176273080 /nfs/dbraw/zinc/27/30/80/176273080.db2.gz LJTPIOMOCIJUEF-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000309774681 176273083 /nfs/dbraw/zinc/27/30/83/176273083.db2.gz LJTPIOMOCIJUEF-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337381258 176282368 /nfs/dbraw/zinc/28/23/68/176282368.db2.gz JFAPLOKTOMMAFD-DEDQRHPVSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337381258 176282370 /nfs/dbraw/zinc/28/23/70/176282370.db2.gz JFAPLOKTOMMAFD-DEDQRHPVSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235359373 176316860 /nfs/dbraw/zinc/31/68/60/176316860.db2.gz LCFCWYJPOBRNJQ-BREBYQMCSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235359373 176316861 /nfs/dbraw/zinc/31/68/61/176316861.db2.gz LCFCWYJPOBRNJQ-BREBYQMCSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438789 177083295 /nfs/dbraw/zinc/08/32/95/177083295.db2.gz PGBZYRRMBKPBFQ-JSGCOSHPSA-N 2 2 247.386 2.888 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674863871 487637011 /nfs/dbraw/zinc/63/70/11/487637011.db2.gz RMKHBRFIPGMWCP-OLZOCXBDSA-N 2 2 221.348 2.566 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000674863871 487637015 /nfs/dbraw/zinc/63/70/15/487637015.db2.gz RMKHBRFIPGMWCP-OLZOCXBDSA-N 2 2 221.348 2.566 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CCCC1 ZINC000037482407 177117870 /nfs/dbraw/zinc/11/78/70/177117870.db2.gz NXNPRJZHVNRBRY-BETUJISGSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CCCC1 ZINC000037482407 177117871 /nfs/dbraw/zinc/11/78/71/177117871.db2.gz NXNPRJZHVNRBRY-BETUJISGSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353627506 177118506 /nfs/dbraw/zinc/11/85/06/177118506.db2.gz WJTKVGSDSMWREU-OZTPJHRESA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353627506 177118508 /nfs/dbraw/zinc/11/85/08/177118508.db2.gz WJTKVGSDSMWREU-OZTPJHRESA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H]1CCC[C@@H](C[NH2+]C2(C[NH+](C)C)CCC2)C1 ZINC000337268370 177119783 /nfs/dbraw/zinc/11/97/83/177119783.db2.gz XNPJJYHJGMPOFV-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000042254561 177122990 /nfs/dbraw/zinc/12/29/90/177122990.db2.gz OPKIORMBEHQLPA-UONOGXRCSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000062619239 177174191 /nfs/dbraw/zinc/17/41/91/177174191.db2.gz AMQDDVDFUNYFGA-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1ccc(Cl)cc1 ZINC000062619239 177174192 /nfs/dbraw/zinc/17/41/92/177174192.db2.gz AMQDDVDFUNYFGA-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000162084141 177255424 /nfs/dbraw/zinc/25/54/24/177255424.db2.gz GJQDNNQULIONEE-ZFWWWQNUSA-N 2 2 241.338 2.576 20 0 BFADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000162084141 177255425 /nfs/dbraw/zinc/25/54/25/177255425.db2.gz GJQDNNQULIONEE-ZFWWWQNUSA-N 2 2 241.338 2.576 20 0 BFADLP C[C@H]1C[N@H+](Cc2csc3ccccc23)C[C@@H]1[NH3+] ZINC000235719266 177270769 /nfs/dbraw/zinc/27/07/69/177270769.db2.gz JYKRUONSURZMHI-GWCFXTLKSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@H]1C[N@@H+](Cc2csc3ccccc23)C[C@@H]1[NH3+] ZINC000235719266 177270770 /nfs/dbraw/zinc/27/07/70/177270770.db2.gz JYKRUONSURZMHI-GWCFXTLKSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[N@H+](C)C1CC1 ZINC000300408827 177318327 /nfs/dbraw/zinc/31/83/27/177318327.db2.gz BGEFWDKQYAAKIH-RQJABVFESA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000300408827 177318328 /nfs/dbraw/zinc/31/83/28/177318328.db2.gz BGEFWDKQYAAKIH-RQJABVFESA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1C[C@@H]([NH+]2CCCC2)C[N@@H+]1CCC(C)(C)C ZINC000375781998 177326928 /nfs/dbraw/zinc/32/69/28/177326928.db2.gz DDSNKPGNFIERRA-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H]1C[C@@H]([NH+]2CCCC2)C[N@H+]1CCC(C)(C)C ZINC000375781998 177326929 /nfs/dbraw/zinc/32/69/29/177326929.db2.gz DDSNKPGNFIERRA-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000089553385 177335193 /nfs/dbraw/zinc/33/51/93/177335193.db2.gz JNOMWVFFYLZPTP-GZBFAFLISA-N 2 2 244.382 2.962 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000089553385 177335195 /nfs/dbraw/zinc/33/51/95/177335195.db2.gz JNOMWVFFYLZPTP-GZBFAFLISA-N 2 2 244.382 2.962 20 0 BFADLP C[C@H]1C[C@H]([N@H+](C)[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000104362783 177365371 /nfs/dbraw/zinc/36/53/71/177365371.db2.gz LPSZPZAEEJFWFG-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[C@H]([N@@H+](C)[C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000104362783 177365372 /nfs/dbraw/zinc/36/53/72/177365372.db2.gz LPSZPZAEEJFWFG-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)c2ccccc21 ZINC000336792670 177369469 /nfs/dbraw/zinc/36/94/69/177369469.db2.gz SYRZPGJQXCFZHX-BBRMVZONSA-N 2 2 244.382 2.920 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000328281851 487642151 /nfs/dbraw/zinc/64/21/51/487642151.db2.gz SAOVXTUNMBBTNL-HNNXBMFYSA-N 2 2 246.398 2.648 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000328281851 487642147 /nfs/dbraw/zinc/64/21/47/487642147.db2.gz SAOVXTUNMBBTNL-HNNXBMFYSA-N 2 2 246.398 2.648 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)[C@H]1CC1(C)C ZINC000486967597 225276579 /nfs/dbraw/zinc/27/65/79/225276579.db2.gz IBDPUHJGEKNIOO-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)[C@H]1CC1(C)C ZINC000486967597 225276584 /nfs/dbraw/zinc/27/65/84/225276584.db2.gz IBDPUHJGEKNIOO-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000328292058 487644922 /nfs/dbraw/zinc/64/49/22/487644922.db2.gz VBHWKFAXCNCWHS-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000328292058 487644925 /nfs/dbraw/zinc/64/49/25/487644925.db2.gz VBHWKFAXCNCWHS-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400347578 226341344 /nfs/dbraw/zinc/34/13/44/226341344.db2.gz AKYPURBDSGCVTO-VNHYZAJKSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000162950376 487674050 /nfs/dbraw/zinc/67/40/50/487674050.db2.gz HTCMEOGOAAVRAG-JSGCOSHPSA-N 2 2 234.387 2.958 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1CC12CC2 ZINC000418106465 487684008 /nfs/dbraw/zinc/68/40/08/487684008.db2.gz ZTBHEWTXWLGTJE-AWEZNQCLSA-N 2 2 230.355 2.712 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000674878249 487687645 /nfs/dbraw/zinc/68/76/45/487687645.db2.gz FFJVIIADPHHHIC-ZBFHGGJFSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCc1ccccc1 ZINC000674878249 487687649 /nfs/dbraw/zinc/68/76/49/487687649.db2.gz FFJVIIADPHHHIC-ZBFHGGJFSA-N 2 2 246.398 2.549 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000328443274 487687937 /nfs/dbraw/zinc/68/79/37/487687937.db2.gz BECRUEDFXBLNIU-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000328443274 487687939 /nfs/dbraw/zinc/68/79/39/487687939.db2.gz BECRUEDFXBLNIU-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001256361218 970763126 /nfs/dbraw/zinc/76/31/26/970763126.db2.gz PEUQQXLXADDBOL-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397828430 262936194 /nfs/dbraw/zinc/93/61/94/262936194.db2.gz BTSIWQLUXQWZGJ-CYBMUJFWSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001256361218 970763134 /nfs/dbraw/zinc/76/31/34/970763134.db2.gz PEUQQXLXADDBOL-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000076617378 487744003 /nfs/dbraw/zinc/74/40/03/487744003.db2.gz ZCDVUTFIFMJRBM-UHFFFAOYSA-N 2 2 234.387 2.765 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000076617378 487744007 /nfs/dbraw/zinc/74/40/07/487744007.db2.gz ZCDVUTFIFMJRBM-UHFFFAOYSA-N 2 2 234.387 2.765 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000668431949 487745298 /nfs/dbraw/zinc/74/52/98/487745298.db2.gz HZHSTOWOYMKALX-CYBMUJFWSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000668431949 487745300 /nfs/dbraw/zinc/74/53/00/487745300.db2.gz HZHSTOWOYMKALX-CYBMUJFWSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000233900309 487751544 /nfs/dbraw/zinc/75/15/44/487751544.db2.gz QJUKEWLARRSNSS-LSDHHAIUSA-N 2 2 232.371 2.869 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000675767910 487775392 /nfs/dbraw/zinc/77/53/92/487775392.db2.gz UXOUCHPTPPPPHE-IJEWVQPXSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@@H](C)c1ccccc1 ZINC000675767910 487775394 /nfs/dbraw/zinc/77/53/94/487775394.db2.gz UXOUCHPTPPPPHE-IJEWVQPXSA-N 2 2 246.398 2.862 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000675801484 487780334 /nfs/dbraw/zinc/78/03/34/487780334.db2.gz JMVLKCSOABKKEJ-AEGPPILISA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000675801484 487780337 /nfs/dbraw/zinc/78/03/37/487780337.db2.gz JMVLKCSOABKKEJ-AEGPPILISA-N 2 2 238.419 2.885 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668458622 487782304 /nfs/dbraw/zinc/78/23/04/487782304.db2.gz GVYNBWWUONSFAQ-KBPBESRZSA-N 2 2 236.403 2.948 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668458622 487782306 /nfs/dbraw/zinc/78/23/06/487782306.db2.gz GVYNBWWUONSFAQ-KBPBESRZSA-N 2 2 236.403 2.948 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675834205 487783787 /nfs/dbraw/zinc/78/37/87/487783787.db2.gz SHUXLBPQYQFMIZ-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675834205 487783792 /nfs/dbraw/zinc/78/37/92/487783792.db2.gz SHUXLBPQYQFMIZ-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000681366408 487785957 /nfs/dbraw/zinc/78/59/57/487785957.db2.gz UWOVAOGQWRBJNW-ZNMIVQPWSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000681366408 487785960 /nfs/dbraw/zinc/78/59/60/487785960.db2.gz UWOVAOGQWRBJNW-ZNMIVQPWSA-N 2 2 236.403 2.663 20 0 BFADLP C[C@@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000359375495 487787031 /nfs/dbraw/zinc/78/70/31/487787031.db2.gz FKVRMAMADWHCHX-CJNGLKHVSA-N 2 2 246.398 2.547 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000251827024 487800993 /nfs/dbraw/zinc/80/09/93/487800993.db2.gz PRHNULXIQWJHPH-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000385851616 487810010 /nfs/dbraw/zinc/81/00/10/487810010.db2.gz VEYPGNBWTLJTBV-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000385851616 487810014 /nfs/dbraw/zinc/81/00/14/487810014.db2.gz VEYPGNBWTLJTBV-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP CC(C)C(C[NH2+]C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000304361544 527587688 /nfs/dbraw/zinc/58/76/88/527587688.db2.gz IBKHATWBTLTBGT-ZDUSSCGKSA-N 2 2 226.408 2.598 20 0 BFADLP CC(C)C(C[NH2+]C[C@@H]1CCC[N@H+]1C)C(C)C ZINC000304361544 527587693 /nfs/dbraw/zinc/58/76/93/527587693.db2.gz IBKHATWBTLTBGT-ZDUSSCGKSA-N 2 2 226.408 2.598 20 0 BFADLP CC[C@H](CCC(F)(F)F)[NH2+]C[C@@H](C)[NH+](C)C ZINC000872034183 589858287 /nfs/dbraw/zinc/85/82/87/589858287.db2.gz MGJVHIXINYNSOJ-NXEZZACHSA-N 2 2 240.313 2.647 20 0 BFADLP C[C@@H](CC1CCC1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000666787319 487879685 /nfs/dbraw/zinc/87/96/85/487879685.db2.gz GGCRVPUKCNGENI-WFASDCNBSA-N 2 2 232.371 2.855 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000666787315 487879735 /nfs/dbraw/zinc/87/97/35/487879735.db2.gz GGCRVPUKCNGENI-DOMZBBRYSA-N 2 2 232.371 2.855 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000669846727 487880304 /nfs/dbraw/zinc/88/03/04/487880304.db2.gz PPGOPAVGTOULNR-MELADBBJSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCCF)C1 ZINC000669846727 487880309 /nfs/dbraw/zinc/88/03/09/487880309.db2.gz PPGOPAVGTOULNR-MELADBBJSA-N 2 2 242.382 2.589 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072309 487894694 /nfs/dbraw/zinc/89/46/94/487894694.db2.gz IIKDAJGVBDJSBX-KBPBESRZSA-N 2 2 235.375 2.955 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072309 487894699 /nfs/dbraw/zinc/89/46/99/487894699.db2.gz IIKDAJGVBDJSBX-KBPBESRZSA-N 2 2 235.375 2.955 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC000666877239 487896002 /nfs/dbraw/zinc/89/60/02/487896002.db2.gz MQFHQYMBHONDKU-GFCCVEGCSA-N 2 2 232.371 2.652 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]Cc2cscc2Cl)CC[NH2+]1 ZINC000666873266 487896058 /nfs/dbraw/zinc/89/60/58/487896058.db2.gz RKOFIOHPGYJRHT-PSASIEDQSA-N 2 2 244.791 2.632 20 0 BFADLP C[N@@H+](Cc1ccccc1C1CC1)CC1C[NH+](C)C1 ZINC000668539935 487904574 /nfs/dbraw/zinc/90/45/74/487904574.db2.gz QLJCGHZLXUQMBS-UHFFFAOYSA-N 2 2 244.382 2.557 20 0 BFADLP C[N@H+](Cc1ccccc1C1CC1)CC1C[NH+](C)C1 ZINC000668539935 487904585 /nfs/dbraw/zinc/90/45/85/487904585.db2.gz QLJCGHZLXUQMBS-UHFFFAOYSA-N 2 2 244.382 2.557 20 0 BFADLP C/C(=C\c1ccccc1)C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539676 487905580 /nfs/dbraw/zinc/90/55/80/487905580.db2.gz HXJZGSDNJMQRJT-NTEUORMPSA-N 2 2 244.382 2.583 20 0 BFADLP C/C(=C\c1ccccc1)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539676 487905586 /nfs/dbraw/zinc/90/55/86/487905586.db2.gz HXJZGSDNJMQRJT-NTEUORMPSA-N 2 2 244.382 2.583 20 0 BFADLP C[C@H](CCC1CCCC1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947817 487912233 /nfs/dbraw/zinc/91/22/33/487912233.db2.gz JKFQGAXYARLIEJ-XBFCOCLRSA-N 2 2 242.382 2.635 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947849 487912566 /nfs/dbraw/zinc/91/25/66/487912566.db2.gz KMXFIFRXZOLYAA-CRWXNKLISA-N 2 2 244.398 2.737 20 0 BFADLP CC(C)CCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682154181 487915885 /nfs/dbraw/zinc/91/58/85/487915885.db2.gz YNYMCDNKBDMPNL-CQSZACIVSA-N 2 2 235.375 2.956 20 0 BFADLP CC(C)CCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000682154181 487915887 /nfs/dbraw/zinc/91/58/87/487915887.db2.gz YNYMCDNKBDMPNL-CQSZACIVSA-N 2 2 235.375 2.956 20 0 BFADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1cscc1Cl ZINC000666981159 487920798 /nfs/dbraw/zinc/92/07/98/487920798.db2.gz OEZNVLSKFVHJGQ-SNVBAGLBSA-N 2 2 246.807 2.865 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000663315685 487927711 /nfs/dbraw/zinc/92/77/11/487927711.db2.gz MHGJLOMYCBKXBK-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000663315685 487927721 /nfs/dbraw/zinc/92/77/21/487927721.db2.gz MHGJLOMYCBKXBK-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000235223425 487936587 /nfs/dbraw/zinc/93/65/87/487936587.db2.gz HJBCVYBRBFWRBO-HIFRSBDPSA-N 2 2 232.371 2.788 20 0 BFADLP CC(C)(C)CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000049254472 487944955 /nfs/dbraw/zinc/94/49/55/487944955.db2.gz FOIWVRPAQOQNJS-UHFFFAOYSA-N 2 2 234.387 2.884 20 0 BFADLP CC(C)(C)CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000049254472 487944956 /nfs/dbraw/zinc/94/49/56/487944956.db2.gz FOIWVRPAQOQNJS-UHFFFAOYSA-N 2 2 234.387 2.884 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC1(C)C ZINC000564472533 322975929 /nfs/dbraw/zinc/97/59/29/322975929.db2.gz YGTKVYNYJJPRJI-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151342606 323015668 /nfs/dbraw/zinc/01/56/68/323015668.db2.gz FIIYYPOGTJRKBD-ZDUSSCGKSA-N 2 2 243.354 2.820 20 0 BFADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000562519767 323022657 /nfs/dbraw/zinc/02/26/57/323022657.db2.gz KOXBBAARDAHDOI-MJBXVCDLSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000562519767 323022658 /nfs/dbraw/zinc/02/26/58/323022658.db2.gz KOXBBAARDAHDOI-MJBXVCDLSA-N 2 2 236.403 2.639 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000562563409 323024290 /nfs/dbraw/zinc/02/42/90/323024290.db2.gz DJSSHFXILKGFKG-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000562564759 323024664 /nfs/dbraw/zinc/02/46/64/323024664.db2.gz VJRBLMVYBHSQKR-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000562564759 323024665 /nfs/dbraw/zinc/02/46/65/323024665.db2.gz VJRBLMVYBHSQKR-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccsc1Cl ZINC000312584262 323036193 /nfs/dbraw/zinc/03/61/93/323036193.db2.gz ZLKFDPJQJFICGR-WPRPVWTQSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccsc1Cl ZINC000312584262 323036194 /nfs/dbraw/zinc/03/61/94/323036194.db2.gz ZLKFDPJQJFICGR-WPRPVWTQSA-N 2 2 244.791 2.713 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510681 323047132 /nfs/dbraw/zinc/04/71/32/323047132.db2.gz XSEAGMYVFMNBKY-ZNMIVQPWSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2c[nH+]cn2C)[C@@H]2CCCC[C@H]12 ZINC000531438111 323089569 /nfs/dbraw/zinc/08/95/69/323089569.db2.gz ASANMECKTVEPRU-BPLDGKMQSA-N 2 2 247.386 2.821 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]cn2C)[C@@H]2CCCC[C@H]12 ZINC000531438111 323089570 /nfs/dbraw/zinc/08/95/70/323089570.db2.gz ASANMECKTVEPRU-BPLDGKMQSA-N 2 2 247.386 2.821 20 0 BFADLP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])[C@H]2CCCC[C@H]12 ZINC000563137732 323094832 /nfs/dbraw/zinc/09/48/32/323094832.db2.gz MAOWWJLEXYEMAA-UPJWGTAASA-N 2 2 224.392 2.624 20 0 BFADLP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@H]2CCCC[C@H]12 ZINC000563137732 323094833 /nfs/dbraw/zinc/09/48/33/323094833.db2.gz MAOWWJLEXYEMAA-UPJWGTAASA-N 2 2 224.392 2.624 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@@H]1CC1(C)C ZINC000397832114 323097626 /nfs/dbraw/zinc/09/76/26/323097626.db2.gz NKGLUCVRWFGBIS-KBPBESRZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000403267909 323132799 /nfs/dbraw/zinc/13/27/99/323132799.db2.gz ZVQOZGLXTJXZIH-ZSAUSMIDSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C[N@H+]1C1CC1 ZINC000403267909 323132800 /nfs/dbraw/zinc/13/28/00/323132800.db2.gz ZVQOZGLXTJXZIH-ZSAUSMIDSA-N 2 2 248.414 2.637 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000563642661 323133465 /nfs/dbraw/zinc/13/34/65/323133465.db2.gz YASPRGODFADZAE-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000563642661 323133466 /nfs/dbraw/zinc/13/34/66/323133466.db2.gz YASPRGODFADZAE-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000531984509 323163773 /nfs/dbraw/zinc/16/37/73/323163773.db2.gz HFJDPBSSDYNXSZ-ZIAGYGMSSA-N 2 2 232.371 2.679 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000531984509 323163774 /nfs/dbraw/zinc/16/37/74/323163774.db2.gz HFJDPBSSDYNXSZ-ZIAGYGMSSA-N 2 2 232.371 2.679 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000532231338 323210444 /nfs/dbraw/zinc/21/04/44/323210444.db2.gz OWBPGGYQZGJFPL-DZKIICNBSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000532231338 323210445 /nfs/dbraw/zinc/21/04/45/323210445.db2.gz OWBPGGYQZGJFPL-DZKIICNBSA-N 2 2 246.398 2.904 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000532249649 323212188 /nfs/dbraw/zinc/21/21/88/323212188.db2.gz XMZDDIBLFRJMQK-HOSILWTGSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000532249649 323212189 /nfs/dbraw/zinc/21/21/89/323212189.db2.gz XMZDDIBLFRJMQK-HOSILWTGSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000530219383 323218013 /nfs/dbraw/zinc/21/80/13/323218013.db2.gz LLKYGHIWYIQTKU-JQWIXIFHSA-N 2 2 236.384 2.683 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530222864 323218446 /nfs/dbraw/zinc/21/84/46/323218446.db2.gz SADNEAOGVXGTKR-GXTWGEPZSA-N 2 2 230.355 2.622 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000532532138 323273880 /nfs/dbraw/zinc/27/38/80/323273880.db2.gz BVMJRWPRYSVOPZ-XJKSGUPXSA-N 2 2 244.382 2.605 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000532532138 323273881 /nfs/dbraw/zinc/27/38/81/323273881.db2.gz BVMJRWPRYSVOPZ-XJKSGUPXSA-N 2 2 244.382 2.605 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000532532163 323274067 /nfs/dbraw/zinc/27/40/67/323274067.db2.gz HCGGQPDZWOWCGJ-KBXIAJHMSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000532532163 323274070 /nfs/dbraw/zinc/27/40/70/323274070.db2.gz HCGGQPDZWOWCGJ-KBXIAJHMSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000532531099 323274199 /nfs/dbraw/zinc/27/41/99/323274199.db2.gz LUNUDTNSUZWHEV-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000532531099 323274201 /nfs/dbraw/zinc/27/42/01/323274201.db2.gz LUNUDTNSUZWHEV-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)n1C ZINC000572135845 323550112 /nfs/dbraw/zinc/55/01/12/323550112.db2.gz NUROJLJYIJRCFI-QWRGUYRKSA-N 2 2 235.375 2.643 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)[C@@H]1CC12CC2 ZINC000527850449 323706937 /nfs/dbraw/zinc/70/69/37/323706937.db2.gz SJIGUPPFXULIAW-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000537296472 324062853 /nfs/dbraw/zinc/06/28/53/324062853.db2.gz UFCXNVCXFDOZFY-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000537296472 324062856 /nfs/dbraw/zinc/06/28/56/324062856.db2.gz UFCXNVCXFDOZFY-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000537361159 324066546 /nfs/dbraw/zinc/06/65/46/324066546.db2.gz PEPMOKGMSOTKFP-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CCCCCC1 ZINC000537361159 324066542 /nfs/dbraw/zinc/06/65/42/324066542.db2.gz PEPMOKGMSOTKFP-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCCCC1 ZINC000037220381 324439561 /nfs/dbraw/zinc/43/95/61/324439561.db2.gz WPSOMZXXTFUVSE-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000530178070 324509850 /nfs/dbraw/zinc/50/98/50/324509850.db2.gz OAAQUIKWZRXPJL-OAHLLOKOSA-N 2 2 244.382 2.678 20 0 BFADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530214865 324530027 /nfs/dbraw/zinc/53/00/27/324530027.db2.gz DGRAIFKTHGPFFN-JSGCOSHPSA-N 2 2 246.354 2.531 20 0 BFADLP c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530217992 324534773 /nfs/dbraw/zinc/53/47/73/324534773.db2.gz HYTPNOAVWYJPTM-GJZGRUSLSA-N 2 2 242.366 2.548 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1 ZINC000530217769 324535010 /nfs/dbraw/zinc/53/50/10/324535010.db2.gz HMJUAEMUDXCVLT-RISCZKNCSA-N 2 2 248.345 2.761 20 0 BFADLP CC1CCC([N@H+](CCn2cc[nH+]c2)C2CC2)CC1 ZINC000131182137 325123704 /nfs/dbraw/zinc/12/37/04/325123704.db2.gz UYIUAFGVQXTJQR-UHFFFAOYSA-N 2 2 247.386 2.926 20 0 BFADLP CC1CCC([N@@H+](CCn2cc[nH+]c2)C2CC2)CC1 ZINC000131182137 325123709 /nfs/dbraw/zinc/12/37/09/325123709.db2.gz UYIUAFGVQXTJQR-UHFFFAOYSA-N 2 2 247.386 2.926 20 0 BFADLP CC[N@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000134110556 325343926 /nfs/dbraw/zinc/34/39/26/325343926.db2.gz GMCNDHYALXIJLC-KGLIPLIRSA-N 2 2 224.392 2.520 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000134110556 325343928 /nfs/dbraw/zinc/34/39/28/325343928.db2.gz GMCNDHYALXIJLC-KGLIPLIRSA-N 2 2 224.392 2.520 20 0 BFADLP c1ccc(NCCC[NH2+][C@H]2CCC[C@H]3C[C@H]32)[nH+]c1 ZINC000548884893 325491661 /nfs/dbraw/zinc/49/16/61/325491661.db2.gz CUPREFHLPPOQLH-MJBXVCDLSA-N 2 2 245.370 2.662 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000567259656 326152487 /nfs/dbraw/zinc/15/24/87/326152487.db2.gz NEOOTLIWLIUOFF-CABCVRRESA-N 2 2 232.371 2.711 20 0 BFADLP Cc1ccc([C@H](C[NH2+]CC2(C)CC2)[NH+](C)C)cc1 ZINC000568581479 326365565 /nfs/dbraw/zinc/36/55/65/326365565.db2.gz JIQAYDWTWDBAGL-HNNXBMFYSA-N 2 2 246.398 2.987 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CC=C(C)CC2)CC1 ZINC000569245817 326397586 /nfs/dbraw/zinc/39/75/86/326397586.db2.gz WSMXXQIWYASYOY-HNNXBMFYSA-N 2 2 234.387 2.727 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CC=C(C)CC2)CC1 ZINC000569245817 326397588 /nfs/dbraw/zinc/39/75/88/326397588.db2.gz WSMXXQIWYASYOY-HNNXBMFYSA-N 2 2 234.387 2.727 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)o1 ZINC000235523782 487976690 /nfs/dbraw/zinc/97/66/90/487976690.db2.gz BQRULQIXLADHFC-AAEUAGOBSA-N 2 2 236.359 2.689 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000235524041 487976794 /nfs/dbraw/zinc/97/67/94/487976794.db2.gz AVAOEGNVFDLJBL-FZMZJTMJSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1F ZINC000235524297 487977280 /nfs/dbraw/zinc/97/72/80/487977280.db2.gz XEJYNXYGKZZNRG-RYUDHWBXSA-N 2 2 236.334 2.618 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)s1 ZINC000396637552 487992456 /nfs/dbraw/zinc/99/24/56/487992456.db2.gz LSEQQRUJMUCOEC-GXFFZTMASA-N 2 2 238.400 2.541 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000310128061 488018158 /nfs/dbraw/zinc/01/81/58/488018158.db2.gz XSEAGMYVFMNBKY-QLFBSQMISA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1C[C@@H]1C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000488313266 533715894 /nfs/dbraw/zinc/71/58/94/533715894.db2.gz LOJMZCATVCCDSF-RBSFLKMASA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+](Cc1cccs1)Cc1c[nH+]c2n1CCC2 ZINC000667475607 488019993 /nfs/dbraw/zinc/01/99/93/488019993.db2.gz WVKVMHYLAVCYKZ-UHFFFAOYSA-N 2 2 247.367 2.523 20 0 BFADLP C[N@@H+](Cc1cccs1)Cc1c[nH+]c2n1CCC2 ZINC000667475607 488019996 /nfs/dbraw/zinc/01/99/96/488019996.db2.gz WVKVMHYLAVCYKZ-UHFFFAOYSA-N 2 2 247.367 2.523 20 0 BFADLP C[C@@H]1C[C@@H]1C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000488313266 533715911 /nfs/dbraw/zinc/71/59/11/533715911.db2.gz LOJMZCATVCCDSF-RBSFLKMASA-N 2 2 236.403 2.593 20 0 BFADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H]3CCC[C@H]31)CCC2 ZINC000667555991 488045184 /nfs/dbraw/zinc/04/51/84/488045184.db2.gz VLRJGKFDLCEJHZ-GXTWGEPZSA-N 2 2 245.370 2.594 20 0 BFADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H]3CCC[C@H]31)CCC2 ZINC000667555991 488045188 /nfs/dbraw/zinc/04/51/88/488045188.db2.gz VLRJGKFDLCEJHZ-GXTWGEPZSA-N 2 2 245.370 2.594 20 0 BFADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H]1C1CCC1)CCC2 ZINC000667569491 488050396 /nfs/dbraw/zinc/05/03/96/488050396.db2.gz LLIPBYNAXIZBEN-AWEZNQCLSA-N 2 2 245.370 2.594 20 0 BFADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H]1C1CCC1)CCC2 ZINC000667569491 488050401 /nfs/dbraw/zinc/05/04/01/488050401.db2.gz LLIPBYNAXIZBEN-AWEZNQCLSA-N 2 2 245.370 2.594 20 0 BFADLP C[C@@H]1C[C@H](C)CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667694836 488090394 /nfs/dbraw/zinc/09/03/94/488090394.db2.gz AGRAVXBSQOMCBE-CHWSQXEVSA-N 2 2 247.386 2.697 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000683078740 488106696 /nfs/dbraw/zinc/10/66/96/488106696.db2.gz IDVCFEPLIRZVNZ-HNNXBMFYSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000683078740 488106691 /nfs/dbraw/zinc/10/66/91/488106691.db2.gz IDVCFEPLIRZVNZ-HNNXBMFYSA-N 2 2 248.414 2.783 20 0 BFADLP CC1CC[NH+](CC[NH2+]C2CC3(CCC3)C2)CC1 ZINC000448073906 488109076 /nfs/dbraw/zinc/10/90/76/488109076.db2.gz HOBVGKYELYJBTA-UHFFFAOYSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667785294 488120003 /nfs/dbraw/zinc/12/00/03/488120003.db2.gz LIUYHJKVYZBJDH-KBXIAJHMSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667785294 488120009 /nfs/dbraw/zinc/12/00/09/488120009.db2.gz LIUYHJKVYZBJDH-KBXIAJHMSA-N 2 2 236.403 2.639 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C1CC1 ZINC000094528202 487539034 /nfs/dbraw/zinc/53/90/34/487539034.db2.gz PSGMXKDBGUULLW-HNNXBMFYSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1ccccc1C1CC1 ZINC000094528202 487539037 /nfs/dbraw/zinc/53/90/37/487539037.db2.gz PSGMXKDBGUULLW-HNNXBMFYSA-N 2 2 244.382 2.877 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000162136361 487539726 /nfs/dbraw/zinc/53/97/26/487539726.db2.gz QBCUIALPSZERKF-MRVPVSSYSA-N 2 2 247.169 2.691 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000382105334 487531367 /nfs/dbraw/zinc/53/13/67/487531367.db2.gz COTGZTPAHJPXMH-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000382105334 487531370 /nfs/dbraw/zinc/53/13/70/487531370.db2.gz COTGZTPAHJPXMH-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP c1[nH+]c2n(c1C[NH+]1CC3(C1)CCCCC3)CCC2 ZINC000668231066 487495319 /nfs/dbraw/zinc/49/53/19/487495319.db2.gz KQFZXKRSFKXARH-UHFFFAOYSA-N 2 2 245.370 2.595 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000130325844 487496914 /nfs/dbraw/zinc/49/69/14/487496914.db2.gz UFQZBHXJVBYJSL-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+]CC1(C)CCC1 ZINC000381337365 487504343 /nfs/dbraw/zinc/50/43/43/487504343.db2.gz WEOFIDADNUBPFM-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP c1cn2c(cccc2C[N@H+]2C[C@@H]3CCCC[C@@H]32)[nH+]1 ZINC000668299487 487634212 /nfs/dbraw/zinc/63/42/12/487634212.db2.gz HEQKEKHCZFSPQZ-JSGCOSHPSA-N 2 2 241.338 2.709 20 0 BFADLP COc1c(C)c[nH+]c(Cn2cc(C)[nH+]c2C)c1C ZINC000677645795 488088218 /nfs/dbraw/zinc/08/82/18/488088218.db2.gz NRAHTUBZGBWGSJ-UHFFFAOYSA-N 2 2 245.326 2.569 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000657561298 488137003 /nfs/dbraw/zinc/13/70/03/488137003.db2.gz FQCBAVJYOGRXJI-ZIAGYGMSSA-N 2 2 236.403 2.805 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000657561298 488137009 /nfs/dbraw/zinc/13/70/09/488137009.db2.gz FQCBAVJYOGRXJI-ZIAGYGMSSA-N 2 2 236.403 2.805 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394756759 488151346 /nfs/dbraw/zinc/15/13/46/488151346.db2.gz YIUCNWKYVXTMNK-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000394756759 488151351 /nfs/dbraw/zinc/15/13/51/488151351.db2.gz YIUCNWKYVXTMNK-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@@H](Cc1cccs1)[NH2+]C[C@H](C)[NH+](C)C ZINC000167329672 488156670 /nfs/dbraw/zinc/15/66/70/488156670.db2.gz JMMLMAILOICWAD-RYUDHWBXSA-N 2 2 240.416 2.609 20 0 BFADLP C[NH+](C)C1(C[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000397881278 488162173 /nfs/dbraw/zinc/16/21/73/488162173.db2.gz YSZAPSNHLSBROR-UHFFFAOYSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)C3(CCC3)C2)n1C ZINC000667952905 488167494 /nfs/dbraw/zinc/16/74/94/488167494.db2.gz KURIJFGVDGBSPZ-GFCCVEGCSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)C3(CCC3)C2)n1C ZINC000667952905 488167497 /nfs/dbraw/zinc/16/74/97/488167497.db2.gz KURIJFGVDGBSPZ-GFCCVEGCSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)n1C ZINC000668047857 488195130 /nfs/dbraw/zinc/19/51/30/488195130.db2.gz NUKBMQJLBLTZMC-UTUOFQBUSA-N 2 2 235.375 2.595 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2CCC(C)(C)C2)n1C ZINC000668095516 488202281 /nfs/dbraw/zinc/20/22/81/488202281.db2.gz JWEDBDDRICSODW-GFCCVEGCSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCC(C)(C)C2)n1C ZINC000668095516 488202282 /nfs/dbraw/zinc/20/22/82/488202282.db2.gz JWEDBDDRICSODW-GFCCVEGCSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](CC2CC2)CC2CCC2)n1C ZINC000668097730 488203281 /nfs/dbraw/zinc/20/32/81/488203281.db2.gz SKMJBSAQRLZOMD-UHFFFAOYSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](CC2CC2)CC2CCC2)n1C ZINC000668097730 488203284 /nfs/dbraw/zinc/20/32/84/488203284.db2.gz SKMJBSAQRLZOMD-UHFFFAOYSA-N 2 2 247.386 2.741 20 0 BFADLP CCCC[C@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668154782 488210901 /nfs/dbraw/zinc/21/09/01/488210901.db2.gz VXXSARZYIXIDNY-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CC1(C[NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000683769190 488218351 /nfs/dbraw/zinc/21/83/51/488218351.db2.gz HXNZAKBWMZDKKL-UHFFFAOYSA-N 2 2 233.359 2.663 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)n1C ZINC000668196762 488222104 /nfs/dbraw/zinc/22/21/04/488222104.db2.gz WAZOAIVKGHTCQS-UONOGXRCSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)n1C ZINC000668196762 488222107 /nfs/dbraw/zinc/22/21/07/488222107.db2.gz WAZOAIVKGHTCQS-UONOGXRCSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)n1C ZINC000668220474 488230018 /nfs/dbraw/zinc/23/00/18/488230018.db2.gz RONAYFBNTHIQKD-GJZGRUSLSA-N 2 2 249.402 2.841 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@@H](C(C)C)[C@@H]2C(C)C)n1C ZINC000668220474 488230021 /nfs/dbraw/zinc/23/00/21/488230021.db2.gz RONAYFBNTHIQKD-GJZGRUSLSA-N 2 2 249.402 2.841 20 0 BFADLP CC(C)C([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000678601046 488270329 /nfs/dbraw/zinc/27/03/29/488270329.db2.gz XRLVFKRWBCZVDK-GXTWGEPZSA-N 2 2 238.419 2.739 20 0 BFADLP CC(C)C([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C(C)C ZINC000678601046 488270330 /nfs/dbraw/zinc/27/03/30/488270330.db2.gz XRLVFKRWBCZVDK-GXTWGEPZSA-N 2 2 238.419 2.739 20 0 BFADLP C[C@H](C[NH2+][C@@H]1c2ccccc2CC[C@H]1C)[NH+](C)C ZINC000678769226 488281306 /nfs/dbraw/zinc/28/13/06/488281306.db2.gz PKOFBTODYTWGPQ-IOASZLSFSA-N 2 2 246.398 2.850 20 0 BFADLP CCc1ccc[nH+]c1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679151986 488313927 /nfs/dbraw/zinc/31/39/27/488313927.db2.gz WYRVVUPLQTXSED-DGCLKSJQSA-N 2 2 233.359 2.539 20 0 BFADLP C[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1F ZINC000679224807 488320933 /nfs/dbraw/zinc/32/09/33/488320933.db2.gz PBZREFVSSJKKCX-RDBSUJKOSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1F ZINC000679224807 488320934 /nfs/dbraw/zinc/32/09/34/488320934.db2.gz PBZREFVSSJKKCX-RDBSUJKOSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1F ZINC000679224807 488320935 /nfs/dbraw/zinc/32/09/35/488320935.db2.gz PBZREFVSSJKKCX-RDBSUJKOSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1F ZINC000679224807 488320936 /nfs/dbraw/zinc/32/09/36/488320936.db2.gz PBZREFVSSJKKCX-RDBSUJKOSA-N 2 2 242.382 2.541 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000211727644 488323133 /nfs/dbraw/zinc/32/31/33/488323133.db2.gz RJVREUPLXTWPBO-GDBMZVCRSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)CC2 ZINC000211727644 488323134 /nfs/dbraw/zinc/32/31/34/488323134.db2.gz RJVREUPLXTWPBO-GDBMZVCRSA-N 2 2 244.382 2.666 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000328510258 490297966 /nfs/dbraw/zinc/29/79/66/490297966.db2.gz NHHZBXWEBQVNPB-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000328510258 490297973 /nfs/dbraw/zinc/29/79/73/490297973.db2.gz NHHZBXWEBQVNPB-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000304443908 490361278 /nfs/dbraw/zinc/36/12/78/490361278.db2.gz VWYPRYFDRXSGTG-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000304443908 490361281 /nfs/dbraw/zinc/36/12/81/490361281.db2.gz VWYPRYFDRXSGTG-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]C[C@H](C)[NH+](C)C ZINC000401582445 490396284 /nfs/dbraw/zinc/39/62/84/490396284.db2.gz KXJNMBVPUKCPTO-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)(C)C ZINC000131242602 490625849 /nfs/dbraw/zinc/62/58/49/490625849.db2.gz UKFFRXVHWSQEBB-UPJWGTAASA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)(C)C ZINC000131242602 490625853 /nfs/dbraw/zinc/62/58/53/490625853.db2.gz UKFFRXVHWSQEBB-UPJWGTAASA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1C ZINC000495041943 533962041 /nfs/dbraw/zinc/96/20/41/533962041.db2.gz GEOOQDULCHPELQ-COMQUAJESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)[C@H]1C ZINC000495041943 533962049 /nfs/dbraw/zinc/96/20/49/533962049.db2.gz GEOOQDULCHPELQ-COMQUAJESA-N 2 2 236.403 2.637 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000342690525 535609899 /nfs/dbraw/zinc/60/98/99/535609899.db2.gz RVPADTYFLBVASY-GJZGRUSLSA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000342690525 535609905 /nfs/dbraw/zinc/60/99/05/535609905.db2.gz RVPADTYFLBVASY-GJZGRUSLSA-N 2 2 238.419 2.983 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000300417689 534085519 /nfs/dbraw/zinc/08/55/19/534085519.db2.gz YORNWDMAOLSBQA-MQYQWHSLSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000300417689 534085529 /nfs/dbraw/zinc/08/55/29/534085529.db2.gz YORNWDMAOLSBQA-MQYQWHSLSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000494916685 534087726 /nfs/dbraw/zinc/08/77/26/534087726.db2.gz JKNIIIKFBLMOKI-QTVXIADOSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000494916685 534087729 /nfs/dbraw/zinc/08/77/29/534087729.db2.gz JKNIIIKFBLMOKI-QTVXIADOSA-N 2 2 238.419 2.883 20 0 BFADLP C[N@H+](CCC[NH3+])Cc1cccc(Cl)c1Cl ZINC000227742995 536342251 /nfs/dbraw/zinc/34/22/51/536342251.db2.gz CRPQGPISYYNVOJ-UHFFFAOYSA-N 2 2 247.169 2.774 20 0 BFADLP C[N@@H+](CCC[NH3+])Cc1cccc(Cl)c1Cl ZINC000227742995 536342252 /nfs/dbraw/zinc/34/22/52/536342252.db2.gz CRPQGPISYYNVOJ-UHFFFAOYSA-N 2 2 247.169 2.774 20 0 BFADLP CC(C)C(C[NH2+]CC[NH+]1CCCCC1)C(C)C ZINC000302575661 527587381 /nfs/dbraw/zinc/58/73/81/527587381.db2.gz QFPQZQWSLGOAJK-UHFFFAOYSA-N 2 2 240.435 2.990 20 0 BFADLP CCC[C@@H](C[N@@H+]1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000469833076 528939779 /nfs/dbraw/zinc/93/97/79/528939779.db2.gz ZVHMQTIOUJGEFQ-HOTGVXAUSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@@H](C[N@H+]1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000469833076 528939783 /nfs/dbraw/zinc/93/97/83/528939783.db2.gz ZVHMQTIOUJGEFQ-HOTGVXAUSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CC(C(C)C)C1 ZINC000488422709 529001599 /nfs/dbraw/zinc/00/15/99/529001599.db2.gz POJRJZJOXNDNRW-YMAMQOFZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C1CC(C(C)C)C1 ZINC000488422709 529001605 /nfs/dbraw/zinc/00/16/05/529001605.db2.gz POJRJZJOXNDNRW-YMAMQOFZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000503018010 529371123 /nfs/dbraw/zinc/37/11/23/529371123.db2.gz OUMAEIBRMNGQCQ-LZWOXQAQSA-N 2 2 246.398 2.720 20 0 BFADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000503018010 529371124 /nfs/dbraw/zinc/37/11/24/529371124.db2.gz OUMAEIBRMNGQCQ-LZWOXQAQSA-N 2 2 246.398 2.720 20 0 BFADLP CC[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000503018008 529371291 /nfs/dbraw/zinc/37/12/91/529371291.db2.gz OUMAEIBRMNGQCQ-FMKPAKJESA-N 2 2 246.398 2.720 20 0 BFADLP CC[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000503018008 529371292 /nfs/dbraw/zinc/37/12/92/529371292.db2.gz OUMAEIBRMNGQCQ-FMKPAKJESA-N 2 2 246.398 2.720 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000222060599 535011219 /nfs/dbraw/zinc/01/12/19/535011219.db2.gz KJSDEEWGELCFGT-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C ZINC000222060599 535011226 /nfs/dbraw/zinc/01/12/26/535011226.db2.gz KJSDEEWGELCFGT-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251964566 535011717 /nfs/dbraw/zinc/01/17/17/535011717.db2.gz XUFWAHPYLHPPAH-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251964566 535011724 /nfs/dbraw/zinc/01/17/24/535011724.db2.gz XUFWAHPYLHPPAH-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[NH+](CCc1c[nH+]cn1C)CC(C)C ZINC000347706055 535054555 /nfs/dbraw/zinc/05/45/55/535054555.db2.gz LABYFURUMDTXRY-UHFFFAOYSA-N 2 2 237.391 2.577 20 0 BFADLP CC(C)CC[NH+](CCC(C)C)C[C@@H](C)[NH3+] ZINC000232549401 535384923 /nfs/dbraw/zinc/38/49/23/535384923.db2.gz JMIBNUNCMGFJEF-CYBMUJFWSA-N 2 2 214.397 2.728 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000078466370 535540528 /nfs/dbraw/zinc/54/05/28/535540528.db2.gz NPVLGYJWGRMVGX-HZSPNIEDSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000349034990 535611401 /nfs/dbraw/zinc/61/14/01/535611401.db2.gz OPVRCTSJDULYGB-RRFJBIMHSA-N 2 2 238.419 2.981 20 0 BFADLP CCC[C@H](C)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000349034990 535611408 /nfs/dbraw/zinc/61/14/08/535611408.db2.gz OPVRCTSJDULYGB-RRFJBIMHSA-N 2 2 238.419 2.981 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](CC[C@H](C)c2ccccc2)C1 ZINC000251258635 536362179 /nfs/dbraw/zinc/36/21/79/536362179.db2.gz VQWCPFAJSJYSSW-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](CC[C@H](C)c2ccccc2)C1 ZINC000251258635 536362183 /nfs/dbraw/zinc/36/21/83/536362183.db2.gz VQWCPFAJSJYSSW-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCC(C)(C)C1 ZINC000349372490 536363376 /nfs/dbraw/zinc/36/33/76/536363376.db2.gz UZTZZLSLVUVFRC-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCC(C)(C)C1 ZINC000349372490 536363378 /nfs/dbraw/zinc/36/33/78/536363378.db2.gz UZTZZLSLVUVFRC-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP CCCSC[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000893884129 583240929 /nfs/dbraw/zinc/24/09/29/583240929.db2.gz APGQFRAOPSRTJG-GFCCVEGCSA-N 2 2 244.448 2.592 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000892787090 582982582 /nfs/dbraw/zinc/98/25/82/582982582.db2.gz YMLDDGASBGZIFU-HNNXBMFYSA-N 2 2 246.398 2.646 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000892787090 582982584 /nfs/dbraw/zinc/98/25/84/582982584.db2.gz YMLDDGASBGZIFU-HNNXBMFYSA-N 2 2 246.398 2.646 20 0 BFADLP CCCSC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000893355583 583120518 /nfs/dbraw/zinc/12/05/18/583120518.db2.gz GDKOCGWKZYGPOQ-STQMWFEESA-N 2 2 244.448 2.592 20 0 BFADLP CCCSC[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000893355583 583120520 /nfs/dbraw/zinc/12/05/20/583120520.db2.gz GDKOCGWKZYGPOQ-STQMWFEESA-N 2 2 244.448 2.592 20 0 BFADLP Cc1coc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000893965715 583264175 /nfs/dbraw/zinc/26/41/75/583264175.db2.gz AMXJTALWBDKPOY-GFCCVEGCSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1coc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000893965715 583264178 /nfs/dbraw/zinc/26/41/78/583264178.db2.gz AMXJTALWBDKPOY-GFCCVEGCSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1cccc(C(C)(C)C[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894211909 583377264 /nfs/dbraw/zinc/37/72/64/583377264.db2.gz VWHOPHVPTLQNCB-UHFFFAOYSA-N 2 2 243.354 2.786 20 0 BFADLP Cc1ccccc1CC(C)(C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894249271 583391256 /nfs/dbraw/zinc/39/12/56/583391256.db2.gz PIBPWYLOIKTZGA-UHFFFAOYSA-N 2 2 243.354 2.829 20 0 BFADLP Cc1cc(C)cc(C[C@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894303586 583416098 /nfs/dbraw/zinc/41/60/98/583416098.db2.gz DBFAKZCFUOLANG-ZDUSSCGKSA-N 2 2 243.354 2.747 20 0 BFADLP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000894369761 583440168 /nfs/dbraw/zinc/44/01/68/583440168.db2.gz CMMLDKPSPSCDJE-XHDPSFHLSA-N 2 2 241.338 2.823 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H](C)C2 ZINC000894432351 583456293 /nfs/dbraw/zinc/45/62/93/583456293.db2.gz YOTMVNLKLCWGBH-ABAIWWIYSA-N 2 2 241.338 2.741 20 0 BFADLP CC(C)CC[N@@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068510 583579031 /nfs/dbraw/zinc/57/90/31/583579031.db2.gz CXECBMFNEYJQNQ-UHFFFAOYSA-N 2 2 233.359 2.693 20 0 BFADLP CC(C)CC[N@H+]1CCc2[nH+]c[nH]c2C12CCC2 ZINC000895068510 583579033 /nfs/dbraw/zinc/57/90/33/583579033.db2.gz CXECBMFNEYJQNQ-UHFFFAOYSA-N 2 2 233.359 2.693 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1C=CCC1 ZINC000895528637 583685099 /nfs/dbraw/zinc/68/50/99/583685099.db2.gz YQPJTWJJDPOENR-AWEZNQCLSA-N 2 2 230.355 2.878 20 0 BFADLP Cc1occc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895672430 583706767 /nfs/dbraw/zinc/70/67/67/583706767.db2.gz UZMUFEPSMDMDMX-UHFFFAOYSA-N 2 2 248.370 2.648 20 0 BFADLP Cc1ccc(CCC[N@H+](C)CCCF)c[nH+]1 ZINC000895895713 583743870 /nfs/dbraw/zinc/74/38/70/583743870.db2.gz DDZNKSIENNOZBO-UHFFFAOYSA-N 2 2 224.323 2.614 20 0 BFADLP Cc1ccc(CCC[N@@H+](C)CCCF)c[nH+]1 ZINC000895895713 583743871 /nfs/dbraw/zinc/74/38/71/583743871.db2.gz DDZNKSIENNOZBO-UHFFFAOYSA-N 2 2 224.323 2.614 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253596 583766953 /nfs/dbraw/zinc/76/69/53/583766953.db2.gz WPKVKGKMTNMUAY-SWLSCSKDSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253596 583766955 /nfs/dbraw/zinc/76/69/55/583766955.db2.gz WPKVKGKMTNMUAY-SWLSCSKDSA-N 2 2 248.414 2.639 20 0 BFADLP CC1([NH+]2CCC2)CCC(Nc2cccc[nH+]2)CC1 ZINC000896256909 583785911 /nfs/dbraw/zinc/78/59/11/583785911.db2.gz JXIULRZVAMKBRQ-UHFFFAOYSA-N 2 2 245.370 2.901 20 0 BFADLP Cc1ccc(NCCNc2cc(C)cc[nH+]2)[nH+]c1 ZINC000896455703 583803314 /nfs/dbraw/zinc/80/33/14/583803314.db2.gz IIHMIMXRFRXPJP-UHFFFAOYSA-N 2 2 242.326 2.617 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H]1C)Cc1ccccc1 ZINC000896557424 583812947 /nfs/dbraw/zinc/81/29/47/583812947.db2.gz HSMCRFFIKXXHHZ-LZWOXQAQSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C)Cc1ccccc1 ZINC000896557424 583812950 /nfs/dbraw/zinc/81/29/50/583812950.db2.gz HSMCRFFIKXXHHZ-LZWOXQAQSA-N 2 2 246.398 2.547 20 0 BFADLP Cc1ccoc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308310 584109804 /nfs/dbraw/zinc/10/98/04/584109804.db2.gz XLBBQMLHPNKNCS-UHFFFAOYSA-N 2 2 238.375 2.608 20 0 BFADLP Cc1ccoc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898308310 584109805 /nfs/dbraw/zinc/10/98/05/584109805.db2.gz XLBBQMLHPNKNCS-UHFFFAOYSA-N 2 2 238.375 2.608 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000858465410 588957519 /nfs/dbraw/zinc/95/75/19/588957519.db2.gz XYAAJLOMQMFPEV-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000858465410 588957520 /nfs/dbraw/zinc/95/75/20/588957520.db2.gz XYAAJLOMQMFPEV-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000858465412 588957650 /nfs/dbraw/zinc/95/76/50/588957650.db2.gz XYAAJLOMQMFPEV-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000858465412 588957651 /nfs/dbraw/zinc/95/76/51/588957651.db2.gz XYAAJLOMQMFPEV-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1ccc(N[C@H]2CC[NH2+]CC(C)(C)C2)c[nH+]1 ZINC000902372784 584566678 /nfs/dbraw/zinc/56/66/78/584566678.db2.gz ZNIGKXULSJNUQU-LBPRGKRZSA-N 2 2 233.359 2.580 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1csc(Cl)c1 ZINC000902408556 584575288 /nfs/dbraw/zinc/57/52/88/584575288.db2.gz ZAPJRAFYLFRVPC-ZETCQYMHSA-N 2 2 230.764 2.543 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902429913 584594779 /nfs/dbraw/zinc/59/47/79/584594779.db2.gz BGPLVHRHGYBHKD-ARLBYUKCSA-N 2 2 244.382 2.635 20 0 BFADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C(C)(C)C ZINC000902437431 584596418 /nfs/dbraw/zinc/59/64/18/584596418.db2.gz HXNUDFZPDKMNAE-LERXQTSPSA-N 2 2 232.371 2.635 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)CC2 ZINC000902446346 584596670 /nfs/dbraw/zinc/59/66/70/584596670.db2.gz OEELFHBLXKVQGX-LSDHHAIUSA-N 2 2 244.382 2.570 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438967 584597122 /nfs/dbraw/zinc/59/71/22/584597122.db2.gz PGFVSAYQWNXBKV-BPLDGKMQSA-N 2 2 232.371 2.779 20 0 BFADLP CC(C)C[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902441931 584597791 /nfs/dbraw/zinc/59/77/91/584597791.db2.gz FYWONKLOBTZVMR-KCPJHIHWSA-N 2 2 232.371 2.635 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)s1 ZINC000902444289 584598509 /nfs/dbraw/zinc/59/85/09/584598509.db2.gz GOYMLDSUWHIOAX-ZYHUDNBSSA-N 2 2 238.400 2.705 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000902444497 584598831 /nfs/dbraw/zinc/59/88/31/584598831.db2.gz IDUGGJZOUSLPSE-ZYHUDNBSSA-N 2 2 238.400 2.787 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000902444495 584599140 /nfs/dbraw/zinc/59/91/40/584599140.db2.gz IDUGGJZOUSLPSE-PWSUYJOCSA-N 2 2 238.400 2.787 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902472712 584600871 /nfs/dbraw/zinc/60/08/71/584600871.db2.gz GAWKCLIQQFAMJS-PMOUVXMZSA-N 2 2 230.355 2.539 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC000902473124 584601134 /nfs/dbraw/zinc/60/11/34/584601134.db2.gz RLQNNAFCARDKPT-CBBWQLFWSA-N 2 2 230.355 2.620 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472737 584601359 /nfs/dbraw/zinc/60/13/59/584601359.db2.gz GVKYHLZGAIJXTI-RJZRQDKASA-N 2 2 230.355 2.539 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C)cc1 ZINC000902473291 584601955 /nfs/dbraw/zinc/60/19/55/584601955.db2.gz XDEUDSMPZFKUJP-FXUDXRNXSA-N 2 2 244.382 2.929 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccnc1 ZINC000902447276 584605160 /nfs/dbraw/zinc/60/51/60/584605160.db2.gz XWYSLTJWKFJSJB-KBPBESRZSA-N 2 2 247.386 2.510 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902465460 584613834 /nfs/dbraw/zinc/61/38/34/584613834.db2.gz GAWKCLIQQFAMJS-SPWCGHHHSA-N 2 2 230.355 2.539 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccsc1 ZINC000902468867 584615282 /nfs/dbraw/zinc/61/52/82/584615282.db2.gz XDROXECNPHMTEI-MROQNXINSA-N 2 2 236.384 2.682 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1C ZINC000902471716 584617479 /nfs/dbraw/zinc/61/74/79/584617479.db2.gz RJJAVRMJFRMFEI-OCVGTWLNSA-N 2 2 244.382 2.847 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cccc(O)c1 ZINC000902481776 584623853 /nfs/dbraw/zinc/62/38/53/584623853.db2.gz GZOQRZLVHJNTPL-TZMCWYRMSA-N 2 2 248.370 2.575 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cccc(O)c1 ZINC000902481773 584624090 /nfs/dbraw/zinc/62/40/90/584624090.db2.gz GZOQRZLVHJNTPL-JSGCOSHPSA-N 2 2 248.370 2.575 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)C[N@@H+]1C1CC1 ZINC000902839238 584679777 /nfs/dbraw/zinc/67/97/77/584679777.db2.gz PEMAAZMRUODJOR-OSFYFWSMSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)C[N@H+]1C1CC1 ZINC000902839238 584679778 /nfs/dbraw/zinc/67/97/78/584679778.db2.gz PEMAAZMRUODJOR-OSFYFWSMSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCn2cc[nH+]c2)[C@@H]1C ZINC000903058652 584723017 /nfs/dbraw/zinc/72/30/17/584723017.db2.gz SOVHZEHKNOLSKB-RQJABVFESA-N 2 2 235.375 2.543 20 0 BFADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000903199268 584734620 /nfs/dbraw/zinc/73/46/20/584734620.db2.gz WTPBJAAANVMSMA-GFCCVEGCSA-N 2 2 247.386 2.816 20 0 BFADLP CN(C)c1cc[nH+]c(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000903199416 584734852 /nfs/dbraw/zinc/73/48/52/584734852.db2.gz XBNLKGOJNPPWCY-AWEZNQCLSA-N 2 2 245.370 2.570 20 0 BFADLP CN(C)c1cc[nH+]c(C[NH2+][C@H]2CCCC2(C)C)c1 ZINC000903201791 584735229 /nfs/dbraw/zinc/73/52/29/584735229.db2.gz NNYJYSKICRTWFQ-AWEZNQCLSA-N 2 2 247.386 2.816 20 0 BFADLP CC1CCC([NH2+]Cc2cc(N(C)C)cc[nH+]2)CC1 ZINC000903202491 584735631 /nfs/dbraw/zinc/73/56/31/584735631.db2.gz CVXGTPSPMLGQEE-UHFFFAOYSA-N 2 2 247.386 2.816 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300811 584743766 /nfs/dbraw/zinc/74/37/66/584743766.db2.gz KVPOGGRBZDPWSU-CZPYZCIJSA-N 2 2 244.382 2.602 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300811 584743767 /nfs/dbraw/zinc/74/37/67/584743767.db2.gz KVPOGGRBZDPWSU-CZPYZCIJSA-N 2 2 244.382 2.602 20 0 BFADLP c1cc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)cs1 ZINC000903431031 584761838 /nfs/dbraw/zinc/76/18/38/584761838.db2.gz DJILCGUNJMOOLY-CHWSQXEVSA-N 2 2 236.384 2.637 20 0 BFADLP c1cc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)cs1 ZINC000903431031 584761840 /nfs/dbraw/zinc/76/18/40/584761840.db2.gz DJILCGUNJMOOLY-CHWSQXEVSA-N 2 2 236.384 2.637 20 0 BFADLP C[NH2+]CC[N@H+](Cc1ccc2cc[nH]c2c1)C(C)C ZINC000903574995 584783988 /nfs/dbraw/zinc/78/39/88/584783988.db2.gz BMGKHAJFXSREJM-UHFFFAOYSA-N 2 2 245.370 2.598 20 0 BFADLP C[NH2+]CC[N@@H+](Cc1ccc2cc[nH]c2c1)C(C)C ZINC000903574995 584783989 /nfs/dbraw/zinc/78/39/89/584783989.db2.gz BMGKHAJFXSREJM-UHFFFAOYSA-N 2 2 245.370 2.598 20 0 BFADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2Cc1ccc(F)cc1 ZINC000903795863 584801025 /nfs/dbraw/zinc/80/10/25/584801025.db2.gz QENHIHGFHOFSMB-HIFRSBDPSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2Cc1ccc(F)cc1 ZINC000903795863 584801027 /nfs/dbraw/zinc/80/10/27/584801027.db2.gz QENHIHGFHOFSMB-HIFRSBDPSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903805618 584803068 /nfs/dbraw/zinc/80/30/68/584803068.db2.gz PMXRAKNCUFJQDU-FXUDXRNXSA-N 2 2 248.414 2.626 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903805618 584803069 /nfs/dbraw/zinc/80/30/69/584803069.db2.gz PMXRAKNCUFJQDU-FXUDXRNXSA-N 2 2 248.414 2.626 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949722 584830397 /nfs/dbraw/zinc/83/03/97/584830397.db2.gz DLXXMSWGZMVWMD-NEPJUHHUSA-N 2 2 233.359 2.580 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903951258 584830687 /nfs/dbraw/zinc/83/06/87/584830687.db2.gz VGTULUYCNAZCCX-SMDDNHRTSA-N 2 2 247.386 2.968 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)[C@H](C)C1 ZINC000903949887 584831091 /nfs/dbraw/zinc/83/10/91/584831091.db2.gz GVYODWAOWDARCL-GYSYKLTISA-N 2 2 233.359 2.578 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)C[C@@H]1C ZINC000903954100 584831881 /nfs/dbraw/zinc/83/18/81/584831881.db2.gz QCEQUOXSKQVKCO-MDZLAQPJSA-N 2 2 233.359 2.578 20 0 BFADLP C[C@@H]([NH2+]Cc1cc(N)cc[nH+]1)C1CCCCC1 ZINC000903954763 584832051 /nfs/dbraw/zinc/83/20/51/584832051.db2.gz UZUSHHTWLPBMIR-LLVKDONJSA-N 2 2 233.359 2.722 20 0 BFADLP CC(C)(C)CC[C@@H]([NH3+])C[N@@H+]1CCCSCC1 ZINC000904329971 584866177 /nfs/dbraw/zinc/86/61/77/584866177.db2.gz VVCMJTYJNIIYJN-GFCCVEGCSA-N 2 2 244.448 2.579 20 0 BFADLP CC(C)(C)CC[C@@H]([NH3+])C[N@H+]1CCCSCC1 ZINC000904329971 584866178 /nfs/dbraw/zinc/86/61/78/584866178.db2.gz VVCMJTYJNIIYJN-GFCCVEGCSA-N 2 2 244.448 2.579 20 0 BFADLP C[C@H]([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)c1ccccn1 ZINC000904368827 584872525 /nfs/dbraw/zinc/87/25/25/584872525.db2.gz VWZPWVQOFOUYIY-STQMWFEESA-N 2 2 249.402 2.886 20 0 BFADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(F)CC1 ZINC000904385128 584877225 /nfs/dbraw/zinc/87/72/25/584877225.db2.gz TTWDVIJXEGXYJC-GFCCVEGCSA-N 2 2 230.371 2.574 20 0 BFADLP Cc1cc(NC[C@@]2(C)CCC[NH2+]C2)c[nH+]c1C ZINC000904386152 584877820 /nfs/dbraw/zinc/87/78/20/584877820.db2.gz QPRKSDUKXZARAT-AWEZNQCLSA-N 2 2 233.359 2.500 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000155913831 585017751 /nfs/dbraw/zinc/01/77/51/585017751.db2.gz DADBFPVLMSWDFH-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000155913831 585017752 /nfs/dbraw/zinc/01/77/52/585017752.db2.gz DADBFPVLMSWDFH-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc([NH2+]CC2CC2)ccc1OCC[NH+](C)C ZINC000839184447 585096720 /nfs/dbraw/zinc/09/67/20/585096720.db2.gz KTWACXHILMXXHB-UHFFFAOYSA-N 2 2 248.370 2.757 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000765278174 585483454 /nfs/dbraw/zinc/48/34/54/585483454.db2.gz BSUPGQYXZSFYMM-GDBMZVCRSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000765278174 585483455 /nfs/dbraw/zinc/48/34/55/585483455.db2.gz BSUPGQYXZSFYMM-GDBMZVCRSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000765333405 585483908 /nfs/dbraw/zinc/48/39/08/585483908.db2.gz UWVNNAKYWNXXEY-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000765333405 585483909 /nfs/dbraw/zinc/48/39/09/585483909.db2.gz UWVNNAKYWNXXEY-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000765683106 585492050 /nfs/dbraw/zinc/49/20/50/585492050.db2.gz DPCHHTONSIHAGL-CVEARBPZSA-N 2 2 246.398 2.692 20 0 BFADLP CCC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000765683106 585492051 /nfs/dbraw/zinc/49/20/51/585492051.db2.gz DPCHHTONSIHAGL-CVEARBPZSA-N 2 2 246.398 2.692 20 0 BFADLP CC(C)CCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000766121923 585497943 /nfs/dbraw/zinc/49/79/43/585497943.db2.gz RCWLPDSWUCKUJI-UKRRQHHQSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000766121923 585497944 /nfs/dbraw/zinc/49/79/44/585497944.db2.gz RCWLPDSWUCKUJI-UKRRQHHQSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C)CCCC1 ZINC000772963100 585628256 /nfs/dbraw/zinc/62/82/56/585628256.db2.gz JIIZUAKNFNBIID-TZMCWYRMSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C)CCCC1 ZINC000772963100 585628257 /nfs/dbraw/zinc/62/82/57/585628257.db2.gz JIIZUAKNFNBIID-TZMCWYRMSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000777130137 585708929 /nfs/dbraw/zinc/70/89/29/585708929.db2.gz PIMHZRMDPJIHTM-WHRXGGIHSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000777130137 585708930 /nfs/dbraw/zinc/70/89/30/585708930.db2.gz PIMHZRMDPJIHTM-WHRXGGIHSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@H](C1CC1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000782192968 585811432 /nfs/dbraw/zinc/81/14/32/585811432.db2.gz XUJOFZKDLSABMZ-YRGRVCCFSA-N 2 2 233.359 2.565 20 0 BFADLP C[C@H](C1CC1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000782192968 585811433 /nfs/dbraw/zinc/81/14/33/585811433.db2.gz XUJOFZKDLSABMZ-YRGRVCCFSA-N 2 2 233.359 2.565 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000796703151 586110276 /nfs/dbraw/zinc/11/02/76/586110276.db2.gz SIICBRGCOYJQIN-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000815575784 586687493 /nfs/dbraw/zinc/68/74/93/586687493.db2.gz AIAVVJVDFGGGOK-MLGOLLRUSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000815575784 586687495 /nfs/dbraw/zinc/68/74/95/586687495.db2.gz AIAVVJVDFGGGOK-MLGOLLRUSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000816649082 586752150 /nfs/dbraw/zinc/75/21/50/586752150.db2.gz SXNLPMJKLJIMIX-QWRGUYRKSA-N 2 2 247.367 2.774 20 0 BFADLP C[C@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000816649082 586752151 /nfs/dbraw/zinc/75/21/51/586752151.db2.gz SXNLPMJKLJIMIX-QWRGUYRKSA-N 2 2 247.367 2.774 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000817907270 586836759 /nfs/dbraw/zinc/83/67/59/586836759.db2.gz ALRDTMKEZVUYGV-UKRRQHHQSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000817909110 586837304 /nfs/dbraw/zinc/83/73/04/586837304.db2.gz XXQBFHDUYXVEAV-GDBMZVCRSA-N 2 2 246.398 2.924 20 0 BFADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]CC[NH2+]C1CC1 ZINC000817953344 586848773 /nfs/dbraw/zinc/84/87/73/586848773.db2.gz KZHVKCSJFMPEGH-LLVKDONJSA-N 2 2 236.334 2.537 20 0 BFADLP C[C@H]([NH2+]C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821401201 587117379 /nfs/dbraw/zinc/11/73/79/587117379.db2.gz BTWVLPOUIIKEFK-NSHDSACASA-N 2 2 227.311 2.685 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CCC1 ZINC000824098747 587255580 /nfs/dbraw/zinc/25/55/80/587255580.db2.gz NLOURHIECHFSGD-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CCC1 ZINC000824098747 587255581 /nfs/dbraw/zinc/25/55/81/587255581.db2.gz NLOURHIECHFSGD-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cccc2c1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C2 ZINC000841007412 587934636 /nfs/dbraw/zinc/93/46/36/587934636.db2.gz WOPQKMQNAWQHDG-OAHLLOKOSA-N 2 2 246.398 2.727 20 0 BFADLP Cc1cccc2c1CC[N@H+](C[C@H]([NH3+])CC(C)C)C2 ZINC000841007412 587934637 /nfs/dbraw/zinc/93/46/37/587934637.db2.gz WOPQKMQNAWQHDG-OAHLLOKOSA-N 2 2 246.398 2.727 20 0 BFADLP C(=C\c1ccccc1)\C[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105617 587946155 /nfs/dbraw/zinc/94/61/55/587946155.db2.gz SDOXWMSLXPPTSQ-FAOGRTBUSA-N 2 2 242.366 2.528 20 0 BFADLP C(=C\c1ccccc1)\C[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105617 587946157 /nfs/dbraw/zinc/94/61/57/587946157.db2.gz SDOXWMSLXPPTSQ-FAOGRTBUSA-N 2 2 242.366 2.528 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+][C@H]3CC[C@H]3C)cn21 ZINC000842934169 588072394 /nfs/dbraw/zinc/07/23/94/588072394.db2.gz UPKZFSBGCGQBQX-RISCZKNCSA-N 2 2 243.354 2.573 20 0 BFADLP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848568228 588398253 /nfs/dbraw/zinc/39/82/53/588398253.db2.gz BSNKKQQHVYZXQV-XUWVNRHRSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@@H]1CC[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848568228 588398254 /nfs/dbraw/zinc/39/82/54/588398254.db2.gz BSNKKQQHVYZXQV-XUWVNRHRSA-N 2 2 248.414 2.782 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000851989718 588652141 /nfs/dbraw/zinc/65/21/41/588652141.db2.gz KLMNJYFNAUJUOI-CQSZACIVSA-N 2 2 245.370 2.566 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000851989718 588652142 /nfs/dbraw/zinc/65/21/42/588652142.db2.gz KLMNJYFNAUJUOI-CQSZACIVSA-N 2 2 245.370 2.566 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000851989152 588652798 /nfs/dbraw/zinc/65/27/98/588652798.db2.gz FWIWCKGGKRNGDM-CQSZACIVSA-N 2 2 247.386 2.956 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000851989152 588652799 /nfs/dbraw/zinc/65/27/99/588652799.db2.gz FWIWCKGGKRNGDM-CQSZACIVSA-N 2 2 247.386 2.956 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000852748770 588699676 /nfs/dbraw/zinc/69/96/76/588699676.db2.gz CZWYBNQRZNZGQH-CVEARBPZSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000852748770 588699677 /nfs/dbraw/zinc/69/96/77/588699677.db2.gz CZWYBNQRZNZGQH-CVEARBPZSA-N 2 2 244.382 2.604 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000863545433 589298113 /nfs/dbraw/zinc/29/81/13/589298113.db2.gz RVCBIFJISJYRFD-XPKDYRNWSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000863567114 589299707 /nfs/dbraw/zinc/29/97/07/589299707.db2.gz BZFLLDNDNWMPLF-ZANVPECISA-N 2 2 238.762 2.606 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCc2c1cccc2Cl ZINC000863567114 589299709 /nfs/dbraw/zinc/29/97/09/589299709.db2.gz BZFLLDNDNWMPLF-ZANVPECISA-N 2 2 238.762 2.606 20 0 BFADLP Cc1[nH+]cc(-c2ccc(C[NH+](C)C)cc2)cc1N ZINC000863691600 589310862 /nfs/dbraw/zinc/31/08/62/589310862.db2.gz INQQHPBGLRIXRJ-UHFFFAOYSA-N 2 2 241.338 2.701 20 0 BFADLP Cn1c[nH+]cc1C[NH2+]Cc1ccc(C(C)(C)C)o1 ZINC000865815332 589462956 /nfs/dbraw/zinc/46/29/56/589462956.db2.gz ZJOMRIICHVVNKC-UHFFFAOYSA-N 2 2 247.342 2.600 20 0 BFADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866726629 589516455 /nfs/dbraw/zinc/51/64/55/589516455.db2.gz YGOZGQOITZEMBG-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866726629 589516456 /nfs/dbraw/zinc/51/64/56/589516456.db2.gz YGOZGQOITZEMBG-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866726632 589516564 /nfs/dbraw/zinc/51/65/64/589516564.db2.gz YGOZGQOITZEMBG-JKSUJKDBSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866726632 589516565 /nfs/dbraw/zinc/51/65/65/589516565.db2.gz YGOZGQOITZEMBG-JKSUJKDBSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CCC[C@@H]2C=CCC2)n1C ZINC000873154341 589987690 /nfs/dbraw/zinc/98/76/90/589987690.db2.gz VNVNVMQMCAFMTP-CYBMUJFWSA-N 2 2 233.359 2.565 20 0 BFADLP Cc1ccc(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)cc1C ZINC000873229437 590001817 /nfs/dbraw/zinc/00/18/17/590001817.db2.gz YTURFVIFZFWVBD-HOTGVXAUSA-N 2 2 244.382 2.678 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000877019898 590269780 /nfs/dbraw/zinc/26/97/80/590269780.db2.gz UELCYCKIXDZCSQ-HNNXBMFYSA-N 2 2 234.387 2.703 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000877019898 590269782 /nfs/dbraw/zinc/26/97/82/590269782.db2.gz UELCYCKIXDZCSQ-HNNXBMFYSA-N 2 2 234.387 2.703 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CC1(C)CCCC1 ZINC000877528202 590349190 /nfs/dbraw/zinc/34/91/90/590349190.db2.gz VOXKHQHMLAHVSK-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CC1(C)CCCC1 ZINC000877528202 590349191 /nfs/dbraw/zinc/34/91/91/590349191.db2.gz VOXKHQHMLAHVSK-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP Cc1ccsc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000126851295 590473909 /nfs/dbraw/zinc/47/39/09/590473909.db2.gz DYYHWNQZUOXMPU-NSHDSACASA-N 2 2 249.383 2.679 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878059462 590484914 /nfs/dbraw/zinc/48/49/14/590484914.db2.gz KNRKHFMHPCJTAB-XGACYXMMSA-N 2 2 231.343 2.652 20 0 BFADLP C=C/C=C/CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000878059462 590484916 /nfs/dbraw/zinc/48/49/16/590484916.db2.gz KNRKHFMHPCJTAB-XGACYXMMSA-N 2 2 231.343 2.652 20 0 BFADLP CC1([NH+]2CCCC2)CC[NH+](C/C=C/Cl)CC1 ZINC000879200614 590713041 /nfs/dbraw/zinc/71/30/41/590713041.db2.gz XDYUQGJWSWODRS-QPJJXVBHSA-N 2 2 242.794 2.689 20 0 BFADLP CCC1(CC)CCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000880094344 590925089 /nfs/dbraw/zinc/92/50/89/590925089.db2.gz GLARVDXGNYKHPU-UHFFFAOYSA-N 2 2 235.375 2.928 20 0 BFADLP CCC1(CC)CCC[N@H+]1CCCn1cc[nH+]c1 ZINC000880094344 590925092 /nfs/dbraw/zinc/92/50/92/590925092.db2.gz GLARVDXGNYKHPU-UHFFFAOYSA-N 2 2 235.375 2.928 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC000880136173 590936780 /nfs/dbraw/zinc/93/67/80/590936780.db2.gz HFZIGVWATHLNMP-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC000880136173 590936782 /nfs/dbraw/zinc/93/67/82/590936782.db2.gz HFZIGVWATHLNMP-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C ZINC000880136173 590936784 /nfs/dbraw/zinc/93/67/84/590936784.db2.gz HFZIGVWATHLNMP-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC(C)(C)C ZINC000880136173 590936787 /nfs/dbraw/zinc/93/67/87/590936787.db2.gz HFZIGVWATHLNMP-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000880142541 590943536 /nfs/dbraw/zinc/94/35/36/590943536.db2.gz QBHVEGGZGJFRFH-RBGFHDKUSA-N 2 2 248.414 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000880142541 590943539 /nfs/dbraw/zinc/94/35/39/590943539.db2.gz QBHVEGGZGJFRFH-RBGFHDKUSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000880142541 590943540 /nfs/dbraw/zinc/94/35/40/590943540.db2.gz QBHVEGGZGJFRFH-RBGFHDKUSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000880142541 590943543 /nfs/dbraw/zinc/94/35/43/590943543.db2.gz QBHVEGGZGJFRFH-RBGFHDKUSA-N 2 2 248.414 2.591 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC000880143074 590945063 /nfs/dbraw/zinc/94/50/63/590945063.db2.gz XRULWPMXERNRLE-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC000880143074 590945065 /nfs/dbraw/zinc/94/50/65/590945065.db2.gz XRULWPMXERNRLE-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1 ZINC000880143074 590945068 /nfs/dbraw/zinc/94/50/68/590945068.db2.gz XRULWPMXERNRLE-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCCC1CCC1 ZINC000880143074 590945069 /nfs/dbraw/zinc/94/50/69/590945069.db2.gz XRULWPMXERNRLE-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP CCCC[C@@H](CC)CC[NH2+][C@H]1CC[N@H+](C)C1 ZINC000128729469 591156482 /nfs/dbraw/zinc/15/64/82/591156482.db2.gz XAGRTKMZDDFYJV-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@@H](CC)CC[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000128729469 591156485 /nfs/dbraw/zinc/15/64/85/591156485.db2.gz XAGRTKMZDDFYJV-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3C=CCC3)n2c1 ZINC000883237739 591583641 /nfs/dbraw/zinc/58/36/41/591583641.db2.gz JKKHSHQDUFDWHK-ZDUSSCGKSA-N 2 2 241.338 2.699 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253595 591593731 /nfs/dbraw/zinc/59/37/31/591593731.db2.gz WPKVKGKMTNMUAY-IUODEOHRSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253595 591593732 /nfs/dbraw/zinc/59/37/32/591593732.db2.gz WPKVKGKMTNMUAY-IUODEOHRSA-N 2 2 248.414 2.639 20 0 BFADLP CC[N@@H+]1CC[C@@H](Nc2c[nH+]c(C)c(C)c2)[C@@H](C)C1 ZINC000883340867 591619814 /nfs/dbraw/zinc/61/98/14/591619814.db2.gz BAAYDGIDXGHJMB-SWLSCSKDSA-N 2 2 247.386 2.841 20 0 BFADLP CC[N@H+]1CC[C@@H](Nc2c[nH+]c(C)c(C)c2)[C@@H](C)C1 ZINC000883340867 591619816 /nfs/dbraw/zinc/61/98/16/591619816.db2.gz BAAYDGIDXGHJMB-SWLSCSKDSA-N 2 2 247.386 2.841 20 0 BFADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1C ZINC000883355898 591625535 /nfs/dbraw/zinc/62/55/35/591625535.db2.gz ZWMXLVLRQOTDAJ-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1C ZINC000883355898 591625537 /nfs/dbraw/zinc/62/55/37/591625537.db2.gz ZWMXLVLRQOTDAJ-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000883356522 591627492 /nfs/dbraw/zinc/62/74/92/591627492.db2.gz QGSKALVFNUIHMI-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000883356522 591627493 /nfs/dbraw/zinc/62/74/93/591627493.db2.gz QGSKALVFNUIHMI-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP CCCc1[nH+]ccn1Cc1cn2ccccc2[nH+]1 ZINC000070424373 592257725 /nfs/dbraw/zinc/25/77/25/592257725.db2.gz VTNXJPXZLZEAJK-UHFFFAOYSA-N 2 2 240.310 2.532 20 0 BFADLP Cc1ccc([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000300131361 592503260 /nfs/dbraw/zinc/50/32/60/592503260.db2.gz BHTXMDWCLKVRSO-KGLIPLIRSA-N 2 2 232.371 2.819 20 0 BFADLP Cc1ccc([N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000300131361 592503262 /nfs/dbraw/zinc/50/32/62/592503262.db2.gz BHTXMDWCLKVRSO-KGLIPLIRSA-N 2 2 232.371 2.819 20 0 BFADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCC(C)(C)F)c1ccccc1 ZINC000925705855 634387984 /nfs/dbraw/zinc/38/79/84/634387984.db2.gz CKKOMMDHWKFYLX-DGCLKSJQSA-N 2 2 238.350 2.803 20 0 BFADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccoc1)c1ccccc1 ZINC000925705316 634388659 /nfs/dbraw/zinc/38/86/59/634388659.db2.gz ADOBIYMZDKBYTF-WFASDCNBSA-N 2 2 244.338 2.500 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)c(C)c1 ZINC000257712295 634476899 /nfs/dbraw/zinc/47/68/99/634476899.db2.gz TWWDLOQRLZNSJF-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@]23CC[NH2+]C3)c(C)c1 ZINC000257712295 634476902 /nfs/dbraw/zinc/47/69/02/634476902.db2.gz TWWDLOQRLZNSJF-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccccc1C[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257733365 634486255 /nfs/dbraw/zinc/48/62/55/634486255.db2.gz XLZPXQGNTAJNRW-INIZCTEOSA-N 2 2 244.382 2.713 20 0 BFADLP Cc1ccccc1C[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257733365 634486259 /nfs/dbraw/zinc/48/62/59/634486259.db2.gz XLZPXQGNTAJNRW-INIZCTEOSA-N 2 2 244.382 2.713 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C ZINC000309463035 632099519 /nfs/dbraw/zinc/09/95/19/632099519.db2.gz OKIPLVFKVNOPLF-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C ZINC000309463035 632099524 /nfs/dbraw/zinc/09/95/24/632099524.db2.gz OKIPLVFKVNOPLF-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000235212681 632538768 /nfs/dbraw/zinc/53/87/68/632538768.db2.gz LPQIFNYKYKICOS-ZIAGYGMSSA-N 2 2 232.371 2.706 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000309663776 632627729 /nfs/dbraw/zinc/62/77/29/632627729.db2.gz GWBVQJFMMCMWBL-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000309663776 632627737 /nfs/dbraw/zinc/62/77/37/632627737.db2.gz GWBVQJFMMCMWBL-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CCCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000892413947 632653584 /nfs/dbraw/zinc/65/35/84/632653584.db2.gz NJHJUENMFKDVDE-OLZOCXBDSA-N 2 2 244.448 2.592 20 0 BFADLP CCCSC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000892413947 632653588 /nfs/dbraw/zinc/65/35/88/632653588.db2.gz NJHJUENMFKDVDE-OLZOCXBDSA-N 2 2 244.448 2.592 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000310279037 632712694 /nfs/dbraw/zinc/71/26/94/632712694.db2.gz KLBLSQPRTDZMPF-SNVBAGLBSA-N 2 2 232.327 2.520 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000310279037 632712696 /nfs/dbraw/zinc/71/26/96/632712696.db2.gz KLBLSQPRTDZMPF-SNVBAGLBSA-N 2 2 232.327 2.520 20 0 BFADLP c1cn(CCC[NH2+]C2CC3(C2)CCCC3)c[nH+]1 ZINC000924534170 632762053 /nfs/dbraw/zinc/76/20/53/632762053.db2.gz ODHIKYSTCAPINJ-UHFFFAOYSA-N 2 2 233.359 2.586 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000235530455 632778270 /nfs/dbraw/zinc/77/82/70/632778270.db2.gz LPQIFNYKYKICOS-KBPBESRZSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000235530631 632778367 /nfs/dbraw/zinc/77/83/67/632778367.db2.gz QXSPKFAVWOCXDU-GWCFXTLKSA-N 2 2 238.762 2.743 20 0 BFADLP CC[NH+](CC)CC[NH2+]C1CC2(C1)CCCC2 ZINC000924543208 632795929 /nfs/dbraw/zinc/79/59/29/632795929.db2.gz QLAZGEFNEWEBBN-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP [NH3+][C@@H](C[NH2+]C1CCCCC1)c1ccccc1 ZINC000040397727 633751288 /nfs/dbraw/zinc/75/12/88/633751288.db2.gz WOLJCEZDYCOBCB-AWEZNQCLSA-N 2 2 218.344 2.609 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925605106 634134949 /nfs/dbraw/zinc/13/49/49/634134949.db2.gz PCZJACSTEQXETE-ZGKBOVNRSA-N 2 2 232.371 2.853 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC[C@H]1C ZINC000053343145 634169459 /nfs/dbraw/zinc/16/94/59/634169459.db2.gz BKNFEZXMPBUOMT-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC[C@H]1C ZINC000053343145 634169463 /nfs/dbraw/zinc/16/94/63/634169463.db2.gz BKNFEZXMPBUOMT-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[C@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000053344192 634170541 /nfs/dbraw/zinc/17/05/41/634170541.db2.gz PESCZTPBWPUDCK-ZDUSSCGKSA-N 2 2 214.397 2.885 20 0 BFADLP CCCCC[C@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000053344192 634170543 /nfs/dbraw/zinc/17/05/43/634170543.db2.gz PESCZTPBWPUDCK-ZDUSSCGKSA-N 2 2 214.397 2.885 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc[nH]1 ZINC000925642519 634191619 /nfs/dbraw/zinc/19/16/19/634191619.db2.gz AFYMTTDVVVIJEI-QEJZJMRPSA-N 2 2 247.386 2.682 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc[nH]1 ZINC000925642519 634191624 /nfs/dbraw/zinc/19/16/24/634191624.db2.gz AFYMTTDVVVIJEI-QEJZJMRPSA-N 2 2 247.386 2.682 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc[nH]1 ZINC000925642516 634192205 /nfs/dbraw/zinc/19/22/05/634192205.db2.gz AFYMTTDVVVIJEI-AEGPPILISA-N 2 2 247.386 2.682 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc[nH]1 ZINC000925642516 634192212 /nfs/dbraw/zinc/19/22/12/634192212.db2.gz AFYMTTDVVVIJEI-AEGPPILISA-N 2 2 247.386 2.682 20 0 BFADLP CC(C)c1ccc(C[NH+]2CCC[C@H]2C[NH3+])cc1 ZINC000034957515 636275749 /nfs/dbraw/zinc/27/57/49/636275749.db2.gz AEBTWQHLLWGUGK-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC000034991929 636351807 /nfs/dbraw/zinc/35/18/07/636351807.db2.gz VISKBXPEMKRASX-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1ccc(C)c(C)c1 ZINC000034991929 636351814 /nfs/dbraw/zinc/35/18/14/636351814.db2.gz VISKBXPEMKRASX-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP c1cn(CCCC[NH2+]C2CC3(C2)CCCC3)c[nH+]1 ZINC000924730677 637039836 /nfs/dbraw/zinc/03/98/36/637039836.db2.gz GIPCTAIXQXLPAY-UHFFFAOYSA-N 2 2 247.386 2.976 20 0 BFADLP Cc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)CC2 ZINC000924790384 637366518 /nfs/dbraw/zinc/36/65/18/637366518.db2.gz FUUOGIJLQABCPH-CABCVRRESA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)CC2 ZINC000924790384 637366522 /nfs/dbraw/zinc/36/65/22/637366522.db2.gz FUUOGIJLQABCPH-CABCVRRESA-N 2 2 244.382 2.666 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903868092 637386385 /nfs/dbraw/zinc/38/63/85/637386385.db2.gz VRIJTLCODMZTDB-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)cc1 ZINC000903868092 637386388 /nfs/dbraw/zinc/38/63/88/637386388.db2.gz VRIJTLCODMZTDB-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP C[NH2+]Cc1ccc(-c2cc[nH+]c(N(C)C)c2)cc1 ZINC000904848553 637505160 /nfs/dbraw/zinc/50/51/60/637505160.db2.gz DCMKUNNQFKCBSB-UHFFFAOYSA-N 2 2 241.338 2.534 20 0 BFADLP C[NH2+]Cc1cccc(-c2cc[nH+]c(N(C)C)c2)c1 ZINC000904850315 637506861 /nfs/dbraw/zinc/50/68/61/637506861.db2.gz VNUFFUFNYFQEGE-UHFFFAOYSA-N 2 2 241.338 2.534 20 0 BFADLP Cc1[nH+]cc(-c2ccc(C[NH+](C)C)s2)n1C ZINC000904864209 637512219 /nfs/dbraw/zinc/51/22/19/637512219.db2.gz CXFBQWQQRYRFRB-UHFFFAOYSA-N 2 2 235.356 2.519 20 0 BFADLP CCCC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000906534477 638202110 /nfs/dbraw/zinc/20/21/10/638202110.db2.gz QNQMEEQNDUJVMK-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP CCCC[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000906534477 638202113 /nfs/dbraw/zinc/20/21/13/638202113.db2.gz QNQMEEQNDUJVMK-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@@H](c1ccccn1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931356926 640170762 /nfs/dbraw/zinc/17/07/62/640170762.db2.gz QBIFZUXXXOAPSA-ZDUSSCGKSA-N 2 2 247.386 2.559 20 0 BFADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000931718322 640336895 /nfs/dbraw/zinc/33/68/95/640336895.db2.gz OPFVXDFFRSSCMD-DGADGQDISA-N 2 2 248.414 2.591 20 0 BFADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000931718322 640336903 /nfs/dbraw/zinc/33/69/03/640336903.db2.gz OPFVXDFFRSSCMD-DGADGQDISA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000931718322 640336908 /nfs/dbraw/zinc/33/69/08/640336908.db2.gz OPFVXDFFRSSCMD-DGADGQDISA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000931718322 640336916 /nfs/dbraw/zinc/33/69/16/640336916.db2.gz OPFVXDFFRSSCMD-DGADGQDISA-N 2 2 248.414 2.591 20 0 BFADLP Cl/C=C\C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255266227 642323653 /nfs/dbraw/zinc/32/36/53/642323653.db2.gz QRCNEHHQSMTDCM-RYWCDNDXSA-N 2 2 242.794 2.547 20 0 BFADLP Cl/C=C\C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255266227 642323660 /nfs/dbraw/zinc/32/36/60/642323660.db2.gz QRCNEHHQSMTDCM-RYWCDNDXSA-N 2 2 242.794 2.547 20 0 BFADLP Cl/C=C\C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255266224 642324333 /nfs/dbraw/zinc/32/43/33/642324333.db2.gz QRCNEHHQSMTDCM-AGLBCWCQSA-N 2 2 242.794 2.547 20 0 BFADLP Cl/C=C\C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000255266224 642324337 /nfs/dbraw/zinc/32/43/37/642324337.db2.gz QRCNEHHQSMTDCM-AGLBCWCQSA-N 2 2 242.794 2.547 20 0 BFADLP CCc1ccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415132632 644886593 /nfs/dbraw/zinc/88/65/93/644886593.db2.gz CSKGHVUBEJKAEW-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1ccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)cc1 ZINC000415132632 644886598 /nfs/dbraw/zinc/88/65/98/644886598.db2.gz CSKGHVUBEJKAEW-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1C ZINC000415140086 644886779 /nfs/dbraw/zinc/88/67/79/644886779.db2.gz SIPUBSQMLXGQBV-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1C ZINC000415140086 644886782 /nfs/dbraw/zinc/88/67/82/644886782.db2.gz SIPUBSQMLXGQBV-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@@H]34)[C@@H]12 ZINC000926639988 645328276 /nfs/dbraw/zinc/32/82/76/645328276.db2.gz TWBGRVBVOGKUQB-JKJDWNRSSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@@H]34)[C@@H]12 ZINC000926639988 645328285 /nfs/dbraw/zinc/32/82/85/645328285.db2.gz TWBGRVBVOGKUQB-JKJDWNRSSA-N 2 2 248.414 2.782 20 0 BFADLP C1=C(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000926717986 645382075 /nfs/dbraw/zinc/38/20/75/645382075.db2.gz XZBYFSUWGXNLMC-HUUCEWRRSA-N 2 2 234.387 2.703 20 0 BFADLP C1=C(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCC1 ZINC000926717986 645382078 /nfs/dbraw/zinc/38/20/78/645382078.db2.gz XZBYFSUWGXNLMC-HUUCEWRRSA-N 2 2 234.387 2.703 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccns1 ZINC000924616709 646079000 /nfs/dbraw/zinc/07/90/00/646079000.db2.gz GLYGDVOUVREUDB-LLVKDONJSA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccns1 ZINC000924616709 646079006 /nfs/dbraw/zinc/07/90/06/646079006.db2.gz GLYGDVOUVREUDB-LLVKDONJSA-N 2 2 241.404 2.524 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000924747576 646097612 /nfs/dbraw/zinc/09/76/12/646097612.db2.gz KTLWCNIDIHSPRX-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000924747576 646097618 /nfs/dbraw/zinc/09/76/18/646097618.db2.gz KTLWCNIDIHSPRX-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cccc2c1[C@H]([NH2+]C[C@H](C)[NH+](C)C)CC2 ZINC000924957061 646142923 /nfs/dbraw/zinc/14/29/23/646142923.db2.gz JUESONIOJIFADN-GXTWGEPZSA-N 2 2 232.371 2.522 20 0 BFADLP C1=CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925436679 646281748 /nfs/dbraw/zinc/28/17/48/646281748.db2.gz GGONEYFTJYYVPT-KKUMJFAQSA-N 2 2 234.387 2.702 20 0 BFADLP C1=CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925436679 646281750 /nfs/dbraw/zinc/28/17/50/646281750.db2.gz GGONEYFTJYYVPT-KKUMJFAQSA-N 2 2 234.387 2.702 20 0 BFADLP CC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000925498957 646303936 /nfs/dbraw/zinc/30/39/36/646303936.db2.gz ULJLSIAGFCEQGZ-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000925498957 646303941 /nfs/dbraw/zinc/30/39/41/646303941.db2.gz ULJLSIAGFCEQGZ-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC/C=C\C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925679812 646406311 /nfs/dbraw/zinc/40/63/11/646406311.db2.gz FQLOVBSRFCOAJC-WLGFFRLASA-N 2 2 218.344 2.631 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000925711323 646436541 /nfs/dbraw/zinc/43/65/41/646436541.db2.gz ZXTIZEMLWGOHTH-FZMZJTMJSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000925711321 646436848 /nfs/dbraw/zinc/43/68/48/646436848.db2.gz ZXTIZEMLWGOHTH-BXUZGUMPSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1cc(N[C@H](C)[C@H]2CCCC[NH2+]2)c[nH+]c1C ZINC000925770998 646470432 /nfs/dbraw/zinc/47/04/32/646470432.db2.gz YOFKOEGOJWDTOO-TZMCWYRMSA-N 2 2 233.359 2.641 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925786398 646482719 /nfs/dbraw/zinc/48/27/19/646482719.db2.gz OIZLYJCFQYEUHH-VHDGCEQUSA-N 2 2 232.371 2.725 20 0 BFADLP CC(C)(C)[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000926223765 646597334 /nfs/dbraw/zinc/59/73/34/646597334.db2.gz DMCIFGZJDZAYGU-TZMCWYRMSA-N 2 2 247.386 2.612 20 0 BFADLP CC(C)(C)[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000926450514 646641894 /nfs/dbraw/zinc/64/18/94/646641894.db2.gz OACBBWCBNWIRGA-BXUZGUMPSA-N 2 2 247.386 2.681 20 0 BFADLP CCCCC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037156867 712549473 /nfs/dbraw/zinc/54/94/73/712549473.db2.gz DNHRUBVJJOKZMI-STQMWFEESA-N 2 2 223.364 2.830 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000381331895 710623764 /nfs/dbraw/zinc/62/37/64/710623764.db2.gz UFEJZOQIJUTWLB-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000381455539 710638896 /nfs/dbraw/zinc/63/88/96/710638896.db2.gz JGURZIJFMCGEMH-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000381455539 710638898 /nfs/dbraw/zinc/63/88/98/710638898.db2.gz JGURZIJFMCGEMH-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000381514526 710650522 /nfs/dbraw/zinc/65/05/22/710650522.db2.gz RYTOGLUYDIZBQI-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cscc2Cl)C1 ZINC000381678608 710670201 /nfs/dbraw/zinc/67/02/01/710670201.db2.gz XRCUSXYSCXOEHD-SECBINFHSA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cscc2Cl)C1 ZINC000381678608 710670205 /nfs/dbraw/zinc/67/02/05/710670205.db2.gz XRCUSXYSCXOEHD-SECBINFHSA-N 2 2 244.791 2.572 20 0 BFADLP CCC1(CC)CC[NH+](C[C@H]([NH3+])CC(F)F)CC1 ZINC000383330096 710980109 /nfs/dbraw/zinc/98/01/09/710980109.db2.gz GOVWVHQTQZJIHL-LLVKDONJSA-N 2 2 248.361 2.871 20 0 BFADLP C[C@H](c1cccs1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000390061275 711104669 /nfs/dbraw/zinc/10/46/69/711104669.db2.gz UMBZICMCQAITEB-RKDXNWHRSA-N 2 2 248.342 2.723 20 0 BFADLP C[C@H](c1cccs1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000390061275 711104671 /nfs/dbraw/zinc/10/46/71/711104671.db2.gz UMBZICMCQAITEB-RKDXNWHRSA-N 2 2 248.342 2.723 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723569635 711518332 /nfs/dbraw/zinc/51/83/32/711518332.db2.gz TXNPDVUZUWQYJM-OLZOCXBDSA-N 2 2 233.359 2.584 20 0 BFADLP c1cn(CCCC[NH2+][C@H]2CCCC3(CC3)C2)c[nH+]1 ZINC000723600600 711523325 /nfs/dbraw/zinc/52/33/25/711523325.db2.gz UMWLBNIYZHVOCT-AWEZNQCLSA-N 2 2 247.386 2.976 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)C(C)(C)C)n1C ZINC000701637279 712025920 /nfs/dbraw/zinc/02/59/20/712025920.db2.gz KMWCNXCGZKZLGE-SNVBAGLBSA-N 2 2 223.364 2.500 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)C1(Cl)CC1 ZINC000702265194 712040865 /nfs/dbraw/zinc/04/08/65/712040865.db2.gz YGTYYGLHUWMYEB-NEPJUHHUSA-N 2 2 246.826 2.712 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[NH+]1CCCCC1 ZINC000378918141 712367883 /nfs/dbraw/zinc/36/78/83/712367883.db2.gz BGZJGCWKPLMMJF-KBXIAJHMSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156486 712549633 /nfs/dbraw/zinc/54/96/33/712549633.db2.gz TYPWABHRTKXTHA-NWDGAFQWSA-N 2 2 223.364 2.686 20 0 BFADLP CC(C)C[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153950 712549691 /nfs/dbraw/zinc/54/96/91/712549691.db2.gz OOHMXFVNGCLHNU-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCCCC2CC2)C[N@@H+]1C1CC1 ZINC000716357682 712556252 /nfs/dbraw/zinc/55/62/52/712556252.db2.gz JCMZWAPIDFZLNL-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCCCC2CC2)C[N@H+]1C1CC1 ZINC000716357682 712556253 /nfs/dbraw/zinc/55/62/53/712556253.db2.gz JCMZWAPIDFZLNL-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[NH+]1CCC([NH2+]Cc2cc(C)co2)CC1 ZINC000718025510 712736514 /nfs/dbraw/zinc/73/65/14/712736514.db2.gz FMBYWUNEUHWBKN-UHFFFAOYSA-N 2 2 236.359 2.552 20 0 BFADLP Cc1coc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000718095630 712743045 /nfs/dbraw/zinc/74/30/45/712743045.db2.gz WIVGBSOJQHXASS-CHWSQXEVSA-N 2 2 236.359 2.550 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028214 712799539 /nfs/dbraw/zinc/79/95/39/712799539.db2.gz OCAJZKMPGMUAIA-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C(C)C ZINC000038029031 712800020 /nfs/dbraw/zinc/80/00/20/712800020.db2.gz WVLQXVKJRKTEGY-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[NH+](C)C ZINC000038087667 712806885 /nfs/dbraw/zinc/80/68/85/712806885.db2.gz JCMJTGFLOVZTOV-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP CCCCCC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000038087898 712806994 /nfs/dbraw/zinc/80/69/94/712806994.db2.gz RMWKUNMMLJTWDT-STQMWFEESA-N 2 2 214.397 2.885 20 0 BFADLP Cc1cc(C[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c(C)s1 ZINC000720760977 712864083 /nfs/dbraw/zinc/86/40/83/712864083.db2.gz WPHLQIRXHRHFDG-LBPRGKRZSA-N 2 2 238.400 2.534 20 0 BFADLP Cc1cc(C[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c(C)s1 ZINC000720760977 712864085 /nfs/dbraw/zinc/86/40/85/712864085.db2.gz WPHLQIRXHRHFDG-LBPRGKRZSA-N 2 2 238.400 2.534 20 0 BFADLP CCCC[C@H](C)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001255326396 970101146 /nfs/dbraw/zinc/10/11/46/970101146.db2.gz QPIYTULQWYOFHI-NSHDSACASA-N 2 2 221.348 2.586 20 0 BFADLP CCCC[C@H](C)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001255326396 970101157 /nfs/dbraw/zinc/10/11/57/970101157.db2.gz QPIYTULQWYOFHI-NSHDSACASA-N 2 2 221.348 2.586 20 0 BFADLP Cc1[nH+]cn(C2CCCCCC2)c1CC[NH3+] ZINC001255878755 970538176 /nfs/dbraw/zinc/53/81/76/970538176.db2.gz JDCRVTIDJAOFGA-UHFFFAOYSA-N 2 2 221.348 2.588 20 0 BFADLP CC[C@@H]1CC[C@H]([N@H+](CC)C2CC[NH+](C)CC2)C1 ZINC001173276721 975229746 /nfs/dbraw/zinc/22/97/46/975229746.db2.gz DLAJRNPPRFCZPR-HIFRSBDPSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@@H]1CC[C@H]([N@@H+](CC)C2CC[NH+](C)CC2)C1 ZINC001173276721 975229755 /nfs/dbraw/zinc/22/97/55/975229755.db2.gz DLAJRNPPRFCZPR-HIFRSBDPSA-N 2 2 238.419 2.981 20 0 BFADLP CCc1cc(C[N@H+](CC)CC[NH3+])ccc1Cl ZINC001236142977 979407433 /nfs/dbraw/zinc/40/74/33/979407433.db2.gz CQAYELMCNNPBRD-UHFFFAOYSA-N 2 2 240.778 2.683 20 0 BFADLP CCc1cc(C[N@@H+](CC)CC[NH3+])ccc1Cl ZINC001236142977 979407437 /nfs/dbraw/zinc/40/74/37/979407437.db2.gz CQAYELMCNNPBRD-UHFFFAOYSA-N 2 2 240.778 2.683 20 0 BFADLP Cc1ccsc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236199045 979440143 /nfs/dbraw/zinc/44/01/43/979440143.db2.gz CSKSAXCZLDHWJX-ZDUSSCGKSA-N 2 2 238.400 2.630 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2ccsc2c1 ZINC001236903839 979788045 /nfs/dbraw/zinc/78/80/45/979788045.db2.gz HBPLQKNPUAFVPA-JTQLQIEISA-N 2 2 234.368 2.680 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ccsc2c1 ZINC001236903839 979788053 /nfs/dbraw/zinc/78/80/53/979788053.db2.gz HBPLQKNPUAFVPA-JTQLQIEISA-N 2 2 234.368 2.680 20 0 BFADLP CC[C@@H](C)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201516829 983315690 /nfs/dbraw/zinc/31/56/90/983315690.db2.gz DCUKAMROMXBJHQ-CYBMUJFWSA-N 2 2 226.408 2.837 20 0 BFADLP CC[C@@H](C)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201516829 983315696 /nfs/dbraw/zinc/31/56/96/983315696.db2.gz DCUKAMROMXBJHQ-CYBMUJFWSA-N 2 2 226.408 2.837 20 0 BFADLP CC[N@H+](CCC(C)(C)C)C1CC[NH+](C)CC1 ZINC001202086525 983553261 /nfs/dbraw/zinc/55/32/61/983553261.db2.gz CPZQTXXTVUDCQL-UHFFFAOYSA-N 2 2 226.408 2.839 20 0 BFADLP CC[N@@H+](CCC(C)(C)C)C1CC[NH+](C)CC1 ZINC001202086525 983553280 /nfs/dbraw/zinc/55/32/80/983553280.db2.gz CPZQTXXTVUDCQL-UHFFFAOYSA-N 2 2 226.408 2.839 20 0 BFADLP CC[C@H](CC(C)C)[NH2+]CCOc1cc[nH+]cc1 ZINC001172401807 974764497 /nfs/dbraw/zinc/76/44/97/974764497.db2.gz OTIPTUOCZAERRR-CYBMUJFWSA-N 2 2 236.359 2.875 20 0 BFADLP C[C@@H]1CC[N@@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603669 970872646 /nfs/dbraw/zinc/87/26/46/970872646.db2.gz IRKLOGTUUZTEQN-CQSZACIVSA-N 2 2 244.382 2.745 20 0 BFADLP C[C@@H]1CC[N@H+]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001256603669 970872650 /nfs/dbraw/zinc/87/26/50/970872650.db2.gz IRKLOGTUUZTEQN-CQSZACIVSA-N 2 2 244.382 2.745 20 0 BFADLP CNc1cc(Nc2cc(C)[nH+]c(OC)c2)cc[nH+]1 ZINC001216333596 971046189 /nfs/dbraw/zinc/04/61/89/971046189.db2.gz ANVVXJYSDQIERQ-UHFFFAOYSA-N 2 2 244.298 2.579 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C2CCC2)C1 ZINC001257249747 971143453 /nfs/dbraw/zinc/14/34/53/971143453.db2.gz AVBCYRXZCUEBGY-OLZOCXBDSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](C2CCC2)C1 ZINC001257249747 971143460 /nfs/dbraw/zinc/14/34/60/971143460.db2.gz AVBCYRXZCUEBGY-OLZOCXBDSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@H](CC)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001257272611 971170554 /nfs/dbraw/zinc/17/05/54/971170554.db2.gz YDXUCJSCBIXZNM-IHRRRGAJSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](CC)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001257272611 971170557 /nfs/dbraw/zinc/17/05/57/971170557.db2.gz YDXUCJSCBIXZNM-IHRRRGAJSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](CC)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001257272611 971170561 /nfs/dbraw/zinc/17/05/61/971170561.db2.gz YDXUCJSCBIXZNM-IHRRRGAJSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](CC)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001257272611 971170565 /nfs/dbraw/zinc/17/05/65/971170565.db2.gz YDXUCJSCBIXZNM-IHRRRGAJSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001257300874 971187403 /nfs/dbraw/zinc/18/74/03/971187403.db2.gz KLWVXKCKLBHAOO-UHFFFAOYSA-N 2 2 221.348 2.709 20 0 BFADLP CCC[C@H](C)CC[C@@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001257469888 971394684 /nfs/dbraw/zinc/39/46/84/971394684.db2.gz BUOSHMCCUHLNGN-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CCCCC[C@H](C)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257511855 971432492 /nfs/dbraw/zinc/43/24/92/971432492.db2.gz JVJOACRBXOTGEK-LBPRGKRZSA-N 2 2 235.375 2.976 20 0 BFADLP CCCCC[C@H](C)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257511855 971432498 /nfs/dbraw/zinc/43/24/98/971432498.db2.gz JVJOACRBXOTGEK-LBPRGKRZSA-N 2 2 235.375 2.976 20 0 BFADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@H](F)C2)CC1 ZINC001258014608 971559516 /nfs/dbraw/zinc/55/95/16/971559516.db2.gz ORLGNGPVKIZLPD-ZDUSSCGKSA-N 2 2 242.382 2.541 20 0 BFADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@H](F)C2)CC1 ZINC001258014608 971559531 /nfs/dbraw/zinc/55/95/31/971559531.db2.gz ORLGNGPVKIZLPD-ZDUSSCGKSA-N 2 2 242.382 2.541 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC001258051205 971574529 /nfs/dbraw/zinc/57/45/29/971574529.db2.gz CGHYUTNYOSUDPG-UONOGXRCSA-N 2 2 237.391 2.934 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716744 971638858 /nfs/dbraw/zinc/63/88/58/971638858.db2.gz WFOOQXPIHKZFCR-BTTYYORXSA-N 2 2 238.419 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170716744 971638863 /nfs/dbraw/zinc/63/88/63/971638863.db2.gz WFOOQXPIHKZFCR-BTTYYORXSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cc(-c2ccccc2C2([NH3+])CC2)c[nH+]c1N ZINC001245538906 971855405 /nfs/dbraw/zinc/85/54/05/971855405.db2.gz ACXQIELURMSPAU-UHFFFAOYSA-N 2 2 239.322 2.587 20 0 BFADLP [NH3+][C@H](C[NH+]1C[C@@H]2CCCC[C@H]2C1)c1ccccc1 ZINC000311071758 971990136 /nfs/dbraw/zinc/99/01/36/971990136.db2.gz MGNKWZZCQCKNEP-HRCADAONSA-N 2 2 244.382 2.808 20 0 BFADLP C[C@@H]([NH3+])CCNc1[nH+]cccc1-c1ccccc1 ZINC001170889916 972038533 /nfs/dbraw/zinc/03/85/33/972038533.db2.gz YXVJIGYZBKOOQE-GFCCVEGCSA-N 2 2 241.338 2.898 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])c2ccccc2)C1 ZINC001246075707 972132079 /nfs/dbraw/zinc/13/20/79/972132079.db2.gz KCQRLZXZDSHISG-SNPRPXQTSA-N 2 2 232.371 2.855 20 0 BFADLP CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246097385 972150076 /nfs/dbraw/zinc/15/00/76/972150076.db2.gz OFYRSPXINLUIDA-MCIONIFRSA-N 2 2 244.398 2.881 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C[NH2+]1 ZINC001246205525 972217166 /nfs/dbraw/zinc/21/71/66/972217166.db2.gz UNYAYUXPZMRGCX-SMDDNHRTSA-N 2 2 244.338 2.663 20 0 BFADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246216780 972218678 /nfs/dbraw/zinc/21/86/78/972218678.db2.gz IRJDWFLTCZUTGJ-REWJHTLYSA-N 2 2 244.398 2.881 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]21 ZINC001208695758 957129309 /nfs/dbraw/zinc/12/93/09/957129309.db2.gz GNMVQGYLJYHOOO-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]21 ZINC001208695758 957129324 /nfs/dbraw/zinc/12/93/24/957129324.db2.gz GNMVQGYLJYHOOO-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]21 ZINC001208695758 957129334 /nfs/dbraw/zinc/12/93/34/957129334.db2.gz GNMVQGYLJYHOOO-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+](CCC3CCCC3)C[C@@H]21 ZINC001208695758 957129341 /nfs/dbraw/zinc/12/93/41/957129341.db2.gz GNMVQGYLJYHOOO-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[NH2+][C@H](C)C2)c1 ZINC001246409822 972314230 /nfs/dbraw/zinc/31/42/30/972314230.db2.gz CKRGKHKGIYRVPJ-HZSPNIEDSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1cccc(C[N@@H+](C)[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399027603 958490495 /nfs/dbraw/zinc/49/04/95/958490495.db2.gz KKOPJTPQQHNJSQ-DZGCQCFKSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[N@H+](C)[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399027603 958490506 /nfs/dbraw/zinc/49/05/06/958490506.db2.gz KKOPJTPQQHNJSQ-DZGCQCFKSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000724775817 959446819 /nfs/dbraw/zinc/44/68/19/959446819.db2.gz JJRUBYOFRRUCNZ-OCCSQVGLSA-N 2 2 233.359 2.873 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCC[C@H]3CCCC[C@@H]32)c[nH+]1 ZINC000724775817 959446834 /nfs/dbraw/zinc/44/68/34/959446834.db2.gz JJRUBYOFRRUCNZ-OCCSQVGLSA-N 2 2 233.359 2.873 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140799858 960583533 /nfs/dbraw/zinc/58/35/33/960583533.db2.gz ONZFUHONHAHPQG-LLVKDONJSA-N 2 2 229.327 2.937 20 0 BFADLP C[C@@H]1CCCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140799858 960583544 /nfs/dbraw/zinc/58/35/44/960583544.db2.gz ONZFUHONHAHPQG-LLVKDONJSA-N 2 2 229.327 2.937 20 0 BFADLP CC[N@H+](Cc1[nH]cc(C)c1C)C1CC[NH+](C)CC1 ZINC001140860441 960642547 /nfs/dbraw/zinc/64/25/47/960642547.db2.gz SJCGPDQROMLSHF-UHFFFAOYSA-N 2 2 249.402 2.548 20 0 BFADLP CC[N@@H+](Cc1[nH]cc(C)c1C)C1CC[NH+](C)CC1 ZINC001140860441 960642555 /nfs/dbraw/zinc/64/25/55/960642555.db2.gz SJCGPDQROMLSHF-UHFFFAOYSA-N 2 2 249.402 2.548 20 0 BFADLP c1cn2ccc(C[N@@H+]3CCCCC34CC4)cc2[nH+]1 ZINC001141046857 960834851 /nfs/dbraw/zinc/83/48/51/960834851.db2.gz SHUOFLUCEBUVBQ-UHFFFAOYSA-N 2 2 241.338 2.853 20 0 BFADLP c1cn2ccc(C[N@H+]3CCCCC34CC4)cc2[nH+]1 ZINC001141046857 960834854 /nfs/dbraw/zinc/83/48/54/960834854.db2.gz SHUOFLUCEBUVBQ-UHFFFAOYSA-N 2 2 241.338 2.853 20 0 BFADLP CCCCc1[nH]c(C[NH+]2CC3CC(C3)C2)c[nH+]1 ZINC001141071131 960863833 /nfs/dbraw/zinc/86/38/33/960863833.db2.gz CPDDNWASKWPKNQ-UHFFFAOYSA-N 2 2 233.359 2.594 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710847105 962495009 /nfs/dbraw/zinc/49/50/09/962495009.db2.gz FZWUGPVTTZWFAI-XGUBFFRZSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710847105 962495000 /nfs/dbraw/zinc/49/50/00/962495000.db2.gz FZWUGPVTTZWFAI-XGUBFFRZSA-N 2 2 236.403 2.639 20 0 BFADLP [NH3+][C@@H]1CCC[C@@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC001154975470 962928104 /nfs/dbraw/zinc/92/81/04/962928104.db2.gz HSBOBWVUWGXSBB-ZIAGYGMSSA-N 2 2 241.338 2.917 20 0 BFADLP Cc1cccc2c(C)cc(NC/C=C/C[NH3+])[nH+]c12 ZINC001160976616 964466806 /nfs/dbraw/zinc/46/68/06/964466806.db2.gz CCDSSDDGWQLJQU-ONEGZZNKSA-N 2 2 241.338 2.778 20 0 BFADLP Cc1ccc2c(cc[nH+]c2NCC[NH+](C)C)c1 ZINC001161666412 964674314 /nfs/dbraw/zinc/67/43/14/964674314.db2.gz MTSIOZLYYAPKLO-UHFFFAOYSA-N 2 2 229.327 2.517 20 0 BFADLP Cc1c[nH+]c(NC2C[NH+](C(C)(C)C)C2)cc1C ZINC001162226451 964883463 /nfs/dbraw/zinc/88/34/63/964883463.db2.gz SMJFNYCPBMHKSM-UHFFFAOYSA-N 2 2 233.359 2.593 20 0 BFADLP C[C@@]1([NH3+])C[C@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC001162324819 964930972 /nfs/dbraw/zinc/93/09/72/964930972.db2.gz HYRUXKNOHNXZMY-XBXGTLAGSA-N 2 2 227.311 2.527 20 0 BFADLP c1cn(-c2ccc(C[NH2+][C@H]3C=CCC3)cc2)c[nH+]1 ZINC000698188340 965092188 /nfs/dbraw/zinc/09/21/88/965092188.db2.gz BNZGTTWJHKOEEJ-AWEZNQCLSA-N 2 2 239.322 2.681 20 0 BFADLP Cc1cc[nH+]cc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165279088 966024680 /nfs/dbraw/zinc/02/46/80/966024680.db2.gz PKCNCSKJIJBMAL-ZDUSSCGKSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1cc[nH+]cc1NCC[C@@H]1CCC[N@H+](C)C1 ZINC001165279088 966024696 /nfs/dbraw/zinc/02/46/96/966024696.db2.gz PKCNCSKJIJBMAL-ZDUSSCGKSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1c[nH+]c(C)c(Nc2cc[nH+]c(C)c2)c1 ZINC001203653451 966720774 /nfs/dbraw/zinc/72/07/74/966720774.db2.gz OQSVQLCWHFCSPE-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP CC(C)[N@H+](Cc1ccoc1)C1CC[NH+](C)CC1 ZINC001204244494 966943031 /nfs/dbraw/zinc/94/30/31/966943031.db2.gz IQALRRCSSJENFM-UHFFFAOYSA-N 2 2 236.359 2.584 20 0 BFADLP CC(C)[N@@H+](Cc1ccoc1)C1CC[NH+](C)CC1 ZINC001204244494 966943033 /nfs/dbraw/zinc/94/30/33/966943033.db2.gz IQALRRCSSJENFM-UHFFFAOYSA-N 2 2 236.359 2.584 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cc(C)c(C)o1 ZINC001204540767 967039321 /nfs/dbraw/zinc/03/93/21/967039321.db2.gz ZATWGRAPKWWHNA-UHFFFAOYSA-N 2 2 247.342 2.615 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cc(C)c(C)o1 ZINC001204540767 967039336 /nfs/dbraw/zinc/03/93/36/967039336.db2.gz ZATWGRAPKWWHNA-UHFFFAOYSA-N 2 2 247.342 2.615 20 0 BFADLP Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@](C)([NH3+])C2)o1 ZINC001204763599 967153485 /nfs/dbraw/zinc/15/34/85/967153485.db2.gz MUHSLZFLFGWAHE-FZMZJTMJSA-N 2 2 236.359 2.505 20 0 BFADLP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@](C)([NH3+])C2)o1 ZINC001204763599 967153501 /nfs/dbraw/zinc/15/35/01/967153501.db2.gz MUHSLZFLFGWAHE-FZMZJTMJSA-N 2 2 236.359 2.505 20 0 BFADLP C[C@]1([NH3+])CC[N@H+](Cc2cc3ccccc3s2)C1 ZINC001204771976 967160114 /nfs/dbraw/zinc/16/01/14/967160114.db2.gz RZNARZLRVPIGFT-AWEZNQCLSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@]1([NH3+])CC[N@@H+](Cc2cc3ccccc3s2)C1 ZINC001204771976 967160124 /nfs/dbraw/zinc/16/01/24/967160124.db2.gz RZNARZLRVPIGFT-AWEZNQCLSA-N 2 2 246.379 2.824 20 0 BFADLP CCc1ccc(C[N@@H+]2CCCC[C@H]([NH3+])C2)s1 ZINC001205931168 967889362 /nfs/dbraw/zinc/88/93/62/967889362.db2.gz HPPQEGMIJDCWGD-NSHDSACASA-N 2 2 238.400 2.624 20 0 BFADLP CCc1ccc(C[N@H+]2CCCC[C@H]([NH3+])C2)s1 ZINC001205931168 967889367 /nfs/dbraw/zinc/88/93/67/967889367.db2.gz HPPQEGMIJDCWGD-NSHDSACASA-N 2 2 238.400 2.624 20 0 BFADLP CC1=C[C@H](C)[C@H](C[N@@H+]2CC[NH2+]C[C@H](C)C2)CC1 ZINC001206269973 968188495 /nfs/dbraw/zinc/18/84/95/968188495.db2.gz ZHXZTZHDYFIZHG-KKUMJFAQSA-N 2 2 236.403 2.520 20 0 BFADLP CC1=C[C@H](C)[C@H](C[N@H+]2CC[NH2+]C[C@H](C)C2)CC1 ZINC001206269973 968188499 /nfs/dbraw/zinc/18/84/99/968188499.db2.gz ZHXZTZHDYFIZHG-KKUMJFAQSA-N 2 2 236.403 2.520 20 0 BFADLP CCc1ccc(C)[nH+]c1Nc1cc[nH+]c(N)c1 ZINC001206522692 968356362 /nfs/dbraw/zinc/35/63/62/968356362.db2.gz VSCKOIPZXNBALK-UHFFFAOYSA-N 2 2 228.299 2.673 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)n1C ZINC001206795639 968480451 /nfs/dbraw/zinc/48/04/51/968480451.db2.gz IZYPQDOUOOCQER-ZIAGYGMSSA-N 2 2 247.386 2.741 20 0 BFADLP CC[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716268941 968821064 /nfs/dbraw/zinc/82/10/64/968821064.db2.gz IKRYNQDFWZNMGX-CYBMUJFWSA-N 2 2 232.371 2.507 20 0 BFADLP CCC[C@@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716276256 968822788 /nfs/dbraw/zinc/82/27/88/968822788.db2.gz BHACPJPNRDISPK-CQSZACIVSA-N 2 2 246.398 2.897 20 0 BFADLP CC[N@H+](CC[C@H](C)SC)C1CC[NH+](C)CC1 ZINC001208144416 969065089 /nfs/dbraw/zinc/06/50/89/969065089.db2.gz XZLDSNHFDHSMCU-LBPRGKRZSA-N 2 2 244.448 2.544 20 0 BFADLP CC[N@@H+](CC[C@H](C)SC)C1CC[NH+](C)CC1 ZINC001208144416 969065100 /nfs/dbraw/zinc/06/51/00/969065100.db2.gz XZLDSNHFDHSMCU-LBPRGKRZSA-N 2 2 244.448 2.544 20 0 BFADLP Cc1cc[nH+]c(C)c1-c1ccc(C[NH3+])cc1 ZINC001241913916 969144607 /nfs/dbraw/zinc/14/46/07/969144607.db2.gz UWCCAMJWZNEHID-UHFFFAOYSA-N 2 2 212.296 2.824 20 0 BFADLP Cc1c(-c2ccc(C[NH3+])cc2)ccc2[nH+]ccn21 ZINC001241917719 969146040 /nfs/dbraw/zinc/14/60/40/969146040.db2.gz RHFLQRIUXAWHEV-UHFFFAOYSA-N 2 2 237.306 2.768 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC001169107686 969444366 /nfs/dbraw/zinc/44/43/66/969444366.db2.gz KEVIMLDYVGQKPS-DEQVHRJGSA-N 2 2 234.343 2.555 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC001169107686 969444374 /nfs/dbraw/zinc/44/43/74/969444374.db2.gz KEVIMLDYVGQKPS-DEQVHRJGSA-N 2 2 234.343 2.555 20 0 BFADLP C[C@H]1C[C@H]1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209418674 969482987 /nfs/dbraw/zinc/48/29/87/969482987.db2.gz RTAQHGRQNXQRJU-STQMWFEESA-N 2 2 246.354 2.581 20 0 BFADLP CC[NH+]1CCC([N@@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001169258117 969545211 /nfs/dbraw/zinc/54/52/11/969545211.db2.gz CNHLODAYRICEDC-UHFFFAOYSA-N 2 2 248.345 2.626 20 0 BFADLP CC[NH+]1CCC([N@H+]2Cc3ccc(F)cc3C2)CC1 ZINC001169258117 969545217 /nfs/dbraw/zinc/54/52/17/969545217.db2.gz CNHLODAYRICEDC-UHFFFAOYSA-N 2 2 248.345 2.626 20 0 BFADLP Cc1cc(Nc2ccc([NH+](C)C)c(C)c2)cc[nH+]1 ZINC001210038780 969771708 /nfs/dbraw/zinc/77/17/08/969771708.db2.gz BHPFBSTVBRXFKF-UHFFFAOYSA-N 2 2 241.338 2.930 20 0 BFADLP C(CC1CCCC1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254836668 969798498 /nfs/dbraw/zinc/79/84/98/969798498.db2.gz OAHZPKCHOJPPSD-OAHLLOKOSA-N 2 2 236.403 2.641 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254844097 969803463 /nfs/dbraw/zinc/80/34/63/969803463.db2.gz HWYVRJHNQUFOHQ-KBPBESRZSA-N 2 2 236.403 2.639 20 0 BFADLP C1CC2(C1)CCC[N@@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254866852 969814567 /nfs/dbraw/zinc/81/45/67/969814567.db2.gz CJMIYKVCYKIBQW-HNNXBMFYSA-N 2 2 248.414 2.737 20 0 BFADLP C1CC2(C1)CCC[N@H+]([C@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254866852 969814568 /nfs/dbraw/zinc/81/45/68/969814568.db2.gz CJMIYKVCYKIBQW-HNNXBMFYSA-N 2 2 248.414 2.737 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC001210518650 969924830 /nfs/dbraw/zinc/92/48/30/969924830.db2.gz HOKUHUPGUWFHGO-AWEZNQCLSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CC[NH2+][C@@H](C)CC2)c1 ZINC001210518650 969924834 /nfs/dbraw/zinc/92/48/34/969924834.db2.gz HOKUHUPGUWFHGO-AWEZNQCLSA-N 2 2 246.398 2.994 20 0 BFADLP C[NH2+]Cc1ccc(Nc2[nH+]c(C)ccc2O)cc1 ZINC001211128619 970155159 /nfs/dbraw/zinc/15/51/59/970155159.db2.gz HPVSEGLYFFFERT-UHFFFAOYSA-N 2 2 243.310 2.559 20 0 BFADLP Cn1c[nH+]cc1-c1ccc([C@H]2CCC[NH2+]2)c(F)c1 ZINC001243069762 970264933 /nfs/dbraw/zinc/26/49/33/970264933.db2.gz AEZUFFYXDABOMP-CYBMUJFWSA-N 2 2 245.301 2.651 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001170118629 970342841 /nfs/dbraw/zinc/34/28/41/970342841.db2.gz TVNONQIUOHEVHJ-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001170118629 970342863 /nfs/dbraw/zinc/34/28/63/970342863.db2.gz TVNONQIUOHEVHJ-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001170117842 970344589 /nfs/dbraw/zinc/34/45/89/970344589.db2.gz NZORXWZJJBVPSP-MGPQQGTHSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001170117842 970344603 /nfs/dbraw/zinc/34/46/03/970344603.db2.gz NZORXWZJJBVPSP-MGPQQGTHSA-N 2 2 236.403 2.782 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@@H](F)C[C@H]1C ZINC001255955596 970588312 /nfs/dbraw/zinc/58/83/12/970588312.db2.gz CQNPTPYVJYEJSX-XQQFMLRXSA-N 2 2 230.371 2.539 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@@H](F)C[C@H]1C ZINC001255955596 970588317 /nfs/dbraw/zinc/58/83/17/970588317.db2.gz CQNPTPYVJYEJSX-XQQFMLRXSA-N 2 2 230.371 2.539 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+](C)Cc1cccnc1 ZINC001255954686 970588513 /nfs/dbraw/zinc/58/85/13/970588513.db2.gz HQKXZWJWOFRRPQ-AWEZNQCLSA-N 2 2 249.402 2.634 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+](C)Cc1cccnc1 ZINC001255954686 970588524 /nfs/dbraw/zinc/58/85/24/970588524.db2.gz HQKXZWJWOFRRPQ-AWEZNQCLSA-N 2 2 249.402 2.634 20 0 BFADLP C1CC1[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001256079855 970645919 /nfs/dbraw/zinc/64/59/19/970645919.db2.gz PHKUSSCNOBWPKM-BBRMVZONSA-N 2 2 248.414 2.878 20 0 BFADLP C1CC1[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001256079855 970645929 /nfs/dbraw/zinc/64/59/29/970645929.db2.gz PHKUSSCNOBWPKM-BBRMVZONSA-N 2 2 248.414 2.878 20 0 BFADLP CC[C@H]1CCCC[C@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000401320953 970681038 /nfs/dbraw/zinc/68/10/38/970681038.db2.gz ACVGFNCMXRIUMO-KBPBESRZSA-N 2 2 235.375 2.689 20 0 BFADLP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(C)o1 ZINC001256200284 970696706 /nfs/dbraw/zinc/69/67/06/970696706.db2.gz OFVAEFCTDXHBJM-CYBMUJFWSA-N 2 2 236.359 2.723 20 0 BFADLP CC[C@@H](C)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000182629256 970725322 /nfs/dbraw/zinc/72/53/22/970725322.db2.gz YKJKTMDMUAXGCX-CYBMUJFWSA-N 2 2 247.386 2.649 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001256361209 970760544 /nfs/dbraw/zinc/76/05/44/970760544.db2.gz PEUQQXLXADDBOL-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001256361209 970760551 /nfs/dbraw/zinc/76/05/51/970760551.db2.gz PEUQQXLXADDBOL-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)CCc2ccc(C)cc2)C1 ZINC001246812859 973110357 /nfs/dbraw/zinc/11/03/57/973110357.db2.gz IXWMLRSZXZNWNW-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)CCc2ccc(C)cc2)C1 ZINC001246812859 973110382 /nfs/dbraw/zinc/11/03/82/973110382.db2.gz IXWMLRSZXZNWNW-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP CCCCC[C@H](CCC)[N@@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246914242 973442026 /nfs/dbraw/zinc/44/20/26/973442026.db2.gz BVZWCJNPUJYFHU-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[C@H](CCC)[N@H+]1C[C@@H]2C[NH2+]C[C@H]21 ZINC001246914242 973442028 /nfs/dbraw/zinc/44/20/28/973442028.db2.gz BVZWCJNPUJYFHU-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246914245 973443512 /nfs/dbraw/zinc/44/35/12/973443512.db2.gz BVZWCJNPUJYFHU-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246914245 973443526 /nfs/dbraw/zinc/44/35/26/973443526.db2.gz BVZWCJNPUJYFHU-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246912669 973454829 /nfs/dbraw/zinc/45/48/29/973454829.db2.gz ZQYKGJXQRDJADN-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246912669 973454840 /nfs/dbraw/zinc/45/48/40/973454840.db2.gz ZQYKGJXQRDJADN-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001173276789 975229104 /nfs/dbraw/zinc/22/91/04/975229104.db2.gz RYGBDCATVDOPHX-CHWSQXEVSA-N 2 2 234.343 2.629 20 0 BFADLP Cc1cc[nH+]c(C)c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001227263797 975341225 /nfs/dbraw/zinc/34/12/25/975341225.db2.gz IHENOZQCQYANQA-CYBMUJFWSA-N 2 2 234.343 2.562 20 0 BFADLP Cc1cc[nH+]c(C)c1O[C@@H]1CCC[N@H+](C)CC1 ZINC001227263797 975341227 /nfs/dbraw/zinc/34/12/27/975341227.db2.gz IHENOZQCQYANQA-CYBMUJFWSA-N 2 2 234.343 2.562 20 0 BFADLP c1cn2cc(Nc3c[nH+]c4ccccn34)ccc2[nH+]1 ZINC001174277543 976504540 /nfs/dbraw/zinc/50/45/40/976504540.db2.gz ZHOTUHOCDSNKOT-UHFFFAOYSA-N 2 2 249.277 2.726 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]CCCC(F)(F)F ZINC001335441588 977059973 /nfs/dbraw/zinc/05/99/73/977059973.db2.gz QIWZUXQOHCIVJK-UHFFFAOYSA-N 2 2 240.313 2.650 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]CCCC(F)(F)F ZINC001335441588 977059986 /nfs/dbraw/zinc/05/99/86/977059986.db2.gz QIWZUXQOHCIVJK-UHFFFAOYSA-N 2 2 240.313 2.650 20 0 BFADLP CCCC[C@@H](C)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721549902 977239097 /nfs/dbraw/zinc/23/90/97/977239097.db2.gz IJRRXDPBPNCISE-CJNGLKHVSA-N 2 2 246.398 2.951 20 0 BFADLP CCCC[C@@H](C)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721549902 977239103 /nfs/dbraw/zinc/23/91/03/977239103.db2.gz IJRRXDPBPNCISE-CJNGLKHVSA-N 2 2 246.398 2.951 20 0 BFADLP [NH3+]Cc1ccc(Nc2cccn3cc[nH+]c23)cc1 ZINC001175966859 977836253 /nfs/dbraw/zinc/83/62/53/977836253.db2.gz SEXNPNLGXVAUQG-UHFFFAOYSA-N 2 2 238.294 2.537 20 0 BFADLP Cc1cc[nH+]c(C(C)C)c1Nc1[nH]cc[nH+]1 ZINC001176082581 977879327 /nfs/dbraw/zinc/87/93/27/977879327.db2.gz DVTSMTYUBOJXCZ-UHFFFAOYSA-N 2 2 216.288 2.980 20 0 BFADLP COc1cc(Nc2cc(C)[nH+]c(C)c2)cc(C)[nH+]1 ZINC001176053451 977898697 /nfs/dbraw/zinc/89/86/97/977898697.db2.gz BRDCHZWFBRGEOP-UHFFFAOYSA-N 2 2 243.310 2.576 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001177548945 978393228 /nfs/dbraw/zinc/39/32/28/978393228.db2.gz XZGHJVBWAYLBAW-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CCc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]c1 ZINC001337892715 978552191 /nfs/dbraw/zinc/55/21/91/978552191.db2.gz LSMALQFFNJMREH-AGUYFDCRSA-N 2 2 245.370 2.681 20 0 BFADLP CCc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]c1 ZINC001337892715 978552201 /nfs/dbraw/zinc/55/22/01/978552201.db2.gz LSMALQFFNJMREH-AGUYFDCRSA-N 2 2 245.370 2.681 20 0 BFADLP C[C@H](CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21)CC(C)(C)C ZINC001235001144 978944895 /nfs/dbraw/zinc/94/48/95/978944895.db2.gz DUYWOYUTQPUKSD-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21)CC(C)(C)C ZINC001235001144 978944898 /nfs/dbraw/zinc/94/48/98/978944898.db2.gz DUYWOYUTQPUKSD-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21)CC(C)(C)C ZINC001235001143 978948642 /nfs/dbraw/zinc/94/86/42/978948642.db2.gz DUYWOYUTQPUKSD-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21)CC(C)(C)C ZINC001235001143 978948645 /nfs/dbraw/zinc/94/86/45/978948645.db2.gz DUYWOYUTQPUKSD-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP C(CC1CCCCC1)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005693 978951313 /nfs/dbraw/zinc/95/13/13/978951313.db2.gz IZCFLLHDTALVSE-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP C(CC1CCCCC1)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005693 978951314 /nfs/dbraw/zinc/95/13/14/978951314.db2.gz IZCFLLHDTALVSE-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H](CC[N@H+]1CC[C@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001235067299 978966514 /nfs/dbraw/zinc/96/65/14/978966514.db2.gz YGKBFULSGNIXPJ-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CC[N@@H+]1CC[C@]2(CC[NH2+]2)C1)CC(C)(C)C ZINC001235067299 978966510 /nfs/dbraw/zinc/96/65/10/978966510.db2.gz YGKBFULSGNIXPJ-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](CCCC1CCCCC1)C2 ZINC001235165977 978985138 /nfs/dbraw/zinc/98/51/38/978985138.db2.gz NIDZQMPPBXUKMG-LSDHHAIUSA-N 2 2 236.403 2.770 20 0 BFADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](CCCC1CCCCC1)C2 ZINC001235165977 978985140 /nfs/dbraw/zinc/98/51/40/978985140.db2.gz NIDZQMPPBXUKMG-LSDHHAIUSA-N 2 2 236.403 2.770 20 0 BFADLP C[C@@H](CC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1)CC(C)(C)C ZINC001235189243 978992361 /nfs/dbraw/zinc/99/23/61/978992361.db2.gz YMBRZRZFADKCBD-MELADBBJSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H](CC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1)CC(C)(C)C ZINC001235189243 978992367 /nfs/dbraw/zinc/99/23/67/978992367.db2.gz YMBRZRZFADKCBD-MELADBBJSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235255273 979009109 /nfs/dbraw/zinc/00/91/09/979009109.db2.gz DEOVIZPKQUOYGQ-CVEARBPZSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235255273 979009115 /nfs/dbraw/zinc/00/91/15/979009115.db2.gz DEOVIZPKQUOYGQ-CVEARBPZSA-N 2 2 244.382 2.604 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H]2CC=C(C)C2(C)C)C1 ZINC001235828406 979164986 /nfs/dbraw/zinc/16/49/86/979164986.db2.gz CDBDJMCWFANVOY-UONOGXRCSA-N 2 2 236.403 2.663 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H]2CC=C(C)C2(C)C)C1 ZINC001235828406 979164991 /nfs/dbraw/zinc/16/49/91/979164991.db2.gz CDBDJMCWFANVOY-UONOGXRCSA-N 2 2 236.403 2.663 20 0 BFADLP CC[C@@H]([NH3+])C[N@H+](C)CCc1ccccc1Cl ZINC001235839194 979169493 /nfs/dbraw/zinc/16/94/93/979169493.db2.gz MJKXNSBGVLVZDP-GFCCVEGCSA-N 2 2 240.778 2.552 20 0 BFADLP CC[C@@H]([NH3+])C[N@@H+](C)CCc1ccccc1Cl ZINC001235839194 979169499 /nfs/dbraw/zinc/16/94/99/979169499.db2.gz MJKXNSBGVLVZDP-GFCCVEGCSA-N 2 2 240.778 2.552 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235905539 979198094 /nfs/dbraw/zinc/19/80/94/979198094.db2.gz MMNUQNWYXNQFAQ-CZUORRHYSA-N 2 2 246.398 2.951 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1 ZINC001235905539 979198108 /nfs/dbraw/zinc/19/81/08/979198108.db2.gz MMNUQNWYXNQFAQ-CZUORRHYSA-N 2 2 246.398 2.951 20 0 BFADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@@H]([NH3+])C2)c(C)c1C ZINC001236170916 979425228 /nfs/dbraw/zinc/42/52/28/979425228.db2.gz MWJGCCOWQQNFHN-OAHLLOKOSA-N 2 2 246.398 2.762 20 0 BFADLP Cc1c(C)c(C)c(C[N@H+]2CC[C@@H]([NH3+])C2)c(C)c1C ZINC001236170916 979425238 /nfs/dbraw/zinc/42/52/38/979425238.db2.gz MWJGCCOWQQNFHN-OAHLLOKOSA-N 2 2 246.398 2.762 20 0 BFADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236174837 979436122 /nfs/dbraw/zinc/43/61/22/979436122.db2.gz ZNWNTRRRKDTEGO-OAHLLOKOSA-N 2 2 246.398 2.907 20 0 BFADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236174837 979436128 /nfs/dbraw/zinc/43/61/28/979436128.db2.gz ZNWNTRRRKDTEGO-OAHLLOKOSA-N 2 2 246.398 2.907 20 0 BFADLP Cc1ccsc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236199045 979440140 /nfs/dbraw/zinc/44/01/40/979440140.db2.gz CSKSAXCZLDHWJX-ZDUSSCGKSA-N 2 2 238.400 2.630 20 0 BFADLP Cc1cccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236202293 979448420 /nfs/dbraw/zinc/44/84/20/979448420.db2.gz PWWJYLXEAMQXSV-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1cccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236202293 979448425 /nfs/dbraw/zinc/44/84/25/979448425.db2.gz PWWJYLXEAMQXSV-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1C(C)C ZINC001236868483 979771844 /nfs/dbraw/zinc/77/18/44/979771844.db2.gz DQYMDKORANUKMT-AWEZNQCLSA-N 2 2 234.387 2.979 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1C(C)C ZINC001236868483 979771851 /nfs/dbraw/zinc/77/18/51/979771851.db2.gz DQYMDKORANUKMT-AWEZNQCLSA-N 2 2 234.387 2.979 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)c(F)c(C)c1 ZINC001236871012 979776734 /nfs/dbraw/zinc/77/67/34/979776734.db2.gz VYCFVUROHFJXTN-ZDUSSCGKSA-N 2 2 238.350 2.612 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)c(F)c(C)c1 ZINC001236871012 979776744 /nfs/dbraw/zinc/77/67/44/979776744.db2.gz VYCFVUROHFJXTN-ZDUSSCGKSA-N 2 2 238.350 2.612 20 0 BFADLP CCc1cccc(C)c1C[N@@H+](C)C[C@@H]([NH3+])CC ZINC001236883867 979777787 /nfs/dbraw/zinc/77/77/87/979777787.db2.gz GSBINVCLAPILHY-AWEZNQCLSA-N 2 2 234.387 2.727 20 0 BFADLP CCc1cccc(C)c1C[N@H+](C)C[C@@H]([NH3+])CC ZINC001236883867 979777797 /nfs/dbraw/zinc/77/77/97/979777797.db2.gz GSBINVCLAPILHY-AWEZNQCLSA-N 2 2 234.387 2.727 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)n1C ZINC001347385588 981065445 /nfs/dbraw/zinc/06/54/45/981065445.db2.gz IZYPQDOUOOCQER-UONOGXRCSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)n1C ZINC001347385588 981065454 /nfs/dbraw/zinc/06/54/54/981065454.db2.gz IZYPQDOUOOCQER-UONOGXRCSA-N 2 2 247.386 2.741 20 0 BFADLP Nc1cc(-c2cccc(C3([NH3+])CCC3)c2)cc[nH+]1 ZINC001241169826 982312809 /nfs/dbraw/zinc/31/28/09/982312809.db2.gz DHUUXEAZEAGTDZ-UHFFFAOYSA-N 2 2 239.322 2.669 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000080459823 982429086 /nfs/dbraw/zinc/42/90/86/982429086.db2.gz WXTJJHKIRAAGHU-HUUCEWRRSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])s1 ZINC001205804291 982562233 /nfs/dbraw/zinc/56/22/33/982562233.db2.gz MNRVGLFQSJSTIH-ZYHUDNBSSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])s1 ZINC001205804291 982562240 /nfs/dbraw/zinc/56/22/40/982562240.db2.gz MNRVGLFQSJSTIH-ZYHUDNBSSA-N 2 2 238.400 2.616 20 0 BFADLP Cn1c[nH+]cc1C1CC[NH+](C2CCCC2)CC1 ZINC001198769599 982833368 /nfs/dbraw/zinc/83/33/68/982833368.db2.gz MGGLTWAYFXVDBZ-UHFFFAOYSA-N 2 2 233.359 2.542 20 0 BFADLP CCc1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)[nH+]c1 ZINC001354071461 983136010 /nfs/dbraw/zinc/13/60/10/983136010.db2.gz RNUSDEAUSFLDFP-CYBMUJFWSA-N 2 2 245.370 2.540 20 0 BFADLP CCc1ccc(NC[C@H]2CC[N@H+](C3CC3)C2)[nH+]c1 ZINC001354071461 983136021 /nfs/dbraw/zinc/13/60/21/983136021.db2.gz RNUSDEAUSFLDFP-CYBMUJFWSA-N 2 2 245.370 2.540 20 0 BFADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001201447641 983250156 /nfs/dbraw/zinc/25/01/56/983250156.db2.gz RLLQEUMXNGXRDW-CYBMUJFWSA-N 2 2 248.370 2.889 20 0 BFADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001201447641 983250160 /nfs/dbraw/zinc/25/01/60/983250160.db2.gz RLLQEUMXNGXRDW-CYBMUJFWSA-N 2 2 248.370 2.889 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC001200837789 983394549 /nfs/dbraw/zinc/39/45/49/983394549.db2.gz GVAWXAJGICVWAE-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC001200837789 983394554 /nfs/dbraw/zinc/39/45/54/983394554.db2.gz GVAWXAJGICVWAE-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP CCCCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201744586 983448140 /nfs/dbraw/zinc/44/81/40/983448140.db2.gz LNHAVSZVVNKHSV-UHFFFAOYSA-N 2 2 226.408 2.981 20 0 BFADLP CCCCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201744586 983448148 /nfs/dbraw/zinc/44/81/48/983448148.db2.gz LNHAVSZVVNKHSV-UHFFFAOYSA-N 2 2 226.408 2.981 20 0 BFADLP CCC[N@H+](CCC[NH+](C)C)CCC(F)(F)F ZINC001202356307 983636662 /nfs/dbraw/zinc/63/66/62/983636662.db2.gz SWMRKKTWROFVCJ-UHFFFAOYSA-N 2 2 240.313 2.603 20 0 BFADLP CCC[N@@H+](CCC[NH+](C)C)CCC(F)(F)F ZINC001202356307 983636673 /nfs/dbraw/zinc/63/66/73/983636673.db2.gz SWMRKKTWROFVCJ-UHFFFAOYSA-N 2 2 240.313 2.603 20 0 BFADLP Cc1c(-c2ccc3c(c2)C[NH2+]C3)ccc2[nH+]ccn21 ZINC001242677702 984048062 /nfs/dbraw/zinc/04/80/62/984048062.db2.gz OQPPZFDMWADITB-UHFFFAOYSA-N 2 2 249.317 2.913 20 0 BFADLP Cn1c[nH+]cc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001243066932 984478177 /nfs/dbraw/zinc/47/81/77/984478177.db2.gz DJHBYXWDZIPUSF-CYBMUJFWSA-N 2 2 227.311 2.512 20 0 BFADLP Cn1c[nH+]cc1-c1cccc(C2CC[NH2+]CC2)c1 ZINC001243067912 984485591 /nfs/dbraw/zinc/48/55/91/984485591.db2.gz QRPSPLMXPJTLKE-UHFFFAOYSA-N 2 2 241.338 2.554 20 0 BFADLP CC[N@@H+](C/C=C/c1c(C)cc(C)cc1C)CC[NH3+] ZINC001577711039 984649481 /nfs/dbraw/zinc/64/94/81/984649481.db2.gz NUZJPSMEPGQYRS-VOTSOKGWSA-N 2 2 246.398 2.906 20 0 BFADLP CC[N@H+](C/C=C/c1c(C)cc(C)cc1C)CC[NH3+] ZINC001577711039 984649499 /nfs/dbraw/zinc/64/94/99/984649499.db2.gz NUZJPSMEPGQYRS-VOTSOKGWSA-N 2 2 246.398 2.906 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1cccc(CC2CCC2)c1 ZINC001577721070 984664979 /nfs/dbraw/zinc/66/49/79/984664979.db2.gz RONCPNHRFIMKQK-UHFFFAOYSA-N 2 2 246.398 2.810 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1cccc(CC2CCC2)c1 ZINC001577721070 984665010 /nfs/dbraw/zinc/66/50/10/984665010.db2.gz RONCPNHRFIMKQK-UHFFFAOYSA-N 2 2 246.398 2.810 20 0 BFADLP CCC[C@@H](CC)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001257258601 984859470 /nfs/dbraw/zinc/85/94/70/984859470.db2.gz DWQWKTGTCMVCFY-GFCCVEGCSA-N 2 2 235.375 2.631 20 0 BFADLP CCCCC[C@@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001257509635 985142730 /nfs/dbraw/zinc/14/27/30/985142730.db2.gz UKWMGYYDNARHFJ-CYBMUJFWSA-N 2 2 226.408 2.981 20 0 BFADLP CCCCC[C@@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001257509635 985142741 /nfs/dbraw/zinc/14/27/41/985142741.db2.gz UKWMGYYDNARHFJ-CYBMUJFWSA-N 2 2 226.408 2.981 20 0 BFADLP c1cn(Cc2ccc(C3=C[NH2+]CCC3)cc2)c[nH+]1 ZINC001243950404 985651809 /nfs/dbraw/zinc/65/18/09/985651809.db2.gz RLTJORJACAWISQ-UHFFFAOYSA-N 2 2 239.322 2.656 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC001460335986 985832118 /nfs/dbraw/zinc/83/21/18/985832118.db2.gz RATVTHSFYZKWDK-HZSPNIEDSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC001460335986 985832126 /nfs/dbraw/zinc/83/21/26/985832126.db2.gz RATVTHSFYZKWDK-HZSPNIEDSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@@H](CC1CC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001258472002 985938210 /nfs/dbraw/zinc/93/82/10/985938210.db2.gz IQHMUMCDTOIOCJ-LBPRGKRZSA-N 2 2 233.359 2.709 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC(C)(C)C3)C[C@H]21 ZINC001258609830 985985893 /nfs/dbraw/zinc/98/58/93/985985893.db2.gz ZTJCVARZDJUZNO-MGPQQGTHSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC(C)(C)C3)C[C@H]21 ZINC001258609830 985985901 /nfs/dbraw/zinc/98/59/01/985985901.db2.gz ZTJCVARZDJUZNO-MGPQQGTHSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC(C)(C)C3)C[C@H]21 ZINC001258609830 985985911 /nfs/dbraw/zinc/98/59/11/985985911.db2.gz ZTJCVARZDJUZNO-MGPQQGTHSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC(C)(C)C3)C[C@H]21 ZINC001258609830 985985926 /nfs/dbraw/zinc/98/59/26/985985926.db2.gz ZTJCVARZDJUZNO-MGPQQGTHSA-N 2 2 236.403 2.591 20 0 BFADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](C)[NH3+])o1 ZINC001579678278 986172702 /nfs/dbraw/zinc/17/27/02/986172702.db2.gz KCLICIUOGUTIKR-LOWVWBTDSA-N 2 2 236.359 2.708 20 0 BFADLP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](C)[NH3+])o1 ZINC001579678278 986172751 /nfs/dbraw/zinc/17/27/51/986172751.db2.gz KCLICIUOGUTIKR-LOWVWBTDSA-N 2 2 236.359 2.708 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258818043 986278186 /nfs/dbraw/zinc/27/81/86/986278186.db2.gz FVCRFSXBAHVAKQ-AAEUAGOBSA-N 2 2 233.359 2.586 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1CCC[C@H](C)C1)C2 ZINC001258818043 986278199 /nfs/dbraw/zinc/27/81/99/986278199.db2.gz FVCRFSXBAHVAKQ-AAEUAGOBSA-N 2 2 233.359 2.586 20 0 BFADLP Fc1ccc(C2([NH2+]C[C@H]3CCC[NH2+]3)CCC2)cc1 ZINC001580029305 986435390 /nfs/dbraw/zinc/43/53/90/986435390.db2.gz LZGUHEDXIBFOJG-CQSZACIVSA-N 2 2 248.345 2.547 20 0 BFADLP CNc1cc(-c2ccccc2C[NH2+]C)cc[nH+]1 ZINC001244976263 986563614 /nfs/dbraw/zinc/56/36/14/986563614.db2.gz BJBKGQVSIYHVNH-UHFFFAOYSA-N 2 2 227.311 2.510 20 0 BFADLP CC[N@H+](Cc1[nH]c(C)cc1C)C1CC[NH+](C)CC1 ZINC001137327748 986779612 /nfs/dbraw/zinc/77/96/12/986779612.db2.gz FEHNCECREMZFOO-UHFFFAOYSA-N 2 2 249.402 2.548 20 0 BFADLP CC[N@@H+](Cc1[nH]c(C)cc1C)C1CC[NH+](C)CC1 ZINC001137327748 986779625 /nfs/dbraw/zinc/77/96/25/986779625.db2.gz FEHNCECREMZFOO-UHFFFAOYSA-N 2 2 249.402 2.548 20 0 BFADLP Cc1cc(-c2cccc(C3([NH3+])CC3)c2)c[nH+]c1N ZINC001245540104 986923380 /nfs/dbraw/zinc/92/33/80/986923380.db2.gz NOTMNJJKGCXDEH-UHFFFAOYSA-N 2 2 239.322 2.587 20 0 BFADLP Cc1cc(-c2c[nH+]cc3cc[nH]c32)c[nH+]c1N ZINC001245539773 986926140 /nfs/dbraw/zinc/92/61/40/986926140.db2.gz YPTWZIMVLCQKBP-UHFFFAOYSA-N 2 2 224.267 2.516 20 0 BFADLP CCCC1CCC([NH2+][C@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246078204 987366496 /nfs/dbraw/zinc/36/64/96/987366496.db2.gz AEPIHZLXVGAFRI-HOAMVYINSA-N 2 2 242.382 2.635 20 0 BFADLP CCCC1CCC([NH2+][C@@H]2CC[NH2+]C[C@@H]2F)CC1 ZINC001246078199 987367355 /nfs/dbraw/zinc/36/73/55/987367355.db2.gz AEPIHZLXVGAFRI-CLRIEMFWSA-N 2 2 242.382 2.635 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])c2ccccc2)C1 ZINC001246081971 987376443 /nfs/dbraw/zinc/37/64/43/987376443.db2.gz UCWFPWVSRDHBSD-VHDGCEQUSA-N 2 2 232.371 2.855 20 0 BFADLP CC(C)([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246092289 987399007 /nfs/dbraw/zinc/39/90/07/987399007.db2.gz IDAVNMGZLYVIKP-AWEZNQCLSA-N 2 2 232.371 2.653 20 0 BFADLP CCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246093090 987401694 /nfs/dbraw/zinc/40/16/94/987401694.db2.gz VESOMZWMDXDBAQ-IHRRRGAJSA-N 2 2 244.398 2.881 20 0 BFADLP CCCC[C@@H](CCC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246099670 987416910 /nfs/dbraw/zinc/41/69/10/987416910.db2.gz VJSOYQZZMXQULK-XQQFMLRXSA-N 2 2 230.371 2.635 20 0 BFADLP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246101099 987423149 /nfs/dbraw/zinc/42/31/49/987423149.db2.gz YUYPIZXOAXXXRW-CRWXNKLISA-N 2 2 244.398 2.881 20 0 BFADLP CCCCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246106175 987434614 /nfs/dbraw/zinc/43/46/14/987434614.db2.gz FBWZQIYYLLUUBR-AGIUHOORSA-N 2 2 230.371 2.635 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246109162 987442232 /nfs/dbraw/zinc/44/22/32/987442232.db2.gz KMXFIFRXZOLYAA-DGAVXFQQSA-N 2 2 244.398 2.737 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246167042 987526870 /nfs/dbraw/zinc/52/68/70/987526870.db2.gz BESQMJSHVHFCTG-GDBMZVCRSA-N 2 2 246.398 2.945 20 0 BFADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246204923 987600767 /nfs/dbraw/zinc/60/07/67/987600767.db2.gz IRJDWFLTCZUTGJ-RFQIPJPRSA-N 2 2 244.398 2.881 20 0 BFADLP CC[C@@H](C)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473895601 987607242 /nfs/dbraw/zinc/60/72/42/987607242.db2.gz PNOVZZNUTDAPQB-GFCCVEGCSA-N 2 2 235.375 2.646 20 0 BFADLP CCCCCC[C@H](CC)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246219140 987617001 /nfs/dbraw/zinc/61/70/01/987617001.db2.gz FPXANNQTNAOIGZ-CBBWQLFWSA-N 2 2 238.419 2.933 20 0 BFADLP c1ccc(C2([NH2+][C@H]3CC[NH2+]C3)CCCCC2)cc1 ZINC001246230499 987628841 /nfs/dbraw/zinc/62/88/41/987628841.db2.gz MZFWAQPQJVTOEC-HNNXBMFYSA-N 2 2 244.382 2.798 20 0 BFADLP CCCc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246233219 987632243 /nfs/dbraw/zinc/63/22/43/987632243.db2.gz VJAUWOMPCLOWCR-CJNGLKHVSA-N 2 2 246.398 2.869 20 0 BFADLP Cc1ccc(C(C)(C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246237916 987637209 /nfs/dbraw/zinc/63/72/09/987637209.db2.gz JVGNMSGTRHKSFT-ZFWWWQNUSA-N 2 2 246.398 2.960 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1ccccc1 ZINC001246240091 987637469 /nfs/dbraw/zinc/63/74/69/987637469.db2.gz LHFLYCGOGPHLIQ-SNPRPXQTSA-N 2 2 232.371 2.868 20 0 BFADLP C=Cc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246238998 987639286 /nfs/dbraw/zinc/63/92/86/987639286.db2.gz XBMCRIMYXBBYMT-WFASDCNBSA-N 2 2 230.355 2.560 20 0 BFADLP CC(C)=CCC/C(C)=C/C[NH2+][C@H]1CC[NH2+]C1 ZINC001246246391 987646452 /nfs/dbraw/zinc/64/64/52/987646452.db2.gz UKCAMGMHUVKFEL-GUNGLEHYSA-N 2 2 222.376 2.631 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246298887 987693969 /nfs/dbraw/zinc/69/39/69/987693969.db2.gz DBSYDHOBTCRHMZ-RYUDHWBXSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1ccccc1C ZINC001246314752 987720180 /nfs/dbraw/zinc/72/01/80/987720180.db2.gz PUWKIIAOZJAPRB-VNHYZAJKSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)ccc1F ZINC001246318238 987724001 /nfs/dbraw/zinc/72/40/01/987724001.db2.gz RNYLCBGUCOSQRT-DGCLKSJQSA-N 2 2 236.334 2.537 20 0 BFADLP CCCC[C@@H](CCC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246337038 987744812 /nfs/dbraw/zinc/74/48/12/987744812.db2.gz QGEJPJXZZYOOMH-CHWSQXEVSA-N 2 2 244.448 2.640 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC001246388895 987779973 /nfs/dbraw/zinc/77/99/73/987779973.db2.gz NLFYERURCPXKNA-UKRRQHHQSA-N 2 2 246.398 2.960 20 0 BFADLP Fc1cccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246397803 987783343 /nfs/dbraw/zinc/78/33/43/987783343.db2.gz CGVWOGXHRBMJSX-CABCVRRESA-N 2 2 248.345 2.618 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H](CC2CC2)c2ccccc2)C[NH2+]1 ZINC001246405967 987786600 /nfs/dbraw/zinc/78/66/00/987786600.db2.gz NRZODJOACQLKNG-DAXOMENPSA-N 2 2 244.382 2.868 20 0 BFADLP Cc1cccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCC2)c1 ZINC001246413736 987790490 /nfs/dbraw/zinc/79/04/90/987790490.db2.gz PVFVHUBYSYMGRY-OAHLLOKOSA-N 2 2 244.382 2.716 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(C)cc(C)c1 ZINC001246473711 987832671 /nfs/dbraw/zinc/83/26/71/987832671.db2.gz JTJVFQANWKDYIP-CABCVRRESA-N 2 2 232.371 2.706 20 0 BFADLP CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccncc1 ZINC001246514149 987866450 /nfs/dbraw/zinc/86/64/50/987866450.db2.gz HMKJGNQQFMOKJH-VHDGCEQUSA-N 2 2 247.386 2.509 20 0 BFADLP CCCC[C@H](CC(C)C)[N@@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246586566 988143835 /nfs/dbraw/zinc/14/38/35/988143835.db2.gz RINHMVOWCLTRRW-BFHYXJOUSA-N 2 2 244.398 2.962 20 0 BFADLP CCCC[C@H](CC(C)C)[N@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246586566 988143841 /nfs/dbraw/zinc/14/38/41/988143841.db2.gz RINHMVOWCLTRRW-BFHYXJOUSA-N 2 2 244.398 2.962 20 0 BFADLP CC(C)CCC[C@@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652584 988380972 /nfs/dbraw/zinc/38/09/72/988380972.db2.gz GDSABRCMWJBVLH-HZSPNIEDSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)CCC[C@@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652584 988380982 /nfs/dbraw/zinc/38/09/82/988380982.db2.gz GDSABRCMWJBVLH-HZSPNIEDSA-N 2 2 224.392 2.624 20 0 BFADLP CCCCCC[C@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246662012 988399055 /nfs/dbraw/zinc/39/90/55/988399055.db2.gz VCGRXWYAUKQTEE-MELADBBJSA-N 2 2 224.392 2.768 20 0 BFADLP CCCCCC[C@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246662012 988399072 /nfs/dbraw/zinc/39/90/72/988399072.db2.gz VCGRXWYAUKQTEE-MELADBBJSA-N 2 2 224.392 2.768 20 0 BFADLP CCc1ccc(C[N@H+](C)[C@H]2CCCC[NH2+]C2)cc1 ZINC001246844413 988558672 /nfs/dbraw/zinc/55/86/72/988558672.db2.gz JFVMBCHWYZPRCI-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1ccc(C[N@@H+](C)[C@H]2CCCC[NH2+]C2)cc1 ZINC001246844413 988558682 /nfs/dbraw/zinc/55/86/82/988558682.db2.gz JFVMBCHWYZPRCI-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP C[C@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246868343 988625081 /nfs/dbraw/zinc/62/50/81/988625081.db2.gz LQAIZJZNDBGBBO-BBRMVZONSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@H]1Cc2ccccc2C[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246868343 988625091 /nfs/dbraw/zinc/62/50/91/988625091.db2.gz LQAIZJZNDBGBBO-BBRMVZONSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC001246907150 988690170 /nfs/dbraw/zinc/69/01/70/988690170.db2.gz ILITXWSJKMEVBR-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC001246907150 988690175 /nfs/dbraw/zinc/69/01/75/988690175.db2.gz ILITXWSJKMEVBR-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC001246907124 988691980 /nfs/dbraw/zinc/69/19/80/988691980.db2.gz ILITXWSJKMEVBR-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC001246907124 988691985 /nfs/dbraw/zinc/69/19/85/988691985.db2.gz ILITXWSJKMEVBR-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2[C@H]2CC[NH2+]C2)c1 ZINC001246946064 988779523 /nfs/dbraw/zinc/77/95/23/988779523.db2.gz ZCOVOVDRISWLJP-HOTGVXAUSA-N 2 2 244.382 2.802 20 0 BFADLP Cc1cc(C)cc([C@@H]2CCC[N@H+]2[C@H]2CC[NH2+]C2)c1 ZINC001246946064 988779534 /nfs/dbraw/zinc/77/95/34/988779534.db2.gz ZCOVOVDRISWLJP-HOTGVXAUSA-N 2 2 244.382 2.802 20 0 BFADLP C1[C@@H]2C[C@H]([N@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C[C@H]12 ZINC001246978088 988811214 /nfs/dbraw/zinc/81/12/14/988811214.db2.gz JNAXDPRQJHDHEX-LQKXBSAESA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2C[C@H]([N@@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C[C@H]12 ZINC001246978088 988811217 /nfs/dbraw/zinc/81/12/17/988811217.db2.gz JNAXDPRQJHDHEX-LQKXBSAESA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1CC[C@@H]([N@@H+]2CCc3ccccc3[C@@H]2C)C[NH2+]1 ZINC001246982757 988814914 /nfs/dbraw/zinc/81/49/14/988814914.db2.gz DAYGAUYLLIVDMG-KCQAQPDRSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@H]1CC[C@@H]([N@H+]2CCc3ccccc3[C@@H]2C)C[NH2+]1 ZINC001246982757 988814920 /nfs/dbraw/zinc/81/49/20/988814920.db2.gz DAYGAUYLLIVDMG-KCQAQPDRSA-N 2 2 244.382 2.746 20 0 BFADLP CCc1ccc(NC[C@H]2CCC[N@@H+](CC)C2)[nH+]c1 ZINC001515407755 989040560 /nfs/dbraw/zinc/04/05/60/989040560.db2.gz NGIHOSIHVCNPNQ-CQSZACIVSA-N 2 2 247.386 2.788 20 0 BFADLP CCc1ccc(NC[C@H]2CCC[N@H+](CC)C2)[nH+]c1 ZINC001515407755 989040580 /nfs/dbraw/zinc/04/05/80/989040580.db2.gz NGIHOSIHVCNPNQ-CQSZACIVSA-N 2 2 247.386 2.788 20 0 BFADLP CCc1ccc(N2CCC[C@@H]([NH+](C)C)CC2)[nH+]c1 ZINC001120926251 989970421 /nfs/dbraw/zinc/97/04/21/989970421.db2.gz BICACSCWWTVUKW-CQSZACIVSA-N 2 2 247.386 2.565 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@H]1C[C@H](C)C[C@H](C)C1)C2 ZINC001258160035 991045518 /nfs/dbraw/zinc/04/55/18/991045518.db2.gz PNBQKCHQIHEXEM-IMRBUKKESA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@H]1C[C@H](C)C[C@H](C)C1)C2 ZINC001258160035 991045529 /nfs/dbraw/zinc/04/55/29/991045529.db2.gz PNBQKCHQIHEXEM-IMRBUKKESA-N 2 2 247.386 2.832 20 0 BFADLP C[C@H]1CC([NH2+]CCOc2cc[nH+]cc2)C[C@H](C)C1 ZINC001258164158 991052906 /nfs/dbraw/zinc/05/29/06/991052906.db2.gz QVZOGRFMKOFUNM-CHWSQXEVSA-N 2 2 248.370 2.875 20 0 BFADLP CC[N@H+]([C@@H](C)CCSC)C1CC[NH+](C)CC1 ZINC001258220861 991146800 /nfs/dbraw/zinc/14/68/00/991146800.db2.gz ZREZIPDTSLRUDL-LBPRGKRZSA-N 2 2 244.448 2.544 20 0 BFADLP CC[N@@H+]([C@@H](C)CCSC)C1CC[NH+](C)CC1 ZINC001258220861 991146810 /nfs/dbraw/zinc/14/68/10/991146810.db2.gz ZREZIPDTSLRUDL-LBPRGKRZSA-N 2 2 244.448 2.544 20 0 BFADLP CSC(C)(C)C[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC001258318623 991244094 /nfs/dbraw/zinc/24/40/94/991244094.db2.gz GOXMVHDKCXLVDH-GFCCVEGCSA-N 2 2 244.448 2.592 20 0 BFADLP CCCCC[C@H](CC)[NH2+][C@H](C)C[NH+](C)C ZINC001258429460 991360225 /nfs/dbraw/zinc/36/02/25/991360225.db2.gz XMSNRJMSQIQSCK-OLZOCXBDSA-N 2 2 214.397 2.885 20 0 BFADLP C=C/C=C\CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233803 991429905 /nfs/dbraw/zinc/42/99/05/991429905.db2.gz MMGIMKSFBDMGLK-PLNGDYQASA-N 2 2 245.370 2.732 20 0 BFADLP C[C@H](CC1CC1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001258468018 991430586 /nfs/dbraw/zinc/43/05/86/991430586.db2.gz QKRNZDLVMFHLJC-YPMHNXCESA-N 2 2 233.359 2.711 20 0 BFADLP c1cn(CC[NH2+]C2CCC3(CCC3)CC2)c[nH+]1 ZINC001560247406 991442506 /nfs/dbraw/zinc/44/25/06/991442506.db2.gz BFQZHFJRIOYUIX-UHFFFAOYSA-N 2 2 233.359 2.586 20 0 BFADLP CCC[NH+]1CCC([N@@H+]2CCC[C@](C)(F)C2)CC1 ZINC001258772319 991735794 /nfs/dbraw/zinc/73/57/94/991735794.db2.gz NKMFQLJLEZMCGX-AWEZNQCLSA-N 2 2 242.382 2.685 20 0 BFADLP CCC[NH+]1CCC([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001258772319 991735804 /nfs/dbraw/zinc/73/58/04/991735804.db2.gz NKMFQLJLEZMCGX-AWEZNQCLSA-N 2 2 242.382 2.685 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001258817074 991832128 /nfs/dbraw/zinc/83/21/28/991832128.db2.gz MREMWWLRMXXSTA-STQMWFEESA-N 2 2 234.343 2.629 20 0 BFADLP C[C@@H]1CCC[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001258826196 991850712 /nfs/dbraw/zinc/85/07/12/991850712.db2.gz BQEJNPMBKZHMRI-APIJFGDWSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001258826196 991850714 /nfs/dbraw/zinc/85/07/14/991850714.db2.gz BQEJNPMBKZHMRI-APIJFGDWSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001258826196 991850732 /nfs/dbraw/zinc/85/07/32/991850732.db2.gz BQEJNPMBKZHMRI-APIJFGDWSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001258826196 991850736 /nfs/dbraw/zinc/85/07/36/991850736.db2.gz BQEJNPMBKZHMRI-APIJFGDWSA-N 2 2 236.403 2.591 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001319623725 991911822 /nfs/dbraw/zinc/91/18/22/991911822.db2.gz XDDGYHJZCQDTPL-CHWSQXEVSA-N 2 2 233.359 2.675 20 0 BFADLP Cc1cccc(N[C@H]2CCCC[C@H]2[NH+](C)C)[nH+]1 ZINC001320359922 992182627 /nfs/dbraw/zinc/18/26/27/992182627.db2.gz XVPHXRNIKLQXBL-QWHCGFSZSA-N 2 2 233.359 2.675 20 0 BFADLP C[C@@H](c1ccc(F)cc1)[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001576301658 993258918 /nfs/dbraw/zinc/25/89/18/993258918.db2.gz OTOTUDPVLOMECR-QGLTVNCISA-N 2 2 248.345 2.842 20 0 BFADLP C[C@@H](c1ccc(F)cc1)[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001576301658 993258930 /nfs/dbraw/zinc/25/89/30/993258930.db2.gz OTOTUDPVLOMECR-QGLTVNCISA-N 2 2 248.345 2.842 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1C ZINC000381615779 993409480 /nfs/dbraw/zinc/40/94/80/993409480.db2.gz QFDHRMHNOMOCQR-DZGCQCFKSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@@H]2C)cc1C ZINC000381615779 993409486 /nfs/dbraw/zinc/40/94/86/993409486.db2.gz QFDHRMHNOMOCQR-DZGCQCFKSA-N 2 2 232.371 2.615 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000385308738 993653468 /nfs/dbraw/zinc/65/34/68/993653468.db2.gz URYWFMDJDHTCQQ-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000385308738 993653482 /nfs/dbraw/zinc/65/34/82/993653482.db2.gz URYWFMDJDHTCQQ-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[C@H]([N@@H+]2CC[NH2+]C[C@@H](C)C2)CC(C)(C)C1 ZINC000385259543 993654420 /nfs/dbraw/zinc/65/44/20/993654420.db2.gz UVTUEIIBXHCCEB-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@H]([N@H+]2CC[NH2+]C[C@@H](C)C2)CC(C)(C)C1 ZINC000385259543 993654426 /nfs/dbraw/zinc/65/44/26/993654426.db2.gz UVTUEIIBXHCCEB-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP CC1(C)CC[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC000701264591 993880174 /nfs/dbraw/zinc/88/01/74/993880174.db2.gz INCOXAGHZHQDIX-OAHLLOKOSA-N 2 2 246.398 2.945 20 0 BFADLP CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccoc1 ZINC000161546229 538916829 /nfs/dbraw/zinc/91/68/29/538916829.db2.gz XTMOTUGAVWKNMA-CQSZACIVSA-N 2 2 236.359 2.586 20 0 BFADLP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccoc1 ZINC000161546229 538916831 /nfs/dbraw/zinc/91/68/31/538916831.db2.gz XTMOTUGAVWKNMA-CQSZACIVSA-N 2 2 236.359 2.586 20 0 BFADLP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccoc1 ZINC000161546229 538916833 /nfs/dbraw/zinc/91/68/33/538916833.db2.gz XTMOTUGAVWKNMA-CQSZACIVSA-N 2 2 236.359 2.586 20 0 BFADLP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccoc1 ZINC000161546229 538916835 /nfs/dbraw/zinc/91/68/35/538916835.db2.gz XTMOTUGAVWKNMA-CQSZACIVSA-N 2 2 236.359 2.586 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000161612749 349476462 /nfs/dbraw/zinc/47/64/62/349476462.db2.gz OFOZWGCEYUEUHN-QWHCGFSZSA-N 2 2 248.370 2.558 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000161612749 349476463 /nfs/dbraw/zinc/47/64/63/349476463.db2.gz OFOZWGCEYUEUHN-QWHCGFSZSA-N 2 2 248.370 2.558 20 0 BFADLP Cc1cc2ccccc2[nH+]c1NCC[C@@H](C)[NH3+] ZINC000063171388 349500992 /nfs/dbraw/zinc/50/09/92/349500992.db2.gz ZGPHISLZOLIJPY-LLVKDONJSA-N 2 2 229.327 2.692 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000533361056 398188057 /nfs/dbraw/zinc/18/80/57/398188057.db2.gz WZSAQJYAJJFWTP-BYNSBNAKSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000533361056 398188065 /nfs/dbraw/zinc/18/80/65/398188065.db2.gz WZSAQJYAJJFWTP-BYNSBNAKSA-N 2 2 238.419 2.743 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CCC1CC1 ZINC000336750773 398201721 /nfs/dbraw/zinc/20/17/21/398201721.db2.gz ZTYQLPHNYHCHKD-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CCC1CC1 ZINC000336750773 398201725 /nfs/dbraw/zinc/20/17/25/398201725.db2.gz ZTYQLPHNYHCHKD-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000386651451 398214890 /nfs/dbraw/zinc/21/48/90/398214890.db2.gz QKRLCQDGBXVJPD-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000386651451 398214894 /nfs/dbraw/zinc/21/48/94/398214894.db2.gz QKRLCQDGBXVJPD-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414128650 398217346 /nfs/dbraw/zinc/21/73/46/398217346.db2.gz UFXDJYLGMADLAE-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414128650 398217350 /nfs/dbraw/zinc/21/73/50/398217350.db2.gz UFXDJYLGMADLAE-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]C2(C3CCC3)CCC2)[C@@H](C)C1 ZINC000414174508 398219606 /nfs/dbraw/zinc/21/96/06/398219606.db2.gz HRCMHCZRSWSVDA-JSGCOSHPSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+]C2(C3CCC3)CCC2)[C@@H](C)C1 ZINC000414174508 398219609 /nfs/dbraw/zinc/21/96/09/398219609.db2.gz HRCMHCZRSWSVDA-JSGCOSHPSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]([NH2+]CC[NH+](C)C)C[C@H]1C ZINC000381121110 343987010 /nfs/dbraw/zinc/98/70/10/343987010.db2.gz IOJYOTPNCTVFTO-MCIONIFRSA-N 2 2 226.408 2.598 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367690134 168353178 /nfs/dbraw/zinc/35/31/78/168353178.db2.gz XITDLJKQJHHOBR-UKRRQHHQSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367690134 168353181 /nfs/dbraw/zinc/35/31/81/168353181.db2.gz XITDLJKQJHHOBR-UKRRQHHQSA-N 2 2 238.419 2.981 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c(C)o1 ZINC000020506065 178224660 /nfs/dbraw/zinc/22/46/60/178224660.db2.gz XQUZLIJDZAAIIR-GFCCVEGCSA-N 2 2 247.342 2.834 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)s1 ZINC000235188576 178226672 /nfs/dbraw/zinc/22/66/72/178226672.db2.gz SCQYYGNVCCUTHJ-PWSUYJOCSA-N 2 2 238.400 2.768 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cs1 ZINC000294302110 178227051 /nfs/dbraw/zinc/22/70/51/178227051.db2.gz VDSTXLYBTNKCCI-LLVKDONJSA-N 2 2 235.356 2.604 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2)cs1 ZINC000294302113 178248359 /nfs/dbraw/zinc/24/83/59/178248359.db2.gz VDSTXLYBTNKCCI-NSHDSACASA-N 2 2 235.356 2.604 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cs1 ZINC000294300491 178256220 /nfs/dbraw/zinc/25/62/20/178256220.db2.gz UYLUXUHDKKNLQQ-PWSUYJOCSA-N 2 2 249.383 2.992 20 0 BFADLP CCC(CC)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771176 168360238 /nfs/dbraw/zinc/36/02/38/168360238.db2.gz XJJZLRSLQIDFAK-UHFFFAOYSA-N 2 2 226.408 2.744 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000576544685 365623121 /nfs/dbraw/zinc/62/31/21/365623121.db2.gz RXMUBVBYQYCNSB-GJZGRUSLSA-N 2 2 246.398 2.722 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000576544685 365623128 /nfs/dbraw/zinc/62/31/28/365623128.db2.gz RXMUBVBYQYCNSB-GJZGRUSLSA-N 2 2 246.398 2.722 20 0 BFADLP CCC(CC)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000226813829 168388873 /nfs/dbraw/zinc/38/88/73/168388873.db2.gz XGNNJMTUZFIXQA-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000226813829 168388874 /nfs/dbraw/zinc/38/88/74/168388874.db2.gz XGNNJMTUZFIXQA-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037167104 168392503 /nfs/dbraw/zinc/39/25/03/168392503.db2.gz DOCHLHXOTRMRPU-CYBMUJFWSA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040671852 538972115 /nfs/dbraw/zinc/97/21/15/538972115.db2.gz NDQGFOHXXDQTQM-LSDHHAIUSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040671852 538972116 /nfs/dbraw/zinc/97/21/16/538972116.db2.gz NDQGFOHXXDQTQM-LSDHHAIUSA-N 2 2 232.371 2.822 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cscn1 ZINC000022863080 342815711 /nfs/dbraw/zinc/81/57/11/342815711.db2.gz GWBUQZAXAHFHBA-LLVKDONJSA-N 2 2 241.404 2.526 20 0 BFADLP C[NH+](C)C1(C[NH2+]C2CCC(F)(F)CC2)CCC1 ZINC000647204818 398289304 /nfs/dbraw/zinc/28/93/04/398289304.db2.gz PHFRKGAXWXDDAJ-UHFFFAOYSA-N 2 2 246.345 2.638 20 0 BFADLP CC[NH+](CC)C[C@@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000041677357 538976200 /nfs/dbraw/zinc/97/62/00/538976200.db2.gz GYOJYLYCSHVWEG-LLVKDONJSA-N 2 2 246.358 2.705 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154627119 398294877 /nfs/dbraw/zinc/29/48/77/398294877.db2.gz LFSOJRKSNLXIAX-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154627119 398294879 /nfs/dbraw/zinc/29/48/79/398294879.db2.gz LFSOJRKSNLXIAX-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc(CCNc2cc[nH+]cc2C)c[nH+]1 ZINC000192587118 538996299 /nfs/dbraw/zinc/99/62/99/538996299.db2.gz QVSWVDGMNHEKOV-UHFFFAOYSA-N 2 2 227.311 2.748 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCC13CCC3)C2 ZINC000336228126 398324171 /nfs/dbraw/zinc/32/41/71/398324171.db2.gz QAOVSRPMUKDCLV-RISCZKNCSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@H]1CCCC13CCC3)CC2 ZINC000336228126 398324172 /nfs/dbraw/zinc/32/41/72/398324172.db2.gz QAOVSRPMUKDCLV-RISCZKNCSA-N 2 2 245.370 2.579 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCCC1 ZINC000313380834 344010222 /nfs/dbraw/zinc/01/02/22/344010222.db2.gz CCTYPGJOWQRIAW-GXTWGEPZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313256551 259332141 /nfs/dbraw/zinc/33/21/41/259332141.db2.gz YTYSXHUMIWWOHH-OLZOCXBDSA-N 2 2 237.391 2.767 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@H](c2ccccc2)[C@@H]1C)[NH+](C)C ZINC000449557710 398337896 /nfs/dbraw/zinc/33/78/96/398337896.db2.gz SKBIDPFOONJCQY-SDADXPQNSA-N 2 2 246.398 2.718 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000313259872 259331974 /nfs/dbraw/zinc/33/19/74/259331974.db2.gz FYNFZKPSVFPFFQ-UONOGXRCSA-N 2 2 247.386 2.521 20 0 BFADLP Cn1c[nH+]c(CC[NH2+]C(C2CCC2)C2CCC2)c1 ZINC000313259968 259332048 /nfs/dbraw/zinc/33/20/48/259332048.db2.gz GDJFUAZTHUHGPP-UHFFFAOYSA-N 2 2 247.386 2.521 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C)C(C)(C)CC ZINC000562564109 323024312 /nfs/dbraw/zinc/02/43/12/323024312.db2.gz SUSQEQKCGLNUAX-LBPRGKRZSA-N 2 2 214.397 2.743 20 0 BFADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCCC1 ZINC000313389482 259334306 /nfs/dbraw/zinc/33/43/06/259334306.db2.gz KCKOTKYEIJVTEH-CQSZACIVSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@@H](C)[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186715 342975060 /nfs/dbraw/zinc/97/50/60/342975060.db2.gz JTHXFXIYTVGLRB-LLVKDONJSA-N 2 2 231.343 2.733 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC000019959915 342964569 /nfs/dbraw/zinc/96/45/69/342964569.db2.gz IGAVCMDQJFJTSD-ZFWWWQNUSA-N 2 2 232.371 2.822 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC000019959915 342964570 /nfs/dbraw/zinc/96/45/70/342964570.db2.gz IGAVCMDQJFJTSD-ZFWWWQNUSA-N 2 2 232.371 2.822 20 0 BFADLP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)c(C)c1 ZINC000020305154 342981040 /nfs/dbraw/zinc/98/10/40/342981040.db2.gz LNZCQUYQODVKQT-UHFFFAOYSA-N 2 2 243.354 2.680 20 0 BFADLP CCc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000400383987 529656861 /nfs/dbraw/zinc/65/68/61/529656861.db2.gz XRHVALRKMFTSFB-ZWNOBZJWSA-N 2 2 238.400 2.541 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000448032122 259349411 /nfs/dbraw/zinc/34/94/11/259349411.db2.gz WANDWUXPMNMDPE-TZMCWYRMSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000448032122 259349413 /nfs/dbraw/zinc/34/94/13/259349413.db2.gz WANDWUXPMNMDPE-TZMCWYRMSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000235188497 178493913 /nfs/dbraw/zinc/49/39/13/178493913.db2.gz LPQIFNYKYKICOS-KGLIPLIRSA-N 2 2 232.371 2.706 20 0 BFADLP c1ccc2c(c1)SCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000232473504 136270911 /nfs/dbraw/zinc/27/09/11/136270911.db2.gz UYEMFZCAOKTKQO-AAEUAGOBSA-N 2 2 248.395 2.565 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000123215608 343162035 /nfs/dbraw/zinc/16/20/35/343162035.db2.gz HQLQCTSEDJRVHV-GJZGRUSLSA-N 2 2 246.398 2.967 20 0 BFADLP C[NH2+][C@H]1CC[N@H+]([C@@H](C)c2c(C)cc(C)cc2C)C1 ZINC000123215608 343162037 /nfs/dbraw/zinc/16/20/37/343162037.db2.gz HQLQCTSEDJRVHV-GJZGRUSLSA-N 2 2 246.398 2.967 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000123215421 343162143 /nfs/dbraw/zinc/16/21/43/343162143.db2.gz HQLQCTSEDJRVHV-CABCVRRESA-N 2 2 246.398 2.967 20 0 BFADLP C[NH2+][C@H]1CC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000123215421 343162145 /nfs/dbraw/zinc/16/21/45/343162145.db2.gz HQLQCTSEDJRVHV-CABCVRRESA-N 2 2 246.398 2.967 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000126172738 343169232 /nfs/dbraw/zinc/16/92/32/343169232.db2.gz HVGUBFPXKPRPLC-SMDDNHRTSA-N 2 2 218.344 2.711 20 0 BFADLP CC(C)(C)CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602870233 349801560 /nfs/dbraw/zinc/80/15/60/349801560.db2.gz NKDIACVWHIMQSY-CYBMUJFWSA-N 2 2 235.375 2.956 20 0 BFADLP CC(C)(C)CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000602870233 349801562 /nfs/dbraw/zinc/80/15/62/349801562.db2.gz NKDIACVWHIMQSY-CYBMUJFWSA-N 2 2 235.375 2.956 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccc(Cl)cc1 ZINC000035274886 343292055 /nfs/dbraw/zinc/29/20/55/343292055.db2.gz NJJDQXKVYOSOAP-LLVKDONJSA-N 2 2 249.745 2.715 20 0 BFADLP C[C@H](CCc1ccco1)[NH2+]CC(C)(C)[NH+](C)C ZINC000035451560 343296990 /nfs/dbraw/zinc/29/69/90/343296990.db2.gz GVSSOFIRTKEMJV-GFCCVEGCSA-N 2 2 238.375 2.531 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088763 343370533 /nfs/dbraw/zinc/37/05/33/343370533.db2.gz RDWKIUPOISFKIP-ZIAGYGMSSA-N 2 2 234.387 2.547 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1 ZINC000037157981 343337277 /nfs/dbraw/zinc/33/72/77/343337277.db2.gz HONINRAKVCYRBL-OLZOCXBDSA-N 2 2 229.327 2.622 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1F ZINC000037157876 343337384 /nfs/dbraw/zinc/33/73/84/343337384.db2.gz PJUVGARTUDQSBD-NWDGAFQWSA-N 2 2 247.317 2.762 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000037157914 343337487 /nfs/dbraw/zinc/33/74/87/343337487.db2.gz LLYPIFNGBGANQH-NEPJUHHUSA-N 2 2 247.317 2.762 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C(C1CC1)C1CC1 ZINC000090847446 343424944 /nfs/dbraw/zinc/42/49/44/343424944.db2.gz NBOKGWQCKPUKST-UHFFFAOYSA-N 2 2 230.355 2.711 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349177979 136330683 /nfs/dbraw/zinc/33/06/83/136330683.db2.gz BBXWJNLTCYTFOC-KBPBESRZSA-N 2 2 249.402 2.892 20 0 BFADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000349177979 136330684 /nfs/dbraw/zinc/33/06/84/136330684.db2.gz BBXWJNLTCYTFOC-KBPBESRZSA-N 2 2 249.402 2.892 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349295448 136338061 /nfs/dbraw/zinc/33/80/61/136338061.db2.gz JKSHKFVHJUUBLR-UONOGXRCSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000349295448 136338062 /nfs/dbraw/zinc/33/80/62/136338062.db2.gz JKSHKFVHJUUBLR-UONOGXRCSA-N 2 2 236.403 2.593 20 0 BFADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1C[C@H]1C ZINC000321731757 343528398 /nfs/dbraw/zinc/52/83/98/343528398.db2.gz XXGWZPITWHNWCC-MCIONIFRSA-N 2 2 235.375 2.688 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000070975759 343579779 /nfs/dbraw/zinc/57/97/79/343579779.db2.gz DYKPFPUIQAPLMZ-INIZCTEOSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000070975759 343579780 /nfs/dbraw/zinc/57/97/80/343579780.db2.gz DYKPFPUIQAPLMZ-INIZCTEOSA-N 2 2 246.398 2.957 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCCC1CCCC1)C2 ZINC000625436314 343733978 /nfs/dbraw/zinc/73/39/78/343733978.db2.gz BVOSOGODBMQJSY-UHFFFAOYSA-N 2 2 233.359 2.738 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@H+](CCCC1CCCC1)C2 ZINC000625436314 343733980 /nfs/dbraw/zinc/73/39/80/343733980.db2.gz BVOSOGODBMQJSY-UHFFFAOYSA-N 2 2 233.359 2.738 20 0 BFADLP C[C@H]1CCC[C@@H](CC[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625438854 343740637 /nfs/dbraw/zinc/74/06/37/343740637.db2.gz SPCKRUGWZYTQNN-STQMWFEESA-N 2 2 247.386 2.984 20 0 BFADLP C[C@H]1CCC[C@@H](CC[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625438854 343740638 /nfs/dbraw/zinc/74/06/38/343740638.db2.gz SPCKRUGWZYTQNN-STQMWFEESA-N 2 2 247.386 2.984 20 0 BFADLP CCC[C@@H](C)CCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000625441236 343741230 /nfs/dbraw/zinc/74/12/30/343741230.db2.gz RRAIQIWALIQBGE-CYBMUJFWSA-N 2 2 235.375 2.915 20 0 BFADLP CCC[C@@H](C)CCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000625441236 343741231 /nfs/dbraw/zinc/74/12/31/343741231.db2.gz RRAIQIWALIQBGE-CYBMUJFWSA-N 2 2 235.375 2.915 20 0 BFADLP C[C@@H]([NH2+]CCCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126831474 343714898 /nfs/dbraw/zinc/71/48/98/343714898.db2.gz LLOHHOABGYYAOV-GFCCVEGCSA-N 2 2 247.317 2.883 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348089692 537831223 /nfs/dbraw/zinc/83/12/23/537831223.db2.gz UIZRFZXRTZYIEQ-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348089692 537831229 /nfs/dbraw/zinc/83/12/29/537831229.db2.gz UIZRFZXRTZYIEQ-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP c1cn(CC[NH2+]Cc2ccccc2C2CC2)c[nH+]1 ZINC000094357559 537837134 /nfs/dbraw/zinc/83/71/34/537837134.db2.gz SMWUMBDYZGBVNR-UHFFFAOYSA-N 2 2 241.338 2.550 20 0 BFADLP C1CC1[C@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000348128886 537839953 /nfs/dbraw/zinc/83/99/53/537839953.db2.gz WGXRPMQRFACWGL-IMJJTQAJSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000348128886 537839961 /nfs/dbraw/zinc/83/99/61/537839961.db2.gz WGXRPMQRFACWGL-IMJJTQAJSA-N 2 2 248.414 2.782 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000167363910 344079102 /nfs/dbraw/zinc/07/91/02/344079102.db2.gz OBRBSFJBOVQLII-YRGRVCCFSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000167363910 344079105 /nfs/dbraw/zinc/07/91/05/344079105.db2.gz OBRBSFJBOVQLII-YRGRVCCFSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CNc1cc(C(C)(C)C)cc[nH+]1)[NH+](C)C ZINC000641312184 362358588 /nfs/dbraw/zinc/35/85/88/362358588.db2.gz CXBZKUFCDWMZIR-LLVKDONJSA-N 2 2 235.375 2.741 20 0 BFADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCCC1 ZINC000387702415 347030956 /nfs/dbraw/zinc/03/09/56/347030956.db2.gz XLEXXZKTOUDIEL-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]CC[N@H+](C)CC ZINC000393626169 259378035 /nfs/dbraw/zinc/37/80/35/259378035.db2.gz XYFMSZIQYUMINN-QWHCGFSZSA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+](C)CC ZINC000393626169 259378036 /nfs/dbraw/zinc/37/80/36/259378036.db2.gz XYFMSZIQYUMINN-QWHCGFSZSA-N 2 2 214.397 2.743 20 0 BFADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1(C)CC1 ZINC000152806675 344700026 /nfs/dbraw/zinc/70/00/26/344700026.db2.gz CRLHLHJTMHZWPW-LBPRGKRZSA-N 2 2 247.386 2.540 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000318950172 259380690 /nfs/dbraw/zinc/38/06/90/259380690.db2.gz CTXKFJUNFPQGQM-SWLSCSKDSA-N 2 2 232.371 2.508 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000153796576 344975262 /nfs/dbraw/zinc/97/52/62/344975262.db2.gz DLBXXJMXCWGPDS-ZFWWWQNUSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000153796576 344975265 /nfs/dbraw/zinc/97/52/65/344975265.db2.gz DLBXXJMXCWGPDS-ZFWWWQNUSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000153796349 344975913 /nfs/dbraw/zinc/97/59/13/344975913.db2.gz DLBXXJMXCWGPDS-HIFRSBDPSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000153796349 344975916 /nfs/dbraw/zinc/97/59/16/344975916.db2.gz DLBXXJMXCWGPDS-HIFRSBDPSA-N 2 2 236.403 2.782 20 0 BFADLP Fc1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1 ZINC000044353286 345032622 /nfs/dbraw/zinc/03/26/22/345032622.db2.gz OPFLTNSIBHMVHJ-UHFFFAOYSA-N 2 2 247.317 2.592 20 0 BFADLP c1cn(CCCC[NH2+]CC2CCCCC2)c[nH+]1 ZINC000044353203 345032853 /nfs/dbraw/zinc/03/28/53/345032853.db2.gz CKRFQHLGKZYSLV-UHFFFAOYSA-N 2 2 235.375 2.833 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000155981428 345115638 /nfs/dbraw/zinc/11/56/38/345115638.db2.gz LXQBERTVIKQGKG-YDHLFZDLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000155981428 345115639 /nfs/dbraw/zinc/11/56/39/345115639.db2.gz LXQBERTVIKQGKG-YDHLFZDLSA-N 2 2 238.419 2.885 20 0 BFADLP C(C1CCCC1)[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996597 345189326 /nfs/dbraw/zinc/18/93/26/345189326.db2.gz OQUUXIRSEKSOCL-PCKAHOCUSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CCCC1)[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996597 345189330 /nfs/dbraw/zinc/18/93/30/345189330.db2.gz OQUUXIRSEKSOCL-PCKAHOCUSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CCCC1)[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996596 345189875 /nfs/dbraw/zinc/18/98/75/345189875.db2.gz OQUUXIRSEKSOCL-HWOWSKLDSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CCCC1)[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634996596 345189876 /nfs/dbraw/zinc/18/98/76/345189876.db2.gz OQUUXIRSEKSOCL-HWOWSKLDSA-N 2 2 248.414 2.783 20 0 BFADLP CC(C)[N@H+](CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634991843 345178997 /nfs/dbraw/zinc/17/89/97/345178997.db2.gz UBMLPONFMASOJQ-UHFFFAOYSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)[N@@H+](CC12CC(C1)C[NH2+]2)C1CCCCC1 ZINC000634991843 345179001 /nfs/dbraw/zinc/17/90/01/345179001.db2.gz UBMLPONFMASOJQ-UHFFFAOYSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993391 345190617 /nfs/dbraw/zinc/19/06/17/345190617.db2.gz SRQBGCAMTKBMPE-LQULJDIASA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993391 345190619 /nfs/dbraw/zinc/19/06/19/345190619.db2.gz SRQBGCAMTKBMPE-LQULJDIASA-N 2 2 236.403 2.639 20 0 BFADLP CCC1(CC)CC[NH+](CC23CC(C2)C[NH2+]3)CC1 ZINC000634995182 345183618 /nfs/dbraw/zinc/18/36/18/345183618.db2.gz XRTRQJYCFPTVRY-UHFFFAOYSA-N 2 2 236.403 2.641 20 0 BFADLP CCC1(CC)CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996659 345191118 /nfs/dbraw/zinc/19/11/18/345191118.db2.gz QCFYAZMULQJDRM-UHFFFAOYSA-N 2 2 236.403 2.641 20 0 BFADLP CCC1(CC)CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634996659 345191119 /nfs/dbraw/zinc/19/11/19/345191119.db2.gz QCFYAZMULQJDRM-UHFFFAOYSA-N 2 2 236.403 2.641 20 0 BFADLP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993075 345188704 /nfs/dbraw/zinc/18/87/04/345188704.db2.gz KSKDUYIIWYYUHN-FEWQNLEASA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H]1[C@H](C)CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993075 345188707 /nfs/dbraw/zinc/18/87/07/345188707.db2.gz KSKDUYIIWYYUHN-FEWQNLEASA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CF)c1ccc(F)cc1 ZINC000635011958 345213964 /nfs/dbraw/zinc/21/39/64/345213964.db2.gz ILOMSHWJFXHPHM-OUJBWJOFSA-N 2 2 242.313 2.552 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961699 345455122 /nfs/dbraw/zinc/45/51/22/345455122.db2.gz NEFOYXHRNUCGEO-LBPRGKRZSA-N 2 2 221.348 2.635 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961699 345455124 /nfs/dbraw/zinc/45/51/24/345455124.db2.gz NEFOYXHRNUCGEO-LBPRGKRZSA-N 2 2 221.348 2.635 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1F ZINC000221785250 535003539 /nfs/dbraw/zinc/00/35/39/535003539.db2.gz NAFLGLWMTVPBHG-UHFFFAOYSA-N 2 2 238.350 2.646 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1F ZINC000221785250 535003545 /nfs/dbraw/zinc/00/35/45/535003545.db2.gz NAFLGLWMTVPBHG-UHFFFAOYSA-N 2 2 238.350 2.646 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C[C@@]1(C)CCCS1 ZINC000628214464 345896836 /nfs/dbraw/zinc/89/68/36/345896836.db2.gz YNBQJLAPEZWEGG-CYBMUJFWSA-N 2 2 244.448 2.594 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C[C@@]1(C)CCCS1 ZINC000628214464 345896837 /nfs/dbraw/zinc/89/68/37/345896837.db2.gz YNBQJLAPEZWEGG-CYBMUJFWSA-N 2 2 244.448 2.594 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C[C@]1(C)CCCS1 ZINC000628214465 345896856 /nfs/dbraw/zinc/89/68/56/345896856.db2.gz YNBQJLAPEZWEGG-ZDUSSCGKSA-N 2 2 244.448 2.594 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C[C@]1(C)CCCS1 ZINC000628214465 345896859 /nfs/dbraw/zinc/89/68/59/345896859.db2.gz YNBQJLAPEZWEGG-ZDUSSCGKSA-N 2 2 244.448 2.594 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000577076606 365806767 /nfs/dbraw/zinc/80/67/67/365806767.db2.gz BISNLYPEPSWOQC-QWRGUYRKSA-N 2 2 223.364 2.643 20 0 BFADLP C/C=C\C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000626162880 346274057 /nfs/dbraw/zinc/27/40/57/346274057.db2.gz AAFKESLIRCJDJV-MPNWYJEXSA-N 2 2 247.386 2.951 20 0 BFADLP C/C=C\C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000626162880 346274060 /nfs/dbraw/zinc/27/40/60/346274060.db2.gz AAFKESLIRCJDJV-MPNWYJEXSA-N 2 2 247.386 2.951 20 0 BFADLP CC[C@@H]1CCCC[C@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000628285921 346297561 /nfs/dbraw/zinc/29/75/61/346297561.db2.gz MXXUKUNXFQWHSO-KGLIPLIRSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@@H]1CCCC[C@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000628285921 346297564 /nfs/dbraw/zinc/29/75/64/346297564.db2.gz MXXUKUNXFQWHSO-KGLIPLIRSA-N 2 2 247.386 2.915 20 0 BFADLP Cc1cccc(C)c1C[NH2+]CCCn1cc[nH+]c1 ZINC000083372004 179037207 /nfs/dbraw/zinc/03/72/07/179037207.db2.gz GGZJLCFGNFRTRO-UHFFFAOYSA-N 2 2 243.354 2.680 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC000294878136 346314289 /nfs/dbraw/zinc/31/42/89/346314289.db2.gz XHCCMCNWMNDJSF-ZDUSSCGKSA-N 2 2 238.400 2.630 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1csc(C)c1 ZINC000294878136 346314291 /nfs/dbraw/zinc/31/42/91/346314291.db2.gz XHCCMCNWMNDJSF-ZDUSSCGKSA-N 2 2 238.400 2.630 20 0 BFADLP Clc1ccccc1C[NH2+]CCC[NH+]1CCC1 ZINC000381605786 346420536 /nfs/dbraw/zinc/42/05/36/346420536.db2.gz QACUEFFPDRQHPW-UHFFFAOYSA-N 2 2 238.762 2.525 20 0 BFADLP CC[C@@H](Nc1cc(C)cc[nH+]1)c1[nH+]ccn1C ZINC000182639244 347101340 /nfs/dbraw/zinc/10/13/40/347101340.db2.gz FPCJNWCZILWTSP-LLVKDONJSA-N 2 2 230.315 2.687 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000580158293 346575623 /nfs/dbraw/zinc/57/56/23/346575623.db2.gz QMBPPVNKHYIGDT-RYUDHWBXSA-N 2 2 235.375 2.612 20 0 BFADLP CC(C)C(C[NH2+][C@@H](C)Cn1cc[nH+]c1)C(C)C ZINC000380224025 346568972 /nfs/dbraw/zinc/56/89/72/346568972.db2.gz WLKZFICLXODOPK-ZDUSSCGKSA-N 2 2 237.391 2.789 20 0 BFADLP CCCC1CCC([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000038088122 346712348 /nfs/dbraw/zinc/71/23/48/346712348.db2.gz NZDFXZLICXWLGV-HSBZDZAISA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cccc(NCc2ccn3cc[nH+]c3c2)[nH+]1 ZINC000357488537 179150689 /nfs/dbraw/zinc/15/06/89/179150689.db2.gz PTQRUFPRSJSENJ-UHFFFAOYSA-N 2 2 238.294 2.650 20 0 BFADLP Cc1cccc(N[C@@H](C)C[NH+]2CCCCC2)[nH+]1 ZINC000049502150 179152730 /nfs/dbraw/zinc/15/27/30/179152730.db2.gz IBUKOPACXVCSIA-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP CC(C)C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182805385 347107570 /nfs/dbraw/zinc/10/75/70/347107570.db2.gz SJELSOHICBKKCV-CQSZACIVSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182805385 347107573 /nfs/dbraw/zinc/10/75/73/347107573.db2.gz SJELSOHICBKKCV-CQSZACIVSA-N 2 2 235.375 2.641 20 0 BFADLP [NH3+][C@]12CCC[C@@H]1C[N@H+](C/C=C\c1ccccc1)C2 ZINC000622005018 370655234 /nfs/dbraw/zinc/65/52/34/370655234.db2.gz XWQRBYYPYRCUMT-RQTGCPSESA-N 2 2 242.366 2.513 20 0 BFADLP [NH3+][C@]12CCC[C@@H]1C[N@@H+](C/C=C\c1ccccc1)C2 ZINC000622005018 370655236 /nfs/dbraw/zinc/65/52/36/370655236.db2.gz XWQRBYYPYRCUMT-RQTGCPSESA-N 2 2 242.366 2.513 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189041428 347295144 /nfs/dbraw/zinc/29/51/44/347295144.db2.gz YAXGTYDVOOLWGZ-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189041428 347295147 /nfs/dbraw/zinc/29/51/47/347295147.db2.gz YAXGTYDVOOLWGZ-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCCC3)C[N@@H+]1C1CC1 ZINC000189148612 347297397 /nfs/dbraw/zinc/29/73/97/347297397.db2.gz FBBKJIKNFACXKB-VNHYZAJKSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCCC3)C[N@H+]1C1CC1 ZINC000189148612 347297400 /nfs/dbraw/zinc/29/74/00/347297400.db2.gz FBBKJIKNFACXKB-VNHYZAJKSA-N 2 2 248.414 2.924 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CC[NH+](C)C ZINC000286882122 179223811 /nfs/dbraw/zinc/22/38/11/179223811.db2.gz CMTQFOGGKPCYBM-OCCSQVGLSA-N 2 2 232.371 2.695 20 0 BFADLP Cc1[nH+]cc(C[NH2+]Cc2ccccc2Cl)n1C ZINC000577232174 365892906 /nfs/dbraw/zinc/89/29/06/365892906.db2.gz XNCQHNAWKITBDO-UHFFFAOYSA-N 2 2 249.745 2.672 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414302567 323150387 /nfs/dbraw/zinc/15/03/87/323150387.db2.gz MQCOVWOFZDGBJT-RQJABVFESA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000414302567 323150388 /nfs/dbraw/zinc/15/03/88/323150388.db2.gz MQCOVWOFZDGBJT-RQJABVFESA-N 2 2 238.419 2.741 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3CC[C@H](F)C3)c[nH+]c12 ZINC000336493188 179354747 /nfs/dbraw/zinc/35/47/47/179354747.db2.gz IQNATFLDFBFSQN-NWDGAFQWSA-N 2 2 247.317 2.623 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H]3CC[C@H]3C)c[nH+]c12 ZINC000336549011 179355138 /nfs/dbraw/zinc/35/51/38/179355138.db2.gz SATNZQOKWLCHGF-MFKMUULPSA-N 2 2 229.327 2.531 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000377683380 187388643 /nfs/dbraw/zinc/38/86/43/187388643.db2.gz SJYHLDVHUKRQKK-CYBMUJFWSA-N 2 2 249.402 2.991 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H](C)CC1CC1)CCC2 ZINC000366207902 179565919 /nfs/dbraw/zinc/56/59/19/179565919.db2.gz FOVRBHQGJCXGFT-FZMZJTMJSA-N 2 2 247.386 2.847 20 0 BFADLP CC[NH+](CC)CC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000082829393 348820513 /nfs/dbraw/zinc/82/05/13/348820513.db2.gz VTQAUVVEINMTFV-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000082835866 348825700 /nfs/dbraw/zinc/82/57/00/348825700.db2.gz VRIJXUDTNFAJIH-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C(C)C ZINC000090847444 179696204 /nfs/dbraw/zinc/69/62/04/179696204.db2.gz LRSPDTNFABXEOH-LBPRGKRZSA-N 2 2 206.333 2.567 20 0 BFADLP CC(C)C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352295726 535086635 /nfs/dbraw/zinc/08/66/35/535086635.db2.gz AQCJCLUDOMQWQL-ZNMIVQPWSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352295726 535086641 /nfs/dbraw/zinc/08/66/41/535086641.db2.gz AQCJCLUDOMQWQL-ZNMIVQPWSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)C[NH+]1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352295726 535086643 /nfs/dbraw/zinc/08/66/43/535086643.db2.gz AQCJCLUDOMQWQL-ZNMIVQPWSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)C[NH+]1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352295726 535086645 /nfs/dbraw/zinc/08/66/45/535086645.db2.gz AQCJCLUDOMQWQL-ZNMIVQPWSA-N 2 2 238.419 2.980 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCn1cc[nH+]c1 ZINC000245648692 349084757 /nfs/dbraw/zinc/08/47/57/349084757.db2.gz BVHCHKQULQMKEE-MGPQQGTHSA-N 2 2 233.359 2.536 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCn1cc[nH+]c1 ZINC000245648692 349084760 /nfs/dbraw/zinc/08/47/60/349084760.db2.gz BVHCHKQULQMKEE-MGPQQGTHSA-N 2 2 233.359 2.536 20 0 BFADLP CC(C)C[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000352295723 535087063 /nfs/dbraw/zinc/08/70/63/535087063.db2.gz AQCJCLUDOMQWQL-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)C[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000352295723 535087067 /nfs/dbraw/zinc/08/70/67/535087067.db2.gz AQCJCLUDOMQWQL-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC[C@H](C)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000248373308 349126133 /nfs/dbraw/zinc/12/61/33/349126133.db2.gz HWPMHOPADDCYHQ-MJBXVCDLSA-N 2 2 224.392 2.732 20 0 BFADLP CC[C@H](C)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000248373308 349126134 /nfs/dbraw/zinc/12/61/34/349126134.db2.gz HWPMHOPADDCYHQ-MJBXVCDLSA-N 2 2 224.392 2.732 20 0 BFADLP CC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000248373308 349126135 /nfs/dbraw/zinc/12/61/35/349126135.db2.gz HWPMHOPADDCYHQ-MJBXVCDLSA-N 2 2 224.392 2.732 20 0 BFADLP CC[C@H](C)[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000248373308 349126136 /nfs/dbraw/zinc/12/61/36/349126136.db2.gz HWPMHOPADDCYHQ-MJBXVCDLSA-N 2 2 224.392 2.732 20 0 BFADLP CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248376100 349127010 /nfs/dbraw/zinc/12/70/10/349127010.db2.gz ZGEUUHJKNFDWQN-FRRDWIJNSA-N 2 2 221.348 2.565 20 0 BFADLP CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000248376100 349127011 /nfs/dbraw/zinc/12/70/11/349127011.db2.gz ZGEUUHJKNFDWQN-FRRDWIJNSA-N 2 2 221.348 2.565 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000251016937 349181587 /nfs/dbraw/zinc/18/15/87/349181587.db2.gz HQLQCTSEDJRVHV-HUUCEWRRSA-N 2 2 246.398 2.967 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2c(C)cc(C)cc2C)C1 ZINC000251016937 349181593 /nfs/dbraw/zinc/18/15/93/349181593.db2.gz HQLQCTSEDJRVHV-HUUCEWRRSA-N 2 2 246.398 2.967 20 0 BFADLP C(C1CCCC1)[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251517887 349187961 /nfs/dbraw/zinc/18/79/61/349187961.db2.gz WJVGFYYSERLWHF-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCCC1)[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000251517887 349187964 /nfs/dbraw/zinc/18/79/64/349187964.db2.gz WJVGFYYSERLWHF-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCCC1)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251517891 349188310 /nfs/dbraw/zinc/18/83/10/349188310.db2.gz WJVGFYYSERLWHF-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCCC1)[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251517891 349188315 /nfs/dbraw/zinc/18/83/15/349188315.db2.gz WJVGFYYSERLWHF-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251666729 349189322 /nfs/dbraw/zinc/18/93/22/349189322.db2.gz CEPUJKUTXYPVTL-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000251666729 349189326 /nfs/dbraw/zinc/18/93/26/349189326.db2.gz CEPUJKUTXYPVTL-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623530638 362948373 /nfs/dbraw/zinc/94/83/73/362948373.db2.gz GGSKWDDBPHYCOB-GFCCVEGCSA-N 2 2 236.359 2.550 20 0 BFADLP Cc1ccoc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623530638 362948377 /nfs/dbraw/zinc/94/83/77/362948377.db2.gz GGSKWDDBPHYCOB-GFCCVEGCSA-N 2 2 236.359 2.550 20 0 BFADLP Cc1[nH+]ccn1CCC[NH+]1Cc2ccccc2C1 ZINC000270643438 180238613 /nfs/dbraw/zinc/23/86/13/180238613.db2.gz NNQPMMVPOQKKJF-UHFFFAOYSA-N 2 2 241.338 2.597 20 0 BFADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(C)C)CC1 ZINC000336698168 180252802 /nfs/dbraw/zinc/25/28/02/180252802.db2.gz UNOZXQNHNCJMKS-UHFFFAOYSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000336495768 180253377 /nfs/dbraw/zinc/25/33/77/180253377.db2.gz VELSXQJIZPTHAH-ZFWWWQNUSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000336495768 180253379 /nfs/dbraw/zinc/25/33/79/180253379.db2.gz VELSXQJIZPTHAH-ZFWWWQNUSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000336495765 180256057 /nfs/dbraw/zinc/25/60/57/180256057.db2.gz VELSXQJIZPTHAH-HIFRSBDPSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000336495765 180256059 /nfs/dbraw/zinc/25/60/59/180256059.db2.gz VELSXQJIZPTHAH-HIFRSBDPSA-N 2 2 247.386 2.704 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000068986616 350320221 /nfs/dbraw/zinc/32/02/21/350320221.db2.gz FZHPVJBPNQIJCB-QWHCGFSZSA-N 2 2 223.364 2.830 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000427872464 191098498 /nfs/dbraw/zinc/09/84/98/191098498.db2.gz DASSKWDOHOOKKI-SYQHCUMBSA-N 2 2 247.386 2.612 20 0 BFADLP CC(C)c1[nH+]ccn1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000319861837 350389985 /nfs/dbraw/zinc/38/99/85/350389985.db2.gz ZRVDXLSJGPUENR-ZIAGYGMSSA-N 2 2 249.402 2.984 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427890635 191099325 /nfs/dbraw/zinc/09/93/25/191099325.db2.gz JMDLOWYMGGKMGD-HZSPNIEDSA-N 2 2 247.386 2.612 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427887663 191099390 /nfs/dbraw/zinc/09/93/90/191099390.db2.gz UHUFKHZOGWOZKU-UONOGXRCSA-N 2 2 247.386 2.922 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000336748879 350498107 /nfs/dbraw/zinc/49/81/07/350498107.db2.gz DBXNYVZWIMNXKS-XQQFMLRXSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccoc1 ZINC000577482245 365963816 /nfs/dbraw/zinc/96/38/16/365963816.db2.gz VEUUMHYPFVCNDW-RISCZKNCSA-N 2 2 230.311 2.630 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000070562275 350536010 /nfs/dbraw/zinc/53/60/10/350536010.db2.gz YDBMMRDYZIBAQR-ZIAGYGMSSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394796506 350756823 /nfs/dbraw/zinc/75/68/23/350756823.db2.gz ZWIVDJPNNHHGIX-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCC12CCC2 ZINC000394796506 350756828 /nfs/dbraw/zinc/75/68/28/350756828.db2.gz ZWIVDJPNNHHGIX-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000248533962 350861913 /nfs/dbraw/zinc/86/19/13/350861913.db2.gz UIYZXEBWUAYLDP-TZMCWYRMSA-N 2 2 248.370 2.527 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000248533962 350861918 /nfs/dbraw/zinc/86/19/18/350861918.db2.gz UIYZXEBWUAYLDP-TZMCWYRMSA-N 2 2 248.370 2.527 20 0 BFADLP Cc1ccc([C@H](C)C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000628338126 351281748 /nfs/dbraw/zinc/28/17/48/351281748.db2.gz AGKNQECGYCSHNB-CQSZACIVSA-N 2 2 246.398 2.592 20 0 BFADLP Cc1ccc([C@H](C)C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000628338126 351281750 /nfs/dbraw/zinc/28/17/50/351281750.db2.gz AGKNQECGYCSHNB-CQSZACIVSA-N 2 2 246.398 2.592 20 0 BFADLP CC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034973321 351371706 /nfs/dbraw/zinc/37/17/06/351371706.db2.gz ONHTUKNUYHHZES-UKRRQHHQSA-N 2 2 232.371 2.649 20 0 BFADLP CC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034973321 351371708 /nfs/dbraw/zinc/37/17/08/351371708.db2.gz ONHTUKNUYHHZES-UKRRQHHQSA-N 2 2 232.371 2.649 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)o1 ZINC000034958078 351364104 /nfs/dbraw/zinc/36/41/04/351364104.db2.gz BVMYKYMLFISNOX-LBPRGKRZSA-N 2 2 233.315 2.525 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCC1(C)C)[NH+](C)C ZINC000309316765 187482322 /nfs/dbraw/zinc/48/23/22/187482322.db2.gz PJILSHMWELVVAS-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000336733869 351885851 /nfs/dbraw/zinc/88/58/51/351885851.db2.gz KJPYQAAISNOWFA-OLZOCXBDSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000340110334 351905075 /nfs/dbraw/zinc/90/50/75/351905075.db2.gz XLWNSXZXDQLKIW-TZMCWYRMSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000340110334 351905078 /nfs/dbraw/zinc/90/50/78/351905078.db2.gz XLWNSXZXDQLKIW-TZMCWYRMSA-N 2 2 238.419 2.743 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000284325552 351995612 /nfs/dbraw/zinc/99/56/12/351995612.db2.gz MANRYAJXUJROFP-ZDUSSCGKSA-N 2 2 243.354 2.655 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000453193375 352465735 /nfs/dbraw/zinc/46/57/35/352465735.db2.gz MFAPRMZFXDRDED-XLWJZTARSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000453193375 352465738 /nfs/dbraw/zinc/46/57/38/352465738.db2.gz MFAPRMZFXDRDED-XLWJZTARSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1ccc(C[N@@H+](C)C[C@@H]([NH3+])CC(C)C)cc1 ZINC000020264731 352680575 /nfs/dbraw/zinc/68/05/75/352680575.db2.gz CADCSJFRQICQHK-HNNXBMFYSA-N 2 2 234.387 2.800 20 0 BFADLP Cc1ccc(C[N@H+](C)C[C@@H]([NH3+])CC(C)C)cc1 ZINC000020264731 352680578 /nfs/dbraw/zinc/68/05/78/352680578.db2.gz CADCSJFRQICQHK-HNNXBMFYSA-N 2 2 234.387 2.800 20 0 BFADLP c1[nH]cc(C2CC[NH+](C[C@H]3CC=CCC3)CC2)[nH+]1 ZINC000334177375 352762568 /nfs/dbraw/zinc/76/25/68/352762568.db2.gz CULHZEFXSUIUOQ-ZDUSSCGKSA-N 2 2 245.370 2.945 20 0 BFADLP C1=CC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000334201293 352794533 /nfs/dbraw/zinc/79/45/33/352794533.db2.gz OVZLDWUUJIYESA-CVEARBPZSA-N 2 2 248.414 2.903 20 0 BFADLP C1=CC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000334201293 352794538 /nfs/dbraw/zinc/79/45/38/352794538.db2.gz OVZLDWUUJIYESA-CVEARBPZSA-N 2 2 248.414 2.903 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](CNc1cccc[nH+]1)CCC2 ZINC000334249942 352843708 /nfs/dbraw/zinc/84/37/08/352843708.db2.gz YEXVGPHMJZYXBM-GFCCVEGCSA-N 2 2 242.326 2.576 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000342915699 352917657 /nfs/dbraw/zinc/91/76/57/352917657.db2.gz GBMCJCKYWHVDGD-HUUCEWRRSA-N 2 2 246.398 2.720 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000261921638 535198383 /nfs/dbraw/zinc/19/83/83/535198383.db2.gz KNGSIOQZOYPXOG-HNNXBMFYSA-N 2 2 246.398 2.678 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000261921638 535198389 /nfs/dbraw/zinc/19/83/89/535198389.db2.gz KNGSIOQZOYPXOG-HNNXBMFYSA-N 2 2 246.398 2.678 20 0 BFADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000044683925 188123570 /nfs/dbraw/zinc/12/35/70/188123570.db2.gz UFGPQTRJVLBFBT-AWEZNQCLSA-N 2 2 236.403 2.926 20 0 BFADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000044683925 188123572 /nfs/dbraw/zinc/12/35/72/188123572.db2.gz UFGPQTRJVLBFBT-AWEZNQCLSA-N 2 2 236.403 2.926 20 0 BFADLP CC(C)=CCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000309751654 188150791 /nfs/dbraw/zinc/15/07/91/188150791.db2.gz GWHLWFSGYNKCDJ-OLZOCXBDSA-N 2 2 222.376 2.558 20 0 BFADLP CC(C)=CCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000309751654 188150793 /nfs/dbraw/zinc/15/07/93/188150793.db2.gz GWHLWFSGYNKCDJ-OLZOCXBDSA-N 2 2 222.376 2.558 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000336745190 188184295 /nfs/dbraw/zinc/18/42/95/188184295.db2.gz BBIVNUVGGCYBAI-CHWSQXEVSA-N 2 2 212.381 2.661 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+]CCn1cc[nH+]c1 ZINC000236700317 188191332 /nfs/dbraw/zinc/19/13/32/188191332.db2.gz MMNWQGSSDHPZLX-KAMYIIQDSA-N 2 2 241.338 2.576 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000165306556 353294287 /nfs/dbraw/zinc/29/42/87/353294287.db2.gz JXIMPGZOKYHAGJ-XQQFMLRXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000165306556 353294290 /nfs/dbraw/zinc/29/42/90/353294290.db2.gz JXIMPGZOKYHAGJ-XQQFMLRXSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1sccc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000335557887 538115153 /nfs/dbraw/zinc/11/51/53/538115153.db2.gz LEAQNWRRXWOARZ-GWCFXTLKSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1sccc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000335557887 538115154 /nfs/dbraw/zinc/11/51/54/538115154.db2.gz LEAQNWRRXWOARZ-GWCFXTLKSA-N 2 2 238.400 2.629 20 0 BFADLP CC(C)=CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000334503245 353343344 /nfs/dbraw/zinc/34/33/44/353343344.db2.gz QFILCYANSBMQCW-UHFFFAOYSA-N 2 2 222.376 2.513 20 0 BFADLP CC(C)=CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000334503245 353343347 /nfs/dbraw/zinc/34/33/47/353343347.db2.gz QFILCYANSBMQCW-UHFFFAOYSA-N 2 2 222.376 2.513 20 0 BFADLP CC[N@H+](C)CCNc1[nH+]ccc2ccc(C)cc21 ZINC000574985468 353508932 /nfs/dbraw/zinc/50/89/32/353508932.db2.gz YEUZCECJFNMUNI-UHFFFAOYSA-N 2 2 243.354 2.907 20 0 BFADLP CC[N@@H+](C)CCNc1[nH+]ccc2ccc(C)cc21 ZINC000574985468 353508935 /nfs/dbraw/zinc/50/89/35/353508935.db2.gz YEUZCECJFNMUNI-UHFFFAOYSA-N 2 2 243.354 2.907 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCCCCF)C1 ZINC000309382558 491054282 /nfs/dbraw/zinc/05/42/82/491054282.db2.gz SEPIHQUCDATWFS-ZDUSSCGKSA-N 2 2 230.371 2.589 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCCCCF)C1 ZINC000309382558 491054284 /nfs/dbraw/zinc/05/42/84/491054284.db2.gz SEPIHQUCDATWFS-ZDUSSCGKSA-N 2 2 230.371 2.589 20 0 BFADLP CC[C@H]1CC[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000343586054 353940366 /nfs/dbraw/zinc/94/03/66/353940366.db2.gz XYMCYHZNRNNJMM-STQMWFEESA-N 2 2 221.348 2.536 20 0 BFADLP CC[C@H]1CC[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000343586054 353940369 /nfs/dbraw/zinc/94/03/69/353940369.db2.gz XYMCYHZNRNNJMM-STQMWFEESA-N 2 2 221.348 2.536 20 0 BFADLP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000639168245 354070368 /nfs/dbraw/zinc/07/03/68/354070368.db2.gz RDKCCAURCVYUNH-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP Cc1ccc(C[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000639168245 354070371 /nfs/dbraw/zinc/07/03/71/354070371.db2.gz RDKCCAURCVYUNH-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CC=CCC1 ZINC000344073968 354133391 /nfs/dbraw/zinc/13/33/91/354133391.db2.gz UGUZBBMXLTVHPA-CQSZACIVSA-N 2 2 233.359 2.561 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CC=CCC1 ZINC000344073968 354133394 /nfs/dbraw/zinc/13/33/94/354133394.db2.gz UGUZBBMXLTVHPA-CQSZACIVSA-N 2 2 233.359 2.561 20 0 BFADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000344040259 354105956 /nfs/dbraw/zinc/10/59/56/354105956.db2.gz GZQWSLNYXLDYFU-CYBMUJFWSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)CC(C)(C)C1 ZINC000344040259 354105957 /nfs/dbraw/zinc/10/59/57/354105957.db2.gz GZQWSLNYXLDYFU-CYBMUJFWSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCCc2ccccc21)[NH+](C)C ZINC000038088748 358483512 /nfs/dbraw/zinc/48/35/12/358483512.db2.gz BINYRFXRKXWVNA-XJKSGUPXSA-N 2 2 246.398 2.994 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1C ZINC000344311180 354219282 /nfs/dbraw/zinc/21/92/82/354219282.db2.gz WQJQXWUFWXLPEK-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1C ZINC000344311180 354219285 /nfs/dbraw/zinc/21/92/85/354219285.db2.gz WQJQXWUFWXLPEK-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c(C)c1 ZINC000344337730 354232835 /nfs/dbraw/zinc/23/28/35/354232835.db2.gz VSELHBKCZYXYCV-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c(C)c1 ZINC000344337730 354232836 /nfs/dbraw/zinc/23/28/36/354232836.db2.gz VSELHBKCZYXYCV-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)CCC2 ZINC000344512013 354292277 /nfs/dbraw/zinc/29/22/77/354292277.db2.gz JUBAULOORKZRGU-KWCYVHTRSA-N 2 2 247.386 2.847 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)CCC2 ZINC000344512011 354292295 /nfs/dbraw/zinc/29/22/95/354292295.db2.gz JUBAULOORKZRGU-FPMFFAJLSA-N 2 2 247.386 2.847 20 0 BFADLP CCc1ccccc1C[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000344583699 354311234 /nfs/dbraw/zinc/31/12/34/354311234.db2.gz MVZYVEINJQPMQW-CZUORRHYSA-N 2 2 246.398 2.679 20 0 BFADLP CCc1ccccc1C[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000344583699 354311236 /nfs/dbraw/zinc/31/12/36/354311236.db2.gz MVZYVEINJQPMQW-CZUORRHYSA-N 2 2 246.398 2.679 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000344632923 354331493 /nfs/dbraw/zinc/33/14/93/354331493.db2.gz VGNHREOYDWUUKK-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000344632923 354331495 /nfs/dbraw/zinc/33/14/95/354331495.db2.gz VGNHREOYDWUUKK-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@H]3C)n2c1 ZINC000334733946 354534495 /nfs/dbraw/zinc/53/44/95/354534495.db2.gz HOYIWXQHICKVOJ-YPMHNXCESA-N 2 2 229.327 2.531 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000334760828 354580905 /nfs/dbraw/zinc/58/09/05/354580905.db2.gz PGIZYYHESZKOFG-DGCLKSJQSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000334760828 354580908 /nfs/dbraw/zinc/58/09/08/354580908.db2.gz PGIZYYHESZKOFG-DGCLKSJQSA-N 2 2 241.338 2.618 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1CC(C)C ZINC000346303803 354891429 /nfs/dbraw/zinc/89/14/29/354891429.db2.gz CDKSFVDTQNPDKJ-CQSZACIVSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000346303803 354891433 /nfs/dbraw/zinc/89/14/33/354891433.db2.gz CDKSFVDTQNPDKJ-CQSZACIVSA-N 2 2 235.375 2.702 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000346449181 354943975 /nfs/dbraw/zinc/94/39/75/354943975.db2.gz UQXHCAXHDDEIGA-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000346449181 354943978 /nfs/dbraw/zinc/94/39/78/354943978.db2.gz UQXHCAXHDDEIGA-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@H](C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000346687620 355012590 /nfs/dbraw/zinc/01/25/90/355012590.db2.gz LXIQNQHCNYTIRH-MRXNPFEDSA-N 2 2 246.398 2.866 20 0 BFADLP CCC[C@H](C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000346687620 355012593 /nfs/dbraw/zinc/01/25/93/355012593.db2.gz LXIQNQHCNYTIRH-MRXNPFEDSA-N 2 2 246.398 2.866 20 0 BFADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1C=CCCC1)CC2 ZINC000335186346 355084930 /nfs/dbraw/zinc/08/49/30/355084930.db2.gz ZJFMVBDWUBITRJ-CQSZACIVSA-N 2 2 234.387 2.655 20 0 BFADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1C=CCCC1)CC2 ZINC000335186346 355084934 /nfs/dbraw/zinc/08/49/34/355084934.db2.gz ZJFMVBDWUBITRJ-CQSZACIVSA-N 2 2 234.387 2.655 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000346794913 355107643 /nfs/dbraw/zinc/10/76/43/355107643.db2.gz MJYPZDDSHZTSFY-XPABHHOTSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000346794913 355107646 /nfs/dbraw/zinc/10/76/46/355107646.db2.gz MJYPZDDSHZTSFY-XPABHHOTSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)[C@@H]1C ZINC000346800484 355108116 /nfs/dbraw/zinc/10/81/16/355108116.db2.gz REUMNXYRQJAWNF-NIFZNCRKSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)[C@@H]1C ZINC000346800484 355108118 /nfs/dbraw/zinc/10/81/18/355108118.db2.gz REUMNXYRQJAWNF-NIFZNCRKSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC23CCC(CC2)C3)C[N@@H+]1C1CC1 ZINC000346803051 355109176 /nfs/dbraw/zinc/10/91/76/355109176.db2.gz JIFLWJKSQZGZFE-ILTLLKDXSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC23CCC(CC2)C3)C[N@H+]1C1CC1 ZINC000346803051 355109178 /nfs/dbraw/zinc/10/91/78/355109178.db2.gz JIFLWJKSQZGZFE-ILTLLKDXSA-N 2 2 248.414 2.782 20 0 BFADLP CC(C)[N@H+](Cc1ccccc1F)CC(C)(C)[NH3+] ZINC000346841304 355133590 /nfs/dbraw/zinc/13/35/90/355133590.db2.gz VNORNEMWVVHNOJ-UHFFFAOYSA-N 2 2 238.350 2.773 20 0 BFADLP CC(C)[N@@H+](Cc1ccccc1F)CC(C)(C)[NH3+] ZINC000346841304 355133593 /nfs/dbraw/zinc/13/35/93/355133593.db2.gz VNORNEMWVVHNOJ-UHFFFAOYSA-N 2 2 238.350 2.773 20 0 BFADLP C[C@]1([NH2+]Cc2cccc3[nH+]ccn32)CC=CCC1 ZINC000335243083 355179159 /nfs/dbraw/zinc/17/91/59/355179159.db2.gz ZTPXWFSUNOARIR-HNNXBMFYSA-N 2 2 241.338 2.923 20 0 BFADLP Cc1cc2cc(C[N@@H+]3CC[C@H]([NH3+])C3)oc2cc1C ZINC000335786935 355437065 /nfs/dbraw/zinc/43/70/65/355437065.db2.gz VAWCZQZPWGAWHO-ZDUSSCGKSA-N 2 2 244.338 2.583 20 0 BFADLP Cc1cc2cc(C[N@H+]3CC[C@H]([NH3+])C3)oc2cc1C ZINC000335786935 355437067 /nfs/dbraw/zinc/43/70/67/355437067.db2.gz VAWCZQZPWGAWHO-ZDUSSCGKSA-N 2 2 244.338 2.583 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414941827 191628460 /nfs/dbraw/zinc/62/84/60/191628460.db2.gz BENOSLHCPVLYHX-DAXOMENPSA-N 2 2 244.382 2.652 20 0 BFADLP Clc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000415067272 191666316 /nfs/dbraw/zinc/66/63/16/191666316.db2.gz KKMJTMLRCVBFIJ-CYBMUJFWSA-N 2 2 238.762 2.572 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353247350 355744901 /nfs/dbraw/zinc/74/49/01/355744901.db2.gz IZKMJEADKPDZCX-SUNKGSAMSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353247350 355744904 /nfs/dbraw/zinc/74/49/04/355744904.db2.gz IZKMJEADKPDZCX-SUNKGSAMSA-N 2 2 247.386 2.681 20 0 BFADLP CCCC(CCC)[NH2+][C@H]1CC[N@H+](CC)C1 ZINC000389193826 355836853 /nfs/dbraw/zinc/83/68/53/355836853.db2.gz WJSBLWBDYKIXBN-ZDUSSCGKSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC(CCC)[NH2+][C@H]1CC[N@@H+](CC)C1 ZINC000389193826 355836855 /nfs/dbraw/zinc/83/68/55/355836855.db2.gz WJSBLWBDYKIXBN-ZDUSSCGKSA-N 2 2 212.381 2.639 20 0 BFADLP CCC1([NH+](C)C)CC[NH+](Cc2ccco2)CC1 ZINC000639379927 355917478 /nfs/dbraw/zinc/91/74/78/355917478.db2.gz UCEPEMLMMQOBGT-UHFFFAOYSA-N 2 2 236.359 2.586 20 0 BFADLP C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)CC1(C)C ZINC000628372446 356109640 /nfs/dbraw/zinc/10/96/40/356109640.db2.gz YIMHUSCGXPBYOU-LBPRGKRZSA-N 2 2 247.386 2.807 20 0 BFADLP C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)CC1(C)C ZINC000628372446 356109643 /nfs/dbraw/zinc/10/96/43/356109643.db2.gz YIMHUSCGXPBYOU-LBPRGKRZSA-N 2 2 247.386 2.807 20 0 BFADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000192390344 356182637 /nfs/dbraw/zinc/18/26/37/356182637.db2.gz FWLZQHMZRHKHMW-QWHCGFSZSA-N 2 2 235.375 2.688 20 0 BFADLP CCc1ccccc1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420318500 192195004 /nfs/dbraw/zinc/19/50/04/192195004.db2.gz ODMIRDLIRKCNCA-MRXNPFEDSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccccc1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000420318500 192195006 /nfs/dbraw/zinc/19/50/06/192195006.db2.gz ODMIRDLIRKCNCA-MRXNPFEDSA-N 2 2 244.382 2.575 20 0 BFADLP CC(C)CC[C@@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000420297816 192205007 /nfs/dbraw/zinc/20/50/07/192205007.db2.gz GGQQPWWGLLSYGR-OLZOCXBDSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CC[C@@H]1CCCC[N@H+]1C[C@@H](C)[NH3+] ZINC000420297816 192205009 /nfs/dbraw/zinc/20/50/09/192205009.db2.gz GGQQPWWGLLSYGR-OLZOCXBDSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CC[C@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000420297814 192205129 /nfs/dbraw/zinc/20/51/29/192205129.db2.gz GGQQPWWGLLSYGR-CHWSQXEVSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CC[C@H]1CCCC[N@H+]1C[C@@H](C)[NH3+] ZINC000420297814 192205131 /nfs/dbraw/zinc/20/51/31/192205131.db2.gz GGQQPWWGLLSYGR-CHWSQXEVSA-N 2 2 212.381 2.624 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@@H+]1CCCCC(F)(F)F ZINC000420284959 192199824 /nfs/dbraw/zinc/19/98/24/192199824.db2.gz DEUXBGHCJDUKCW-JTQLQIEISA-N 2 2 238.297 2.532 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@H+]1CCCCC(F)(F)F ZINC000420284959 192199827 /nfs/dbraw/zinc/19/98/27/192199827.db2.gz DEUXBGHCJDUKCW-JTQLQIEISA-N 2 2 238.297 2.532 20 0 BFADLP CCc1cccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000420287493 192200763 /nfs/dbraw/zinc/20/07/63/192200763.db2.gz GNSMHNGJCKGQJR-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP CCc1cccc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000420287493 192200766 /nfs/dbraw/zinc/20/07/66/192200766.db2.gz GNSMHNGJCKGQJR-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000420323398 192227893 /nfs/dbraw/zinc/22/78/93/192227893.db2.gz UCROCZNGJIFXTA-SNVBAGLBSA-N 2 2 238.762 2.652 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000420323398 192227896 /nfs/dbraw/zinc/22/78/96/192227896.db2.gz UCROCZNGJIFXTA-SNVBAGLBSA-N 2 2 238.762 2.652 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cc1 ZINC000420367219 192225549 /nfs/dbraw/zinc/22/55/49/192225549.db2.gz MUVLAACELALRKA-WOSRLPQWSA-N 2 2 246.398 2.725 20 0 BFADLP CCCC1CCC([NH2+][C@@H]2CC[N@H+](C)C2)CC1 ZINC000042545048 356415355 /nfs/dbraw/zinc/41/53/55/356415355.db2.gz UCNGRKAXASGCOO-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC1CCC([NH2+][C@@H]2CC[N@@H+](C)C2)CC1 ZINC000042545048 356415360 /nfs/dbraw/zinc/41/53/60/356415360.db2.gz UCNGRKAXASGCOO-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000420408099 192239103 /nfs/dbraw/zinc/23/91/03/192239103.db2.gz OXCWIKOJUJKGAJ-VIFPVBQESA-N 2 2 244.741 2.739 20 0 BFADLP CC(C)(C)[C@@H]([NH2+]CC[NH3+])c1ccc(F)cc1F ZINC000420415271 192241003 /nfs/dbraw/zinc/24/10/03/192241003.db2.gz UZONNGFPSGTDDI-LBPRGKRZSA-N 2 2 242.313 2.600 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CC[NH+](CC)CC ZINC000068985441 324917740 /nfs/dbraw/zinc/91/77/40/324917740.db2.gz DLKUEIWSVCPUJR-CYBMUJFWSA-N 2 2 214.397 2.887 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422941897 192511407 /nfs/dbraw/zinc/51/14/07/192511407.db2.gz VYMSABXLXXOGJM-MAZHCROVSA-N 2 2 244.382 2.712 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)C[C@@H]1C ZINC000450428078 202162461 /nfs/dbraw/zinc/16/24/61/202162461.db2.gz GUJXCPFCLFTFRS-ILXRZTDVSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)C[C@@H]1C ZINC000450428078 202162465 /nfs/dbraw/zinc/16/24/65/202162465.db2.gz GUJXCPFCLFTFRS-ILXRZTDVSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000450428078 202162466 /nfs/dbraw/zinc/16/24/66/202162466.db2.gz GUJXCPFCLFTFRS-ILXRZTDVSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000450428078 202162470 /nfs/dbraw/zinc/16/24/70/202162470.db2.gz GUJXCPFCLFTFRS-ILXRZTDVSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)[C@H]1C ZINC000450467479 202175374 /nfs/dbraw/zinc/17/53/74/202175374.db2.gz LCWRTGIEDJZMJI-RBSFLKMASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)[C@H]1C ZINC000450467479 202175376 /nfs/dbraw/zinc/17/53/76/202175376.db2.gz LCWRTGIEDJZMJI-RBSFLKMASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000450467479 202175379 /nfs/dbraw/zinc/17/53/79/202175379.db2.gz LCWRTGIEDJZMJI-RBSFLKMASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000450467479 202175383 /nfs/dbraw/zinc/17/53/83/202175383.db2.gz LCWRTGIEDJZMJI-RBSFLKMASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000450454882 202170687 /nfs/dbraw/zinc/17/06/87/202170687.db2.gz MWIWRGCBYRGXRB-KFWWJZLASA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000450454882 202170690 /nfs/dbraw/zinc/17/06/90/202170690.db2.gz MWIWRGCBYRGXRB-KFWWJZLASA-N 2 2 238.419 2.837 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)s1 ZINC000020127000 356998800 /nfs/dbraw/zinc/99/88/00/356998800.db2.gz KDAADCYFEPRYFI-LBPRGKRZSA-N 2 2 238.400 2.803 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+]CC[NH+](C)C)c1 ZINC000022144698 357060232 /nfs/dbraw/zinc/06/02/32/357060232.db2.gz FZZSKUFJBHNFSV-ZDUSSCGKSA-N 2 2 220.360 2.516 20 0 BFADLP COC[C@@H]1CCC[N@@H+]1Cc1c(C)cc(C)[nH+]c1C ZINC000639891016 357212006 /nfs/dbraw/zinc/21/20/06/357212006.db2.gz DYKOXJYCHVSOQA-AWEZNQCLSA-N 2 2 248.370 2.618 20 0 BFADLP COC[C@@H]1CCC[N@H+]1Cc1c(C)cc(C)[nH+]c1C ZINC000639891016 357212008 /nfs/dbraw/zinc/21/20/08/357212008.db2.gz DYKOXJYCHVSOQA-AWEZNQCLSA-N 2 2 248.370 2.618 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000222005566 357225713 /nfs/dbraw/zinc/22/57/13/357225713.db2.gz NEDHMJBUQOIWRX-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000222005566 357225716 /nfs/dbraw/zinc/22/57/16/357225716.db2.gz NEDHMJBUQOIWRX-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000389379247 538816489 /nfs/dbraw/zinc/81/64/89/538816489.db2.gz MQWICQOTYMFIFI-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2C)C1 ZINC000389379247 538816493 /nfs/dbraw/zinc/81/64/93/538816493.db2.gz MQWICQOTYMFIFI-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423283197 192674889 /nfs/dbraw/zinc/67/48/89/192674889.db2.gz WQGLGYATYPOZRD-TVQRCGJNSA-N 2 2 242.313 2.599 20 0 BFADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000423288036 192680540 /nfs/dbraw/zinc/68/05/40/192680540.db2.gz QADNWHOMDOSWDO-NSHDSACASA-N 2 2 224.348 2.756 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000582677920 357367152 /nfs/dbraw/zinc/36/71/52/357367152.db2.gz XYGONSUUTVCPIO-GFCCVEGCSA-N 2 2 235.375 2.953 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CCCCCC1)[NH+](C)C ZINC000381502084 357384160 /nfs/dbraw/zinc/38/41/60/357384160.db2.gz PCVNAQHXIYNLSK-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)C1CCCC1 ZINC000157797809 538841006 /nfs/dbraw/zinc/84/10/06/538841006.db2.gz NPAACDKLQMEUON-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)C1CCCC1 ZINC000157797809 538841011 /nfs/dbraw/zinc/84/10/11/538841011.db2.gz NPAACDKLQMEUON-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000582914377 357435427 /nfs/dbraw/zinc/43/54/27/357435427.db2.gz AAONLCIPSSWOPD-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000582914377 357435433 /nfs/dbraw/zinc/43/54/33/357435433.db2.gz AAONLCIPSSWOPD-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063192174 357591887 /nfs/dbraw/zinc/59/18/87/357591887.db2.gz HCZKACZFGKYCJT-YNEHKIRRSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063192174 357591891 /nfs/dbraw/zinc/59/18/91/357591891.db2.gz HCZKACZFGKYCJT-YNEHKIRRSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397709771 357661161 /nfs/dbraw/zinc/66/11/61/357661161.db2.gz SLSLCJBXHNRDML-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)[C@@H](C[NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000232711240 357679986 /nfs/dbraw/zinc/67/99/86/357679986.db2.gz TYACJYFFJKPZBK-GDBMZVCRSA-N 2 2 248.414 2.966 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000232630687 357669580 /nfs/dbraw/zinc/66/95/80/357669580.db2.gz FTBSLXLYRMTKBZ-UKRRQHHQSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC[N@H+](C)C(C)C)C1 ZINC000232630687 357669581 /nfs/dbraw/zinc/66/95/81/357669581.db2.gz FTBSLXLYRMTKBZ-UKRRQHHQSA-N 2 2 238.419 2.909 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000182668398 538881828 /nfs/dbraw/zinc/88/18/28/538881828.db2.gz NBCVZAMBZXWBJG-GJZGRUSLSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000182668398 538881830 /nfs/dbraw/zinc/88/18/30/538881830.db2.gz NBCVZAMBZXWBJG-GJZGRUSLSA-N 2 2 247.386 2.928 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000233293257 357713038 /nfs/dbraw/zinc/71/30/38/357713038.db2.gz ORAQFSXJVBHZAA-LSDHHAIUSA-N 2 2 232.371 2.869 20 0 BFADLP CC[N@H+](C)CC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000233435650 357723245 /nfs/dbraw/zinc/72/32/45/357723245.db2.gz UXBABHBLHBIFHC-INIZCTEOSA-N 2 2 248.414 2.968 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000233435650 357723247 /nfs/dbraw/zinc/72/32/47/357723247.db2.gz UXBABHBLHBIFHC-INIZCTEOSA-N 2 2 248.414 2.968 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C1CC1 ZINC000233440398 357723285 /nfs/dbraw/zinc/72/32/85/357723285.db2.gz PGVOZAHZUYROSQ-GXTWGEPZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C)C1CC1 ZINC000233440398 357723289 /nfs/dbraw/zinc/72/32/89/357723289.db2.gz PGVOZAHZUYROSQ-GXTWGEPZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)c1[nH+]ccn1CC[C@@H]1CCCC[N@@H+]1C ZINC000232747383 357681066 /nfs/dbraw/zinc/68/10/66/357681066.db2.gz XTWKAKQLQYWWDO-ZDUSSCGKSA-N 2 2 235.375 2.881 20 0 BFADLP CC(C)c1[nH+]ccn1CC[C@@H]1CCCC[N@H+]1C ZINC000232747383 357681071 /nfs/dbraw/zinc/68/10/71/357681071.db2.gz XTWKAKQLQYWWDO-ZDUSSCGKSA-N 2 2 235.375 2.881 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000235293506 357852867 /nfs/dbraw/zinc/85/28/67/357852867.db2.gz LLSXUKGMMJAPDS-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000229593882 491116459 /nfs/dbraw/zinc/11/64/59/491116459.db2.gz WTLOTONQNZTXRD-KGLIPLIRSA-N 2 2 224.392 2.641 20 0 BFADLP CC1(C)CC[C@H]([N@@H+]2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC000168619091 134232000 /nfs/dbraw/zinc/23/20/00/134232000.db2.gz WUTCDYCWHVAKRO-UONOGXRCSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@H]([N@H+]2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC000168619091 134232001 /nfs/dbraw/zinc/23/20/01/134232001.db2.gz WUTCDYCWHVAKRO-UONOGXRCSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@H]([NH+]2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000168619091 134232002 /nfs/dbraw/zinc/23/20/02/134232002.db2.gz WUTCDYCWHVAKRO-UONOGXRCSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@H]([NH+]2CCC[N@H+]3CCC[C@@H]3C2)C1 ZINC000168619091 134232003 /nfs/dbraw/zinc/23/20/03/134232003.db2.gz WUTCDYCWHVAKRO-UONOGXRCSA-N 2 2 236.403 2.735 20 0 BFADLP Cc1ccc[nH+]c1NCc1c[nH+]c2ccccn12 ZINC000237757170 358013048 /nfs/dbraw/zinc/01/30/48/358013048.db2.gz UIYRIWUFAYVUOS-UHFFFAOYSA-N 2 2 238.294 2.650 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045094570 358400187 /nfs/dbraw/zinc/40/01/87/358400187.db2.gz ILLWNQOFKXLSFY-CYBMUJFWSA-N 2 2 223.364 2.688 20 0 BFADLP CCc1nc(N[C@H](CC)c2[nH]cc[nH+]2)cc(C)[nH+]1 ZINC000310769132 358445094 /nfs/dbraw/zinc/44/50/94/358445094.db2.gz SNXWASXBAQKJLE-SNVBAGLBSA-N 2 2 245.330 2.634 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684137 358551097 /nfs/dbraw/zinc/55/10/97/358551097.db2.gz OHSKECZAPMTTMW-ZFWWWQNUSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684137 358551101 /nfs/dbraw/zinc/55/11/01/358551101.db2.gz OHSKECZAPMTTMW-ZFWWWQNUSA-N 2 2 244.382 2.882 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044684118 358551404 /nfs/dbraw/zinc/55/14/04/358551404.db2.gz FAYBUDBDHAFBEP-OCCSQVGLSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044684118 358551407 /nfs/dbraw/zinc/55/14/07/358551407.db2.gz FAYBUDBDHAFBEP-OCCSQVGLSA-N 2 2 230.355 2.574 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044684149 358551821 /nfs/dbraw/zinc/55/18/21/358551821.db2.gz HLJOPRLJNYCZNB-GOEBONIOSA-N 2 2 244.382 2.964 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044684149 358551823 /nfs/dbraw/zinc/55/18/23/358551823.db2.gz HLJOPRLJNYCZNB-GOEBONIOSA-N 2 2 244.382 2.964 20 0 BFADLP CCCC(CCC)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044685031 358551854 /nfs/dbraw/zinc/55/18/54/358551854.db2.gz GPZYARVMTGDWOL-ZDUSSCGKSA-N 2 2 224.392 2.782 20 0 BFADLP CCCC(CCC)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044685031 358551857 /nfs/dbraw/zinc/55/18/57/358551857.db2.gz GPZYARVMTGDWOL-ZDUSSCGKSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129821856 358599015 /nfs/dbraw/zinc/59/90/15/358599015.db2.gz GVZLYTHIPYGYCF-MELADBBJSA-N 2 2 235.375 2.812 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129821856 358599017 /nfs/dbraw/zinc/59/90/17/358599017.db2.gz GVZLYTHIPYGYCF-MELADBBJSA-N 2 2 235.375 2.812 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131916098 358701493 /nfs/dbraw/zinc/70/14/93/358701493.db2.gz OVWDFGAHYCIOGA-JSGCOSHPSA-N 2 2 234.343 2.581 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131916098 358701495 /nfs/dbraw/zinc/70/14/95/358701495.db2.gz OVWDFGAHYCIOGA-JSGCOSHPSA-N 2 2 234.343 2.581 20 0 BFADLP CC(C)(C)CC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131925974 358701676 /nfs/dbraw/zinc/70/16/76/358701676.db2.gz KRBBYKLPOUHKRT-AWEZNQCLSA-N 2 2 248.370 2.971 20 0 BFADLP CC(C)(C)CC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131925974 358701679 /nfs/dbraw/zinc/70/16/79/358701679.db2.gz KRBBYKLPOUHKRT-AWEZNQCLSA-N 2 2 248.370 2.971 20 0 BFADLP CC1CCC([NH2+]CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000053343712 358825212 /nfs/dbraw/zinc/82/52/12/358825212.db2.gz YZTIERDTIUOLQQ-SLTAFYQDSA-N 2 2 238.419 2.887 20 0 BFADLP CC1CCC([NH2+]CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000053343712 358825215 /nfs/dbraw/zinc/82/52/15/358825215.db2.gz YZTIERDTIUOLQQ-SLTAFYQDSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)[C@@H]1C ZINC000070247810 359045247 /nfs/dbraw/zinc/04/52/47/359045247.db2.gz LKPDNHRXLUKKTL-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000071117287 359072635 /nfs/dbraw/zinc/07/26/35/359072635.db2.gz FBPABDWWFFPWSI-BFHYXJOUSA-N 2 2 235.375 2.830 20 0 BFADLP Cn1cc[nH+]c1CNc1cc[nH+]c2ccccc12 ZINC000071274294 359074987 /nfs/dbraw/zinc/07/49/87/359074987.db2.gz DYAKEICHLGIMQI-UHFFFAOYSA-N 2 2 238.294 2.580 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000247040015 359187966 /nfs/dbraw/zinc/18/79/66/359187966.db2.gz MRPACSCVDUIIQG-XNRPHZJLSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000247040015 359187973 /nfs/dbraw/zinc/18/79/73/359187973.db2.gz MRPACSCVDUIIQG-XNRPHZJLSA-N 2 2 244.382 2.604 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423381192 192757227 /nfs/dbraw/zinc/75/72/27/192757227.db2.gz NODCLRQMZAMXAR-IUODEOHRSA-N 2 2 247.386 2.521 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)C1CC1 ZINC000423495838 192794865 /nfs/dbraw/zinc/79/48/65/192794865.db2.gz CTZHBRKFRLJZCX-XHDPSFHLSA-N 2 2 232.371 2.637 20 0 BFADLP C/C=C\C[C@H]1CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000628495144 359696345 /nfs/dbraw/zinc/69/63/45/359696345.db2.gz JLXXYPFNNSPMMC-WSNITJDQSA-N 2 2 247.386 2.907 20 0 BFADLP CC(C)C[C@]1(C)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000451293146 202397684 /nfs/dbraw/zinc/39/76/84/202397684.db2.gz VGYAVNSPFWOFIZ-AWEZNQCLSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[C@]1(C)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000451293146 202397687 /nfs/dbraw/zinc/39/76/87/202397687.db2.gz VGYAVNSPFWOFIZ-AWEZNQCLSA-N 2 2 235.375 2.784 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2cccc(Cl)c2)C1 ZINC000578549568 366597560 /nfs/dbraw/zinc/59/75/60/366597560.db2.gz RSMJAALPPOVVCD-UHFFFAOYSA-N 2 2 238.762 2.522 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000088505427 359964965 /nfs/dbraw/zinc/96/49/65/359964965.db2.gz YMVYPBTUQGCCFY-LSDHHAIUSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000088505427 359964968 /nfs/dbraw/zinc/96/49/68/359964968.db2.gz YMVYPBTUQGCCFY-LSDHHAIUSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@H](C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000088512061 359964984 /nfs/dbraw/zinc/96/49/84/359964984.db2.gz VTUDYPHIQWQAMU-LBPRGKRZSA-N 2 2 221.348 2.566 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000089607761 360029775 /nfs/dbraw/zinc/02/97/75/360029775.db2.gz CWXUYHWVPPMRPH-HZSPNIEDSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H]1CCC[C@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000089605506 360030240 /nfs/dbraw/zinc/03/02/40/360030240.db2.gz UZYIKBLPLBYLDX-KBPBESRZSA-N 2 2 235.375 2.689 20 0 BFADLP C[C@H]1CCC[C@@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000089605510 360030341 /nfs/dbraw/zinc/03/03/41/360030341.db2.gz UZYIKBLPLBYLDX-UONOGXRCSA-N 2 2 235.375 2.689 20 0 BFADLP CC[N@H+](CC[C@H]1CC[NH2+]C1)c1ccccc1C ZINC000089749065 360036579 /nfs/dbraw/zinc/03/65/79/360036579.db2.gz RYVDPVKSMBXZJR-CQSZACIVSA-N 2 2 232.371 2.821 20 0 BFADLP CC[N@@H+](CC[C@H]1CC[NH2+]C1)c1ccccc1C ZINC000089749065 360036582 /nfs/dbraw/zinc/03/65/82/360036582.db2.gz RYVDPVKSMBXZJR-CQSZACIVSA-N 2 2 232.371 2.821 20 0 BFADLP CC[C@H]1C[C@H](C)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000093941338 360291040 /nfs/dbraw/zinc/29/10/40/360291040.db2.gz JPRPYXUSHJRTLC-RDBSUJKOSA-N 2 2 235.375 2.688 20 0 BFADLP c1cn(CC[NH2+]Cc2ccc(C3CC3)cc2)c[nH+]1 ZINC000094519354 360310355 /nfs/dbraw/zinc/31/03/55/360310355.db2.gz SFCIATURYFVGEX-UHFFFAOYSA-N 2 2 241.338 2.550 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000226019067 360528826 /nfs/dbraw/zinc/52/88/26/360528826.db2.gz SQCDIDITOWGHDX-YUELXQCFSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000226019067 360528830 /nfs/dbraw/zinc/52/88/30/360528830.db2.gz SQCDIDITOWGHDX-YUELXQCFSA-N 2 2 236.403 2.663 20 0 BFADLP Cc1[nH+]cccc1Cn1cc[nH+]c1C1CC1 ZINC000629260086 360982085 /nfs/dbraw/zinc/98/20/85/360982085.db2.gz PQKZLJGUFZEMAC-UHFFFAOYSA-N 2 2 213.284 2.512 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000629407269 361055958 /nfs/dbraw/zinc/05/59/58/361055958.db2.gz YKOXRNKSCHDRKC-SWLSCSKDSA-N 2 2 246.398 2.824 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1c(C)cccc1C ZINC000629390212 361037586 /nfs/dbraw/zinc/03/75/86/361037586.db2.gz AMUUFRBBHUXMFN-LSDHHAIUSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1C ZINC000629395707 361044420 /nfs/dbraw/zinc/04/44/20/361044420.db2.gz QFHMRSLFAYCBIQ-DOMZBBRYSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2coc3ccccc23)C[NH2+]1 ZINC000629415481 361061485 /nfs/dbraw/zinc/06/14/85/361061485.db2.gz QZIZPLJPQGDFNP-DGCLKSJQSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccc(F)cc2)C[NH2+]1 ZINC000629416767 361062215 /nfs/dbraw/zinc/06/22/15/361062215.db2.gz VLQHHXZVIAVYLZ-FKZRYSJHSA-N 2 2 248.345 2.569 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccn1 ZINC000629527383 361129665 /nfs/dbraw/zinc/12/96/65/361129665.db2.gz TZXVBGAPXXLOBS-NWANDNLSSA-N 2 2 247.386 2.653 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(F)cc1 ZINC000629524149 361121636 /nfs/dbraw/zinc/12/16/36/361121636.db2.gz MLKNBAKJZAQJHW-DDTOSNHZSA-N 2 2 236.334 2.617 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000629523592 361121886 /nfs/dbraw/zinc/12/18/86/361121886.db2.gz ICDJLZSVRXJXCS-AEGPPILISA-N 2 2 232.371 2.786 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000629525146 361125509 /nfs/dbraw/zinc/12/55/09/361125509.db2.gz YFYMWQBKLNUQTP-ARFHVFGLSA-N 2 2 244.382 2.794 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2C ZINC000629525764 361126654 /nfs/dbraw/zinc/12/66/54/361126654.db2.gz BDTIEPAORQQVNQ-ARFHVFGLSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@@H]1CCCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000579241024 366744139 /nfs/dbraw/zinc/74/41/39/366744139.db2.gz CORRYAJUEFZVHL-CYBMUJFWSA-N 2 2 235.375 2.617 20 0 BFADLP C[C@@H]1CCCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000579241024 366744142 /nfs/dbraw/zinc/74/41/42/366744142.db2.gz CORRYAJUEFZVHL-CYBMUJFWSA-N 2 2 235.375 2.617 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2cccc3ccoc32)C1 ZINC000579373889 366774677 /nfs/dbraw/zinc/77/46/77/366774677.db2.gz HUIZLRUWVUSLGF-UHFFFAOYSA-N 2 2 244.338 2.615 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c(C)s1 ZINC000629546556 361429692 /nfs/dbraw/zinc/42/96/92/361429692.db2.gz YYJZWPMTTYXEDD-OUJBWJOFSA-N 2 2 238.400 2.766 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)s1 ZINC000629547851 361432074 /nfs/dbraw/zinc/43/20/74/361432074.db2.gz KRURUQBHYJEVQK-JBLDHEPKSA-N 2 2 238.400 2.712 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C[NH2+]1 ZINC000629660255 361564567 /nfs/dbraw/zinc/56/45/67/361564567.db2.gz QSTDXXINPMRPOD-WBMJQRKESA-N 2 2 244.382 2.794 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154523788 201280779 /nfs/dbraw/zinc/28/07/79/201280779.db2.gz IPDREJLNBUILEF-CJNGLKHVSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154523788 201280783 /nfs/dbraw/zinc/28/07/83/201280783.db2.gz IPDREJLNBUILEF-CJNGLKHVSA-N 2 2 246.398 2.994 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000155709233 201347040 /nfs/dbraw/zinc/34/70/40/201347040.db2.gz AOQNZYJLRXZEFF-STQMWFEESA-N 2 2 223.364 2.688 20 0 BFADLP CCCC[C@H](C)[NH2+]CC[N@H+](CC)C1CC1 ZINC000155857440 201358470 /nfs/dbraw/zinc/35/84/70/201358470.db2.gz QUJCTAVIWPIZSW-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](C)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000155857440 201358472 /nfs/dbraw/zinc/35/84/72/201358472.db2.gz QUJCTAVIWPIZSW-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccs1 ZINC000398992051 364667205 /nfs/dbraw/zinc/66/72/05/364667205.db2.gz MDLPCQBUFVUYIR-SRVKXCTJSA-N 2 2 238.400 2.929 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C[NH2+]1 ZINC000399041074 364749432 /nfs/dbraw/zinc/74/94/32/364749432.db2.gz QDJXVNSSMJWUPB-ZWNOBZJWSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C[NH2+]1 ZINC000399064105 364762889 /nfs/dbraw/zinc/76/28/89/364762889.db2.gz AUXJYHUBPIRTGA-XPKDYRNWSA-N 2 2 244.382 2.794 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+]CC1(C)CC1 ZINC000573896868 364940097 /nfs/dbraw/zinc/94/00/97/364940097.db2.gz RLRWLTCCIDGAKQ-UHFFFAOYSA-N 2 2 243.354 2.734 20 0 BFADLP CC[NH2+]CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000574683375 365118328 /nfs/dbraw/zinc/11/83/28/365118328.db2.gz DUBBPYPQIBEZKK-JTQLQIEISA-N 2 2 242.313 2.615 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC[C@H](F)C1 ZINC000574847270 365159166 /nfs/dbraw/zinc/15/91/66/365159166.db2.gz YWWZCYGRBUTISB-KBPBESRZSA-N 2 2 236.334 2.803 20 0 BFADLP C[C@H]1CCC[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000182682301 366932723 /nfs/dbraw/zinc/93/27/23/366932723.db2.gz TWWBGXSSRBKKQY-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H]1CCC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000182682301 366932728 /nfs/dbraw/zinc/93/27/28/366932728.db2.gz TWWBGXSSRBKKQY-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CCCC[C@H]([NH2+]CCn1cc[nH+]c1)C1CCC1 ZINC000184872152 367104894 /nfs/dbraw/zinc/10/48/94/367104894.db2.gz ZSTBTABIKUTXHJ-AWEZNQCLSA-N 2 2 235.375 2.832 20 0 BFADLP CC[NH2+]CCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000580827600 367178440 /nfs/dbraw/zinc/17/84/40/367178440.db2.gz IWHOLVOYYQNPQN-SNVBAGLBSA-N 2 2 242.313 2.615 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000381337999 367382837 /nfs/dbraw/zinc/38/28/37/367382837.db2.gz WNPSMTAECBGEGQ-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000381337999 367382844 /nfs/dbraw/zinc/38/28/44/367382844.db2.gz WNPSMTAECBGEGQ-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000581618556 367638333 /nfs/dbraw/zinc/63/83/33/367638333.db2.gz GLYUOJUOAJOVTH-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCCC12CC2 ZINC000581618556 367638335 /nfs/dbraw/zinc/63/83/35/367638335.db2.gz GLYUOJUOAJOVTH-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)C1CCC(C[NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000383744071 367651275 /nfs/dbraw/zinc/65/12/75/367651275.db2.gz CUFIBHXBDJBFDI-WLYUNCDWSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCCC1 ZINC000581678426 367707781 /nfs/dbraw/zinc/70/77/81/367707781.db2.gz NYUUEUCNTHEWDD-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC000399152757 367691488 /nfs/dbraw/zinc/69/14/88/367691488.db2.gz BYQPPEGBYOBGSF-SUNKGSAMSA-N 2 2 236.334 2.617 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C ZINC000384645796 367711998 /nfs/dbraw/zinc/71/19/98/367711998.db2.gz BKDONSABNQXNQP-LBPRGKRZSA-N 2 2 214.397 2.741 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C ZINC000384645796 367712004 /nfs/dbraw/zinc/71/20/04/367712004.db2.gz BKDONSABNQXNQP-LBPRGKRZSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000385252336 367813441 /nfs/dbraw/zinc/81/34/41/367813441.db2.gz WFJLZDROAKGAKM-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H](C)CC(C)(C)C)C1CC1 ZINC000385092346 367788346 /nfs/dbraw/zinc/78/83/46/367788346.db2.gz GJIKIODEHRPKAT-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H](C)CC(C)(C)C)C1CC1 ZINC000385092346 367788352 /nfs/dbraw/zinc/78/83/52/367788352.db2.gz GJIKIODEHRPKAT-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000385103452 367790667 /nfs/dbraw/zinc/79/06/67/367790667.db2.gz IAQHJKRHKYFYCB-VXGBXAGGSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000385103452 367790672 /nfs/dbraw/zinc/79/06/72/367790672.db2.gz IAQHJKRHKYFYCB-VXGBXAGGSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)CC(C)(C)C ZINC000385271089 367815046 /nfs/dbraw/zinc/81/50/46/367815046.db2.gz YAWLVFBLEPQIRF-VXGBXAGGSA-N 2 2 223.364 2.686 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(C)(C)C ZINC000385181731 367805000 /nfs/dbraw/zinc/80/50/00/367805000.db2.gz PGKOZAOSTLDMSZ-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC(C)(C)C ZINC000385181731 367805007 /nfs/dbraw/zinc/80/50/07/367805007.db2.gz PGKOZAOSTLDMSZ-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(C)o1 ZINC000399171883 367850599 /nfs/dbraw/zinc/85/05/99/367850599.db2.gz IRLZQNZPFKCAMR-SUZMYJTESA-N 2 2 236.359 2.688 20 0 BFADLP Clc1ccsc1C[NH2+]CCC[NH+]1CCC1 ZINC000581893853 367884467 /nfs/dbraw/zinc/88/44/67/367884467.db2.gz BVSCSUWJMYXPIQ-UHFFFAOYSA-N 2 2 244.791 2.587 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCCC3)C[N@@H+]1C1CC1 ZINC000387227575 368117389 /nfs/dbraw/zinc/11/73/89/368117389.db2.gz HYZYXGLBIFRSPG-BZPMIXESSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CCCC3)C[N@H+]1C1CC1 ZINC000387227575 368117390 /nfs/dbraw/zinc/11/73/90/368117390.db2.gz HYZYXGLBIFRSPG-BZPMIXESSA-N 2 2 234.387 2.534 20 0 BFADLP Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000167571884 368352570 /nfs/dbraw/zinc/35/25/70/368352570.db2.gz BJGOIXDGNKKASK-CLLJXQQHSA-N 2 2 241.338 2.800 20 0 BFADLP CCCC[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069608681 368755879 /nfs/dbraw/zinc/75/58/79/368755879.db2.gz IJZNYRYSNWVDET-AWEZNQCLSA-N 2 2 224.392 2.737 20 0 BFADLP CCCC[N@H+]1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069608681 368755883 /nfs/dbraw/zinc/75/58/83/368755883.db2.gz IJZNYRYSNWVDET-AWEZNQCLSA-N 2 2 224.392 2.737 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000086906706 368886610 /nfs/dbraw/zinc/88/66/10/368886610.db2.gz ATSBNUJSLBWUAB-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459339836 203260621 /nfs/dbraw/zinc/26/06/21/203260621.db2.gz ASTNMYLGAYDKLE-HIFRSBDPSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459339836 203260623 /nfs/dbraw/zinc/26/06/23/203260623.db2.gz ASTNMYLGAYDKLE-HIFRSBDPSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459343927 203261016 /nfs/dbraw/zinc/26/10/16/203261016.db2.gz QWRJKIXCZWUDKG-HIFRSBDPSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459343927 203261019 /nfs/dbraw/zinc/26/10/19/203261019.db2.gz QWRJKIXCZWUDKG-HIFRSBDPSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H]1[C@H]([NH2+]C2CC(C(C)(C)C)C2)CCC[N@@H+]1C ZINC000459480602 203290954 /nfs/dbraw/zinc/29/09/54/203290954.db2.gz MDDZWYSFOFGDDS-BLYZHGLHSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1[C@H]([NH2+]C2CC(C(C)(C)C)C2)CCC[N@H+]1C ZINC000459480602 203290957 /nfs/dbraw/zinc/29/09/57/203290957.db2.gz MDDZWYSFOFGDDS-BLYZHGLHSA-N 2 2 238.419 2.883 20 0 BFADLP CC[N@H+](CC[NH2+]C1CC(C(C)(C)C)C1)C1CC1 ZINC000459409458 203276701 /nfs/dbraw/zinc/27/67/01/203276701.db2.gz YJRMBXIUGHKWDQ-UHFFFAOYSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+]C1CC(C(C)(C)C)C1)C1CC1 ZINC000459409458 203276705 /nfs/dbraw/zinc/27/67/05/203276705.db2.gz YJRMBXIUGHKWDQ-UHFFFAOYSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661621 203333270 /nfs/dbraw/zinc/33/32/70/203333270.db2.gz MTMDQZSAAQHGBI-CHWSQXEVSA-N 2 2 237.391 2.767 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661623 203333586 /nfs/dbraw/zinc/33/35/86/203333586.db2.gz MTMDQZSAAQHGBI-QWHCGFSZSA-N 2 2 237.391 2.767 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+]C1(C2CCC2)CCC1 ZINC000459767920 203361815 /nfs/dbraw/zinc/36/18/15/203361815.db2.gz LOWWKZUVRZMOIS-UHFFFAOYSA-N 2 2 236.403 2.785 20 0 BFADLP CCC1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CCC1 ZINC000165328745 203384074 /nfs/dbraw/zinc/38/40/74/203384074.db2.gz ZBMOWALDFIHQAU-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CCC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCC1 ZINC000165328745 203384077 /nfs/dbraw/zinc/38/40/77/203384077.db2.gz ZBMOWALDFIHQAU-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000252435050 370033482 /nfs/dbraw/zinc/03/34/82/370033482.db2.gz HSOXAHMYZYXRDR-HIFRSBDPSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000252435050 370033486 /nfs/dbraw/zinc/03/34/86/370033486.db2.gz HSOXAHMYZYXRDR-HIFRSBDPSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000309878726 370270998 /nfs/dbraw/zinc/27/09/98/370270998.db2.gz ULPJDICVDFNLFC-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000623984130 371217499 /nfs/dbraw/zinc/21/74/99/371217499.db2.gz YOHNTOHWUCCOAH-GOEBONIOSA-N 2 2 248.414 2.938 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1C ZINC000624101411 371307568 /nfs/dbraw/zinc/30/75/68/371307568.db2.gz DLTQOGTWLSFMEE-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1C ZINC000624101411 371307576 /nfs/dbraw/zinc/30/75/76/371307576.db2.gz DLTQOGTWLSFMEE-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101388 371307663 /nfs/dbraw/zinc/30/76/63/371307663.db2.gz CPDVZRRJUXVXPP-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101388 371307665 /nfs/dbraw/zinc/30/76/65/371307665.db2.gz CPDVZRRJUXVXPP-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101704 371308326 /nfs/dbraw/zinc/30/83/26/371308326.db2.gz WNPSMTAECBGEGQ-HZSPNIEDSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101704 371308329 /nfs/dbraw/zinc/30/83/29/371308329.db2.gz WNPSMTAECBGEGQ-HZSPNIEDSA-N 2 2 226.408 2.885 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@H]2CCCC23CC3)[nH+]1 ZINC000631194290 372226295 /nfs/dbraw/zinc/22/62/95/372226295.db2.gz XJVLIAQFVMEJPU-ZDUSSCGKSA-N 2 2 241.338 2.757 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000631243221 372257254 /nfs/dbraw/zinc/25/72/54/372257254.db2.gz WOGMLNYRDIITQE-GFCCVEGCSA-N 2 2 236.359 2.550 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000631243221 372257256 /nfs/dbraw/zinc/25/72/56/372257256.db2.gz WOGMLNYRDIITQE-GFCCVEGCSA-N 2 2 236.359 2.550 20 0 BFADLP CCC1CCC([NH2+][C@H]2CCC[N@H+](C)C2)CC1 ZINC000040671737 373588378 /nfs/dbraw/zinc/58/83/78/373588378.db2.gz ZPOBFOKXNQSWNT-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CCC([NH2+][C@H]2CCC[N@@H+](C)C2)CC1 ZINC000040671737 373588382 /nfs/dbraw/zinc/58/83/82/373588382.db2.gz ZPOBFOKXNQSWNT-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCCCC1 ZINC000167341056 206143928 /nfs/dbraw/zinc/14/39/28/206143928.db2.gz ANDDJKRTCRBZRE-GXTWGEPZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](CCC1CCCC1)[NH2+]C[C@H](C)[NH+](C)C ZINC000167340033 206144192 /nfs/dbraw/zinc/14/41/92/206144192.db2.gz AOCBSABCZWDYIE-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc(CCC[NH2+]C(C)(C)C[NH+](C)C)cc1 ZINC000459544304 206133492 /nfs/dbraw/zinc/13/34/92/206133492.db2.gz DGPBDGDJVUBOGM-UHFFFAOYSA-N 2 2 248.414 2.857 20 0 BFADLP c1c[nH+]c(CNc2ccc(C3CCC3)c[nH+]2)[nH]1 ZINC000292884381 183324912 /nfs/dbraw/zinc/32/49/12/183324912.db2.gz CHIDCJGLCYRMLS-UHFFFAOYSA-N 2 2 228.299 2.684 20 0 BFADLP CCC[N@@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000354432932 169197846 /nfs/dbraw/zinc/19/78/46/169197846.db2.gz PRTSLUGGBNRKGM-MCIONIFRSA-N 2 2 224.392 2.734 20 0 BFADLP CCC[N@H+]1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000354432932 169197847 /nfs/dbraw/zinc/19/78/47/169197847.db2.gz PRTSLUGGBNRKGM-MCIONIFRSA-N 2 2 224.392 2.734 20 0 BFADLP c1cc2[nH+]ccc(NCC[NH+]3CCCC3)c2s1 ZINC000271587750 183357004 /nfs/dbraw/zinc/35/70/04/183357004.db2.gz FTNSGXVXGDIQEU-UHFFFAOYSA-N 2 2 247.367 2.804 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000161349080 169259275 /nfs/dbraw/zinc/25/92/75/169259275.db2.gz IKPFMCBVJSKWCO-UHFFFAOYSA-N 2 2 240.778 2.738 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370680921 169369526 /nfs/dbraw/zinc/36/95/26/169369526.db2.gz BOYAWACMWZGYTM-YPMHNXCESA-N 2 2 235.375 2.847 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000183176984 134348850 /nfs/dbraw/zinc/34/88/50/134348850.db2.gz OWNIKCORCWJUAH-BETUJISGSA-N 2 2 221.348 2.536 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000183176984 134348851 /nfs/dbraw/zinc/34/88/51/134348851.db2.gz OWNIKCORCWJUAH-BETUJISGSA-N 2 2 221.348 2.536 20 0 BFADLP CCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034990954 383822112 /nfs/dbraw/zinc/82/21/12/383822112.db2.gz IVIGFLYPTASSJZ-UHFFFAOYSA-N 2 2 229.327 2.762 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000401770783 383980511 /nfs/dbraw/zinc/98/05/11/383980511.db2.gz JIIVRHFKTLYVTA-IACUBPJLSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)o1 ZINC000037158005 383948192 /nfs/dbraw/zinc/94/81/92/383948192.db2.gz JEIGIONUIOIFMV-JQWIXIFHSA-N 2 2 233.315 2.524 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)c1 ZINC000037249333 383965230 /nfs/dbraw/zinc/96/52/30/383965230.db2.gz VUOQCHLXAUPGDG-CQSZACIVSA-N 2 2 243.354 2.932 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](Cc1ccccn1)C(C)C ZINC000569437209 384026265 /nfs/dbraw/zinc/02/62/65/384026265.db2.gz AWGZDRPQYLPBIX-CQSZACIVSA-N 2 2 249.402 2.665 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](Cc1ccccn1)C(C)C ZINC000569437209 384026269 /nfs/dbraw/zinc/02/62/69/384026269.db2.gz AWGZDRPQYLPBIX-CQSZACIVSA-N 2 2 249.402 2.665 20 0 BFADLP CCC[C@@H]([NH2+]CC[N@H+](C)CC)C1CCCC1 ZINC000313393805 384012746 /nfs/dbraw/zinc/01/27/46/384012746.db2.gz NBINRHUXCXCZSL-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@@H]([NH2+]CC[N@@H+](C)CC)C1CCCC1 ZINC000313393805 384012752 /nfs/dbraw/zinc/01/27/52/384012752.db2.gz NBINRHUXCXCZSL-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000020525488 384059483 /nfs/dbraw/zinc/05/94/83/384059483.db2.gz MEQVBULIYLNYEG-HNNXBMFYSA-N 2 2 246.398 2.950 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000038088785 384066222 /nfs/dbraw/zinc/06/62/22/384066222.db2.gz YTOXPUGTZFJNRQ-GXTWGEPZSA-N 2 2 220.360 2.677 20 0 BFADLP Cc1ccc(F)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000116912012 384158091 /nfs/dbraw/zinc/15/80/91/384158091.db2.gz SZKIESBYVVORDB-UHFFFAOYSA-N 2 2 247.317 2.511 20 0 BFADLP Cc1cc(C)c(C[NH2+]CCn2cc[nH+]c2)cc1C ZINC000041063334 384174963 /nfs/dbraw/zinc/17/49/63/384174963.db2.gz UWPCWAAINBKDOJ-UHFFFAOYSA-N 2 2 243.354 2.598 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041064031 384176273 /nfs/dbraw/zinc/17/62/73/384176273.db2.gz QHMOGEZZXJAQPK-CYBMUJFWSA-N 2 2 243.354 2.796 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1Cl ZINC000041064024 384176325 /nfs/dbraw/zinc/17/63/25/384176325.db2.gz YTDBXYQSASQWKV-LLVKDONJSA-N 2 2 249.745 2.887 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c[nH+]2)CC(C)(C)C1 ZINC000313263286 384177705 /nfs/dbraw/zinc/17/77/05/384177705.db2.gz LRNRROOOGODSHZ-TZMCWYRMSA-N 2 2 249.402 2.767 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313264370 384179826 /nfs/dbraw/zinc/17/98/26/384179826.db2.gz FHAUYZVFPQVRJT-STQMWFEESA-N 2 2 235.375 2.521 20 0 BFADLP c1cn(CC[NH2+][C@@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000041119799 384181242 /nfs/dbraw/zinc/18/12/42/384181242.db2.gz ZACKPVLMDXBBCN-HNNXBMFYSA-N 2 2 241.338 2.624 20 0 BFADLP c1cn(C2CC[NH+](C[C@H]3CC=CCC3)CC2)c[nH+]1 ZINC000092648414 384187469 /nfs/dbraw/zinc/18/74/69/384187469.db2.gz DFOUJXQBPDWEBW-AWEZNQCLSA-N 2 2 245.370 2.876 20 0 BFADLP CCC[C@@H](CC)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000132699937 384199913 /nfs/dbraw/zinc/19/99/13/384199913.db2.gz OBLWXSXLQFSOPK-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP Cn1c[nH+]c(CC[NH2+]CC2CCCCCC2)c1 ZINC000313292749 384236295 /nfs/dbraw/zinc/23/62/95/384236295.db2.gz IIVARIOTGQSZIP-UHFFFAOYSA-N 2 2 235.375 2.523 20 0 BFADLP Cc1ccccc1C1([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000647315899 384212492 /nfs/dbraw/zinc/21/24/92/384212492.db2.gz FKJWWHVROAXULS-UKRRQHHQSA-N 2 2 244.382 2.524 20 0 BFADLP Cc1ccccc1C1([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000647315899 384212496 /nfs/dbraw/zinc/21/24/96/384212496.db2.gz FKJWWHVROAXULS-UKRRQHHQSA-N 2 2 244.382 2.524 20 0 BFADLP Cc1ccccc1C1([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000647315900 384212847 /nfs/dbraw/zinc/21/28/47/384212847.db2.gz FKJWWHVROAXULS-ZFWWWQNUSA-N 2 2 244.382 2.524 20 0 BFADLP Cc1ccccc1C1([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000647315900 384212850 /nfs/dbraw/zinc/21/28/50/384212850.db2.gz FKJWWHVROAXULS-ZFWWWQNUSA-N 2 2 244.382 2.524 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCC3)C[N@@H+]1C1CC1 ZINC000449182057 384256721 /nfs/dbraw/zinc/25/67/21/384256721.db2.gz BPFXYJKDBRXQQL-IPYPFGDCSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CCC3)C[N@H+]1C1CC1 ZINC000449182057 384256723 /nfs/dbraw/zinc/25/67/23/384256723.db2.gz BPFXYJKDBRXQQL-IPYPFGDCSA-N 2 2 248.414 2.924 20 0 BFADLP Clc1sccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000312665154 384307980 /nfs/dbraw/zinc/30/79/80/384307980.db2.gz BCWXHSFGYWIZFE-UHFFFAOYSA-N 2 2 244.791 2.633 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+][C@H](C)C3CC3)cn21 ZINC000647262652 384311681 /nfs/dbraw/zinc/31/16/81/384311681.db2.gz IQZFDODUUUOUDU-GFCCVEGCSA-N 2 2 243.354 2.573 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)c1ccccc1 ZINC000076399738 384371654 /nfs/dbraw/zinc/37/16/54/384371654.db2.gz PKQCOIPQUABPAA-LBPRGKRZSA-N 2 2 243.354 2.866 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566418702 384426926 /nfs/dbraw/zinc/42/69/26/384426926.db2.gz KYTYQJGUPJBOPE-ZDUSSCGKSA-N 2 2 235.375 2.617 20 0 BFADLP CC[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000566418702 384426932 /nfs/dbraw/zinc/42/69/32/384426932.db2.gz KYTYQJGUPJBOPE-ZDUSSCGKSA-N 2 2 235.375 2.617 20 0 BFADLP Cc1cccc(CC[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000449231115 384449902 /nfs/dbraw/zinc/44/99/02/384449902.db2.gz CPYZYRLCEPUDFF-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000449231115 384449909 /nfs/dbraw/zinc/44/99/09/384449909.db2.gz CPYZYRLCEPUDFF-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP CCCC[NH+](CCCC)CCn1cc[nH+]c1 ZINC000148373034 384452988 /nfs/dbraw/zinc/45/29/88/384452988.db2.gz CDCFGAWEFMZCRH-UHFFFAOYSA-N 2 2 223.364 2.785 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000448022843 384474818 /nfs/dbraw/zinc/47/48/18/384474818.db2.gz QDVZQAMMMSURLH-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000448022843 384474823 /nfs/dbraw/zinc/47/48/23/384474823.db2.gz QDVZQAMMMSURLH-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)o1 ZINC000161527234 384499917 /nfs/dbraw/zinc/49/99/17/384499917.db2.gz RJZLKLNLRYPAJF-LLVKDONJSA-N 2 2 236.359 2.587 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000556868293 384561211 /nfs/dbraw/zinc/56/12/11/384561211.db2.gz QSPRLZFFEAULAR-JURCDPSOSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000556868293 384561215 /nfs/dbraw/zinc/56/12/15/384561215.db2.gz QSPRLZFFEAULAR-JURCDPSOSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccn1 ZINC000049856297 384575340 /nfs/dbraw/zinc/57/53/40/384575340.db2.gz XROZHQSSUPMVEE-ZIAGYGMSSA-N 2 2 247.386 2.607 20 0 BFADLP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccn1 ZINC000049856297 384575346 /nfs/dbraw/zinc/57/53/46/384575346.db2.gz XROZHQSSUPMVEE-ZIAGYGMSSA-N 2 2 247.386 2.607 20 0 BFADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccn1 ZINC000049856293 384576565 /nfs/dbraw/zinc/57/65/65/384576565.db2.gz XROZHQSSUPMVEE-KGLIPLIRSA-N 2 2 247.386 2.607 20 0 BFADLP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccn1 ZINC000049856293 384576567 /nfs/dbraw/zinc/57/65/67/384576567.db2.gz XROZHQSSUPMVEE-KGLIPLIRSA-N 2 2 247.386 2.607 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[NH+]3CCC2CC3)cc1C ZINC000368040493 384585133 /nfs/dbraw/zinc/58/51/33/384585133.db2.gz IZLVIGNVXHMTES-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP Cc1ccc(C[N@H+]2CC[NH+]3CCC2CC3)cc1C ZINC000368040493 384585134 /nfs/dbraw/zinc/58/51/34/384585134.db2.gz IZLVIGNVXHMTES-UHFFFAOYSA-N 2 2 244.382 2.583 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000449257393 384585896 /nfs/dbraw/zinc/58/58/96/384585896.db2.gz IRFFZJZMVBMAQK-RFGFWPKPSA-N 2 2 247.386 2.612 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000310037533 384590990 /nfs/dbraw/zinc/59/09/90/384590990.db2.gz VFPQSVAKYMDOBW-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP C[N@H+](CCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000162227379 384589344 /nfs/dbraw/zinc/58/93/44/384589344.db2.gz OGTFZWIZCWYLCN-UHFFFAOYSA-N 2 2 249.745 2.669 20 0 BFADLP C[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1Cl ZINC000162227379 384589351 /nfs/dbraw/zinc/58/93/51/384589351.db2.gz OGTFZWIZCWYLCN-UHFFFAOYSA-N 2 2 249.745 2.669 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccsc1 ZINC000050343353 384618013 /nfs/dbraw/zinc/61/80/13/384618013.db2.gz FRGDSFHMOPLYRL-QWRGUYRKSA-N 2 2 235.356 2.684 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccsc1 ZINC000050343359 384618664 /nfs/dbraw/zinc/61/86/64/384618664.db2.gz FRGDSFHMOPLYRL-WDEREUQCSA-N 2 2 235.356 2.684 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@H]2C[C@@H]2C)c[nH+]1 ZINC000309806505 384633675 /nfs/dbraw/zinc/63/36/75/384633675.db2.gz SGPKVTBEAYJBPV-SMDDNHRTSA-N 2 2 218.344 2.568 20 0 BFADLP C[C@H](CC[NH2+]Cc1ccco1)[NH+]1CCCCC1 ZINC000184332854 384595223 /nfs/dbraw/zinc/59/52/23/384595223.db2.gz QYTUPGCTQXGCNF-CYBMUJFWSA-N 2 2 236.359 2.634 20 0 BFADLP c1ccc(NCCC[NH2+]C[C@@H]2CC=CCC2)[nH+]c1 ZINC000124436399 384643399 /nfs/dbraw/zinc/64/33/99/384643399.db2.gz SVEACJJPCUZDGI-CQSZACIVSA-N 2 2 245.370 2.830 20 0 BFADLP c1cn(Cc2ccc(NC3CCCC3)[nH+]c2)c[nH+]1 ZINC000353120172 384648708 /nfs/dbraw/zinc/64/87/08/384648708.db2.gz AKDKMUSCVWQTNP-UHFFFAOYSA-N 2 2 242.326 2.681 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccnc1 ZINC000185141533 384683874 /nfs/dbraw/zinc/68/38/74/384683874.db2.gz STHYWODEDDDUAY-GJZGRUSLSA-N 2 2 247.386 2.607 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccnc1 ZINC000185141533 384683880 /nfs/dbraw/zinc/68/38/80/384683880.db2.gz STHYWODEDDDUAY-GJZGRUSLSA-N 2 2 247.386 2.607 20 0 BFADLP CCC1CC([NH2+][C@@H](CC(C)C)C[NH+](C)C)C1 ZINC000310000840 384777931 /nfs/dbraw/zinc/77/79/31/384777931.db2.gz DUMBVSOQJJEZAP-RUXDESIVSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000022217455 384742639 /nfs/dbraw/zinc/74/26/39/384742639.db2.gz YVPHSGWEVVXRHE-CYBMUJFWSA-N 2 2 240.778 2.942 20 0 BFADLP Fc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCCC3)c1 ZINC000647553960 384768077 /nfs/dbraw/zinc/76/80/77/384768077.db2.gz NWDSXHGKXNGGME-AWEZNQCLSA-N 2 2 248.345 2.590 20 0 BFADLP C[C@H]([NH3+])C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000081143909 384770297 /nfs/dbraw/zinc/77/02/97/384770297.db2.gz QPLSLFRNODDSFE-ZDUSSCGKSA-N 2 2 240.350 2.713 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000363783166 384835911 /nfs/dbraw/zinc/83/59/11/384835911.db2.gz IZKPLGJOJKAASA-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000363783166 384835916 /nfs/dbraw/zinc/83/59/16/384835916.db2.gz IZKPLGJOJKAASA-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC[C@H]1C ZINC000309746436 384791241 /nfs/dbraw/zinc/79/12/41/384791241.db2.gz FSNKEPPFLDJFSW-TZMCWYRMSA-N 2 2 218.344 2.711 20 0 BFADLP Cc1cc(C[N@@H+](C)[C@@H](C[NH3+])C2CC2)c(C)s1 ZINC000126550466 384806648 /nfs/dbraw/zinc/80/66/48/384806648.db2.gz GLKURPFYJRCBEB-ZDUSSCGKSA-N 2 2 238.400 2.534 20 0 BFADLP Cc1cc(C[N@H+](C)[C@@H](C[NH3+])C2CC2)c(C)s1 ZINC000126550466 384806663 /nfs/dbraw/zinc/80/66/63/384806663.db2.gz GLKURPFYJRCBEB-ZDUSSCGKSA-N 2 2 238.400 2.534 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000054763475 384850307 /nfs/dbraw/zinc/85/03/07/384850307.db2.gz TXBJHEADMUEMHJ-VIFPVBQESA-N 2 2 235.718 2.914 20 0 BFADLP CC(C)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000054764379 384852313 /nfs/dbraw/zinc/85/23/13/384852313.db2.gz DOWIGMNYTUFSCR-CQSZACIVSA-N 2 2 229.327 2.897 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000086845110 384893666 /nfs/dbraw/zinc/89/36/66/384893666.db2.gz YRJYGAOKYGJYFU-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCCC1(C)C ZINC000086845110 384893671 /nfs/dbraw/zinc/89/36/71/384893671.db2.gz YRJYGAOKYGJYFU-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)CC1(C)C ZINC000569351366 385004103 /nfs/dbraw/zinc/00/41/03/385004103.db2.gz ARKNHKAENCXQJA-ZDUSSCGKSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)CC1(C)C ZINC000569351366 385004110 /nfs/dbraw/zinc/00/41/10/385004110.db2.gz ARKNHKAENCXQJA-ZDUSSCGKSA-N 2 2 249.402 2.721 20 0 BFADLP CC[C@H]1CCC[C@@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000368216357 385004145 /nfs/dbraw/zinc/00/41/45/385004145.db2.gz ROKPZSKFQAVRCM-UONOGXRCSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@H]1CCC[C@@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000368216357 385004149 /nfs/dbraw/zinc/00/41/49/385004149.db2.gz ROKPZSKFQAVRCM-UONOGXRCSA-N 2 2 247.386 2.915 20 0 BFADLP c1cn(CC[NH2+][C@@H]2CCCc3sccc32)c[nH+]1 ZINC000061328849 385113773 /nfs/dbraw/zinc/11/37/73/385113773.db2.gz SZMXLKQVWVBPQT-GFCCVEGCSA-N 2 2 247.367 2.612 20 0 BFADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccco1 ZINC000128892029 385086246 /nfs/dbraw/zinc/08/62/46/385086246.db2.gz QNGILYTYUZNBEW-CYBMUJFWSA-N 2 2 236.359 2.586 20 0 BFADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccco1 ZINC000128892029 385086250 /nfs/dbraw/zinc/08/62/50/385086250.db2.gz QNGILYTYUZNBEW-CYBMUJFWSA-N 2 2 236.359 2.586 20 0 BFADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccco1 ZINC000128892029 385086253 /nfs/dbraw/zinc/08/62/53/385086253.db2.gz QNGILYTYUZNBEW-CYBMUJFWSA-N 2 2 236.359 2.586 20 0 BFADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccco1 ZINC000128892029 385086258 /nfs/dbraw/zinc/08/62/58/385086258.db2.gz QNGILYTYUZNBEW-CYBMUJFWSA-N 2 2 236.359 2.586 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)C1CCC1 ZINC000177923116 385146025 /nfs/dbraw/zinc/14/60/25/385146025.db2.gz JWYBEGIIFPNYOL-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CCCC12CCCCC2 ZINC000313017076 385160251 /nfs/dbraw/zinc/16/02/51/385160251.db2.gz PCYZMDBHVXWVJH-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1ccc([C@H](C[NH2+][C@H](C)C2CC2)[NH+](C)C)cc1 ZINC000177267663 385213155 /nfs/dbraw/zinc/21/31/55/385213155.db2.gz XIOYUKXVXVZWJE-CJNGLKHVSA-N 2 2 246.398 2.986 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000300997450 385226822 /nfs/dbraw/zinc/22/68/22/385226822.db2.gz WOCGNZABXLPEAN-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000300997450 385226826 /nfs/dbraw/zinc/22/68/26/385226826.db2.gz WOCGNZABXLPEAN-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000559919156 385229534 /nfs/dbraw/zinc/22/95/34/385229534.db2.gz LNPFFUJEOJQIJQ-RDBSUJKOSA-N 2 2 234.387 2.700 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000559919156 385229539 /nfs/dbraw/zinc/22/95/39/385229539.db2.gz LNPFFUJEOJQIJQ-RDBSUJKOSA-N 2 2 234.387 2.700 20 0 BFADLP Cc1ccc(N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000164794432 385308258 /nfs/dbraw/zinc/30/82/58/385308258.db2.gz DEPWGIWXFCZOSD-SOUVJXGZSA-N 2 2 245.370 2.723 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020010666 385262680 /nfs/dbraw/zinc/26/26/80/385262680.db2.gz SNGUYUWEOWHQNZ-BFHYXJOUSA-N 2 2 228.424 2.987 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000154537860 385335787 /nfs/dbraw/zinc/33/57/87/385335787.db2.gz AEJDDXZYWXMMAP-CABCVRRESA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000154537860 385335791 /nfs/dbraw/zinc/33/57/91/385335791.db2.gz AEJDDXZYWXMMAP-CABCVRRESA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)C1CC1 ZINC000131466476 385337897 /nfs/dbraw/zinc/33/78/97/385337897.db2.gz ASDIEVGXMISHGJ-AWEZNQCLSA-N 2 2 218.344 2.711 20 0 BFADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)C1CC1 ZINC000131466673 385338046 /nfs/dbraw/zinc/33/80/46/385338046.db2.gz ASDIEVGXMISHGJ-CQSZACIVSA-N 2 2 218.344 2.711 20 0 BFADLP CC/C=C/C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000295016962 385380483 /nfs/dbraw/zinc/38/04/83/385380483.db2.gz KDPAVVPSGHAJRP-ONEGZZNKSA-N 2 2 241.338 2.928 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H](C)c1ccccc1 ZINC000155659587 385404328 /nfs/dbraw/zinc/40/43/28/385404328.db2.gz DLCPMZSALOSVQK-UONOGXRCSA-N 2 2 243.354 2.665 20 0 BFADLP c1csc([C@H]2CCC[N@H+]2Cc2c[nH+]c[nH]2)c1 ZINC000179691971 385483875 /nfs/dbraw/zinc/48/38/75/385483875.db2.gz MOZIFNSHYORQNS-LLVKDONJSA-N 2 2 233.340 2.808 20 0 BFADLP c1csc([C@H]2CCC[N@@H+]2Cc2c[nH+]c[nH]2)c1 ZINC000179691971 385483879 /nfs/dbraw/zinc/48/38/79/385483879.db2.gz MOZIFNSHYORQNS-LLVKDONJSA-N 2 2 233.340 2.808 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+]CC[NH+]1CCCC1 ZINC000171049075 385463500 /nfs/dbraw/zinc/46/35/00/385463500.db2.gz GRRRMLJJJQUGFI-SQFISAMPSA-N 2 2 244.382 2.775 20 0 BFADLP CC[C@@H](C)C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179753721 385490466 /nfs/dbraw/zinc/49/04/66/385490466.db2.gz IQNFPFAZMAENLK-GFCCVEGCSA-N 2 2 231.343 2.812 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CCCC[C@H]1C ZINC000449064894 385495312 /nfs/dbraw/zinc/49/53/12/385495312.db2.gz WUPUQWVGNOJVTD-HZSPNIEDSA-N 2 2 235.375 2.688 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CCCCC12CCCC2 ZINC000309241835 385496745 /nfs/dbraw/zinc/49/67/45/385496745.db2.gz KXOGRNDGXXYQPT-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)[NH+](C)C ZINC000309286635 385509721 /nfs/dbraw/zinc/50/97/21/385509721.db2.gz GOKKRDGJRXNBDZ-XJFOESAGSA-N 2 2 226.408 2.597 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)[NH+](C)C ZINC000309286634 385509891 /nfs/dbraw/zinc/50/98/91/385509891.db2.gz GOKKRDGJRXNBDZ-REWJHTLYSA-N 2 2 226.408 2.597 20 0 BFADLP C[C@H]([NH2+]CC[NH+](C)C)[C@@H](C)C1CCCCC1 ZINC000309495587 385617196 /nfs/dbraw/zinc/61/71/96/385617196.db2.gz TVSQBZGLHVHBID-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C1CC1 ZINC000337399078 385644720 /nfs/dbraw/zinc/64/47/20/385644720.db2.gz QLNBORNWEPPGHU-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C)C1CC1 ZINC000337399078 385644727 /nfs/dbraw/zinc/64/47/27/385644727.db2.gz QLNBORNWEPPGHU-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)CC[C@H]([NH2+]CC[NH+](C)C)C(C)(C)C ZINC000390261776 385662059 /nfs/dbraw/zinc/66/20/59/385662059.db2.gz OAPQGNYWPLYSQD-ZDUSSCGKSA-N 2 2 228.424 2.989 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000336735300 385694526 /nfs/dbraw/zinc/69/45/26/385694526.db2.gz LPMPXQUHBBQQEX-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000336735300 385694531 /nfs/dbraw/zinc/69/45/31/385694531.db2.gz LPMPXQUHBBQQEX-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CSc1ccccc1[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000282185940 385738917 /nfs/dbraw/zinc/73/89/17/385738917.db2.gz WFGLLJOHDYDQRA-SNVBAGLBSA-N 2 2 247.367 2.982 20 0 BFADLP Cc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)nc1 ZINC000414861681 385752498 /nfs/dbraw/zinc/75/24/98/385752498.db2.gz SVPBITWRNXSRBE-UHFFFAOYSA-N 2 2 247.386 2.531 20 0 BFADLP CC[N@H+](CC[NH2+][C@H](C)CCC1CC1)C1CC1 ZINC000186308335 385756168 /nfs/dbraw/zinc/75/61/68/385756168.db2.gz AOSGPLZWQVOFRL-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H](C)CCC1CC1)C1CC1 ZINC000186308335 385756173 /nfs/dbraw/zinc/75/61/73/385756173.db2.gz AOSGPLZWQVOFRL-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[N@H+](C)CCn1cc[nH+]c1)c1ccccc1 ZINC000270916608 385760434 /nfs/dbraw/zinc/76/04/34/385760434.db2.gz UKKHMKJBGMADBX-AWEZNQCLSA-N 2 2 243.354 2.619 20 0 BFADLP C[C@@H](C[N@@H+](C)CCn1cc[nH+]c1)c1ccccc1 ZINC000270916608 385760437 /nfs/dbraw/zinc/76/04/37/385760437.db2.gz UKKHMKJBGMADBX-AWEZNQCLSA-N 2 2 243.354 2.619 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H]1C[C@H]1C ZINC000488467762 385809045 /nfs/dbraw/zinc/80/90/45/385809045.db2.gz XGCJINPHQSUDAG-DGCLKSJQSA-N 2 2 243.354 2.590 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@@H]1C[C@H]1C ZINC000488467798 385810176 /nfs/dbraw/zinc/81/01/76/385810176.db2.gz XGCJINPHQSUDAG-YPMHNXCESA-N 2 2 243.354 2.590 20 0 BFADLP C[N@H+](Cc1cccc2[nH+]ccn21)CC(C)(C)C ZINC000271709297 385845372 /nfs/dbraw/zinc/84/53/72/385845372.db2.gz GIGWWQUONYZCTQ-UHFFFAOYSA-N 2 2 231.343 2.812 20 0 BFADLP C[N@@H+](Cc1cccc2[nH+]ccn21)CC(C)(C)C ZINC000271709297 385845376 /nfs/dbraw/zinc/84/53/76/385845376.db2.gz GIGWWQUONYZCTQ-UHFFFAOYSA-N 2 2 231.343 2.812 20 0 BFADLP C[C@@H](C[NH3+])[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000414945052 385797113 /nfs/dbraw/zinc/79/71/13/385797113.db2.gz PRZFZDQLQJQSKP-QMMMGPOBSA-N 2 2 238.718 2.523 20 0 BFADLP Fc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217644593 385888306 /nfs/dbraw/zinc/88/83/06/385888306.db2.gz QUYOHUSEXGDIIG-GJZGRUSLSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000217644593 385888310 /nfs/dbraw/zinc/88/83/10/385888310.db2.gz QUYOHUSEXGDIIG-GJZGRUSLSA-N 2 2 248.345 2.542 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1C ZINC000414964135 385902488 /nfs/dbraw/zinc/90/24/88/385902488.db2.gz YFNWVWWGLWSUQT-ZBFHGGJFSA-N 2 2 246.398 2.842 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC12CCCC2 ZINC000189105077 385927344 /nfs/dbraw/zinc/92/73/44/385927344.db2.gz TZCNZJONRRELSS-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC12CCCC2 ZINC000189105077 385927352 /nfs/dbraw/zinc/92/73/52/385927352.db2.gz TZCNZJONRRELSS-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337984453 385868128 /nfs/dbraw/zinc/86/81/28/385868128.db2.gz BYVSGYRKDDVOLG-LSDHHAIUSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337984453 385868131 /nfs/dbraw/zinc/86/81/31/385868131.db2.gz BYVSGYRKDDVOLG-LSDHHAIUSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284419559 385868877 /nfs/dbraw/zinc/86/88/77/385868877.db2.gz XUAWACXWUNITLV-LSDHHAIUSA-N 2 2 232.371 2.822 20 0 BFADLP CCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284419559 385868883 /nfs/dbraw/zinc/86/88/83/385868883.db2.gz XUAWACXWUNITLV-LSDHHAIUSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1c(C)oc2ccccc21 ZINC000414873428 385876052 /nfs/dbraw/zinc/87/60/52/385876052.db2.gz RDXPCLRBAQQRMD-UHFFFAOYSA-N 2 2 246.354 2.830 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@H]1CC1(C)C ZINC000414145003 385992294 /nfs/dbraw/zinc/99/22/94/385992294.db2.gz ULLXJPDEDGTMDK-XQQFMLRXSA-N 2 2 247.386 2.612 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000414065597 385942638 /nfs/dbraw/zinc/94/26/38/385942638.db2.gz GBPRDTCAXUBZLX-TUVASFSCSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1C ZINC000414070248 385944213 /nfs/dbraw/zinc/94/42/13/385944213.db2.gz JRIZAUGZYSTCEY-MGPQQGTHSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@H]1C ZINC000414082302 385952575 /nfs/dbraw/zinc/95/25/75/385952575.db2.gz FMSFGHGEQOCNHI-BHPKHCPMSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@H]1C ZINC000414082302 385952580 /nfs/dbraw/zinc/95/25/80/385952580.db2.gz FMSFGHGEQOCNHI-BHPKHCPMSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@H]1C ZINC000414082306 385953095 /nfs/dbraw/zinc/95/30/95/385953095.db2.gz FMSFGHGEQOCNHI-COMQUAJESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@H]1C ZINC000414082306 385953101 /nfs/dbraw/zinc/95/31/01/385953101.db2.gz FMSFGHGEQOCNHI-COMQUAJESA-N 2 2 236.403 2.637 20 0 BFADLP [NH3+]C[C@H]1CCCC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335055904 385956097 /nfs/dbraw/zinc/95/60/97/385956097.db2.gz RTXKQQGLHNCGEK-IUODEOHRSA-N 2 2 245.370 2.584 20 0 BFADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000335055904 385956101 /nfs/dbraw/zinc/95/61/01/385956101.db2.gz RTXKQQGLHNCGEK-IUODEOHRSA-N 2 2 245.370 2.584 20 0 BFADLP CC[N@H+](C[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000233528963 385965544 /nfs/dbraw/zinc/96/55/44/385965544.db2.gz GDCSQESLJIBQPA-KBPBESRZSA-N 2 2 232.371 2.901 20 0 BFADLP CC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000233528963 385965550 /nfs/dbraw/zinc/96/55/50/385965550.db2.gz GDCSQESLJIBQPA-KBPBESRZSA-N 2 2 232.371 2.901 20 0 BFADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414124257 385972794 /nfs/dbraw/zinc/97/27/94/385972794.db2.gz KMSBIBWRJMPBQF-GZBFAFLISA-N 2 2 249.402 2.767 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)[C@@H]1C[C@H]1C ZINC000414125788 385973953 /nfs/dbraw/zinc/97/39/53/385973953.db2.gz QLRALKBIEXQEQG-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)[C@@H]1C[C@H]1C ZINC000414125788 385973958 /nfs/dbraw/zinc/97/39/58/385973958.db2.gz QLRALKBIEXQEQG-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000345067646 386001960 /nfs/dbraw/zinc/00/19/60/386001960.db2.gz MWDOHSOFXLOABL-OSFYFWSMSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000345067646 386001961 /nfs/dbraw/zinc/00/19/61/386001961.db2.gz MWDOHSOFXLOABL-OSFYFWSMSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1C[C@H]1C ZINC000414115648 386008202 /nfs/dbraw/zinc/00/82/02/386008202.db2.gz PRKABRMVNLCETG-RDBSUJKOSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)C1CCCC1 ZINC000336751360 386008440 /nfs/dbraw/zinc/00/84/40/386008440.db2.gz VDLUIUNBPKHJCD-OBJOEFQTSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)C1CCCC1 ZINC000336751360 386008446 /nfs/dbraw/zinc/00/84/46/386008446.db2.gz VDLUIUNBPKHJCD-OBJOEFQTSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000221926561 386024854 /nfs/dbraw/zinc/02/48/54/386024854.db2.gz BFUXLKTXHSCHIW-CYBMUJFWSA-N 2 2 238.375 2.969 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000221926561 386024860 /nfs/dbraw/zinc/02/48/60/386024860.db2.gz BFUXLKTXHSCHIW-CYBMUJFWSA-N 2 2 238.375 2.969 20 0 BFADLP Cc1occc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000414309401 386113668 /nfs/dbraw/zinc/11/36/68/386113668.db2.gz UXRLBUFCVBXWMR-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000287031152 386092662 /nfs/dbraw/zinc/09/26/62/386092662.db2.gz LUWCCZPJMSFBLE-MJBXVCDLSA-N 2 2 234.387 2.718 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000414674316 386150191 /nfs/dbraw/zinc/15/01/91/386150191.db2.gz DOQLSOCZFPRKIG-DZGCQCFKSA-N 2 2 249.402 2.535 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000414674316 386150195 /nfs/dbraw/zinc/15/01/95/386150195.db2.gz DOQLSOCZFPRKIG-DZGCQCFKSA-N 2 2 249.402 2.535 20 0 BFADLP CC(C)[N@H+](CCn1cc[nH+]c1)C1CCCCC1 ZINC000346188748 386182387 /nfs/dbraw/zinc/18/23/87/386182387.db2.gz NDFZBPGMZLDAPK-UHFFFAOYSA-N 2 2 235.375 2.926 20 0 BFADLP CC(C)[N@@H+](CCn1cc[nH+]c1)C1CCCCC1 ZINC000346188748 386182391 /nfs/dbraw/zinc/18/23/91/386182391.db2.gz NDFZBPGMZLDAPK-UHFFFAOYSA-N 2 2 235.375 2.926 20 0 BFADLP Cc1cc[nH+]c(N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000130852772 386184893 /nfs/dbraw/zinc/18/48/93/386184893.db2.gz LFIPOMSDRFTWQO-ZDUSSCGKSA-N 2 2 233.359 2.710 20 0 BFADLP c1sc2ccccc2c1C[N@@H+]1CCC[NH2+]CC1 ZINC000054465510 386126453 /nfs/dbraw/zinc/12/64/53/386126453.db2.gz YKXOFAWFXXRWQJ-UHFFFAOYSA-N 2 2 246.379 2.697 20 0 BFADLP c1sc2ccccc2c1C[N@H+]1CCC[NH2+]CC1 ZINC000054465510 386126459 /nfs/dbraw/zinc/12/64/59/386126459.db2.gz YKXOFAWFXXRWQJ-UHFFFAOYSA-N 2 2 246.379 2.697 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccccc2)C1 ZINC000414333396 386127053 /nfs/dbraw/zinc/12/70/53/386127053.db2.gz FISAWHRNAQJVBR-DZKIICNBSA-N 2 2 246.398 2.862 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@H](C)c2ccccc2)C1 ZINC000414333396 386127061 /nfs/dbraw/zinc/12/70/61/386127061.db2.gz FISAWHRNAQJVBR-DZKIICNBSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000338776127 386130556 /nfs/dbraw/zinc/13/05/56/386130556.db2.gz ACNMZQRKXBUCPJ-UGQVUOCMSA-N 2 2 246.398 2.718 20 0 BFADLP Cc1occc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000414375122 386189263 /nfs/dbraw/zinc/18/92/63/386189263.db2.gz XUKQEWPTLHDLKJ-UHFFFAOYSA-N 2 2 248.370 2.648 20 0 BFADLP CS[C@H]1CCCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414703222 386211480 /nfs/dbraw/zinc/21/14/80/386211480.db2.gz IOABDAFMPAKRFE-LBPRGKRZSA-N 2 2 244.448 2.592 20 0 BFADLP CS[C@H]1CCCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414703222 386211483 /nfs/dbraw/zinc/21/14/83/386211483.db2.gz IOABDAFMPAKRFE-LBPRGKRZSA-N 2 2 244.448 2.592 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](C)[NH+](C)C)CCC2 ZINC000339067900 386233373 /nfs/dbraw/zinc/23/33/73/386233373.db2.gz HWFOIONLRPMJDJ-BBRMVZONSA-N 2 2 246.398 2.912 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000347119748 386235667 /nfs/dbraw/zinc/23/56/67/386235667.db2.gz DVLUAKKMTURQIH-GUTXKFCHSA-N 2 2 232.371 2.677 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000347119748 386235671 /nfs/dbraw/zinc/23/56/71/386235671.db2.gz DVLUAKKMTURQIH-GUTXKFCHSA-N 2 2 232.371 2.677 20 0 BFADLP Cc1cccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1C ZINC000347104093 386251982 /nfs/dbraw/zinc/25/19/82/386251982.db2.gz KZHBCKPLMYEVNR-MRXNPFEDSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1C ZINC000347104093 386251989 /nfs/dbraw/zinc/25/19/89/386251989.db2.gz KZHBCKPLMYEVNR-MRXNPFEDSA-N 2 2 244.382 2.630 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000414696945 386198455 /nfs/dbraw/zinc/19/84/55/386198455.db2.gz QTRWZXJSKRTGJS-UONOGXRCSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000414696945 386198458 /nfs/dbraw/zinc/19/84/58/386198458.db2.gz QTRWZXJSKRTGJS-UONOGXRCSA-N 2 2 224.392 2.624 20 0 BFADLP C[C@H](C[NH3+])[N@H+](C)Cc1cc2ccccc2s1 ZINC000347230733 386289049 /nfs/dbraw/zinc/28/90/49/386289049.db2.gz XSHKVGHWTIDUCG-SNVBAGLBSA-N 2 2 234.368 2.680 20 0 BFADLP C[C@H](C[NH3+])[N@@H+](C)Cc1cc2ccccc2s1 ZINC000347230733 386289057 /nfs/dbraw/zinc/28/90/57/386289057.db2.gz XSHKVGHWTIDUCG-SNVBAGLBSA-N 2 2 234.368 2.680 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347300060 386303496 /nfs/dbraw/zinc/30/34/96/386303496.db2.gz ZQXFJZXGXVUARP-BFHYXJOUSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000347300060 386303497 /nfs/dbraw/zinc/30/34/97/386303497.db2.gz ZQXFJZXGXVUARP-BFHYXJOUSA-N 2 2 224.392 2.591 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H](C)C1 ZINC000289209301 386273192 /nfs/dbraw/zinc/27/31/92/386273192.db2.gz WHVKLMPVNHEDDH-LBPRGKRZSA-N 2 2 218.344 2.664 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H](C)C1 ZINC000289209301 386273199 /nfs/dbraw/zinc/27/31/99/386273199.db2.gz WHVKLMPVNHEDDH-LBPRGKRZSA-N 2 2 218.344 2.664 20 0 BFADLP Cc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000289228829 386274560 /nfs/dbraw/zinc/27/45/60/386274560.db2.gz CWXZKGYEBLQPPX-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)o1 ZINC000289228829 386274566 /nfs/dbraw/zinc/27/45/66/386274566.db2.gz CWXZKGYEBLQPPX-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000289228829 386274570 /nfs/dbraw/zinc/27/45/70/386274570.db2.gz CWXZKGYEBLQPPX-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000289228829 386274572 /nfs/dbraw/zinc/27/45/72/386274572.db2.gz CWXZKGYEBLQPPX-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000276488171 386331898 /nfs/dbraw/zinc/33/18/98/386331898.db2.gz PQBVKNPFUVEYGF-HOTGVXAUSA-N 2 2 246.398 2.648 20 0 BFADLP CC[N@H+](C)CC[NH2+]CCc1ccc(C(C)C)cc1 ZINC000347337096 386334141 /nfs/dbraw/zinc/33/41/41/386334141.db2.gz LXGXNVGSAXKVQV-UHFFFAOYSA-N 2 2 248.414 2.894 20 0 BFADLP CC[N@@H+](C)CC[NH2+]CCc1ccc(C(C)C)cc1 ZINC000347337096 386334146 /nfs/dbraw/zinc/33/41/46/386334146.db2.gz LXGXNVGSAXKVQV-UHFFFAOYSA-N 2 2 248.414 2.894 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000215414856 386388128 /nfs/dbraw/zinc/38/81/28/386388128.db2.gz YQHQJALNVBQAKS-AWEZNQCLSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000215414856 386388131 /nfs/dbraw/zinc/38/81/31/386388131.db2.gz YQHQJALNVBQAKS-AWEZNQCLSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000215414807 386388290 /nfs/dbraw/zinc/38/82/90/386388290.db2.gz YQHQJALNVBQAKS-CQSZACIVSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000215414807 386388294 /nfs/dbraw/zinc/38/82/94/386388294.db2.gz YQHQJALNVBQAKS-CQSZACIVSA-N 2 2 244.382 2.630 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](CC1CC1)CC1CCC1 ZINC000414757356 386402507 /nfs/dbraw/zinc/40/25/07/386402507.db2.gz ATQLVHQWDCGCEF-OAHLLOKOSA-N 2 2 238.419 2.872 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](CC1CC1)CC1CCC1 ZINC000414757356 386402508 /nfs/dbraw/zinc/40/25/08/386402508.db2.gz ATQLVHQWDCGCEF-OAHLLOKOSA-N 2 2 238.419 2.872 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000442664824 386412755 /nfs/dbraw/zinc/41/27/55/386412755.db2.gz KTTQJWLDVLVTDV-SUNKGSAMSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C)C[C@H]1c1cccc(F)c1 ZINC000442664824 386412757 /nfs/dbraw/zinc/41/27/57/386412757.db2.gz KTTQJWLDVLVTDV-SUNKGSAMSA-N 2 2 236.334 2.556 20 0 BFADLP C(C[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1)C1CC1 ZINC000336707623 386413416 /nfs/dbraw/zinc/41/34/16/386413416.db2.gz PDYKALNSHJWFNZ-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C(C[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1)C1CC1 ZINC000336707623 386413423 /nfs/dbraw/zinc/41/34/23/386413423.db2.gz PDYKALNSHJWFNZ-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C[NH+](C)CCC[N@H+](C)Cc1ccc(Cl)s1 ZINC000299134027 386417331 /nfs/dbraw/zinc/41/73/31/386417331.db2.gz QYQKEWORVHCIAL-UHFFFAOYSA-N 2 2 246.807 2.785 20 0 BFADLP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000299134027 386417334 /nfs/dbraw/zinc/41/73/34/386417334.db2.gz QYQKEWORVHCIAL-UHFFFAOYSA-N 2 2 246.807 2.785 20 0 BFADLP C/C(Cl)=C\C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528392945 386420717 /nfs/dbraw/zinc/42/07/17/386420717.db2.gz FKISYZIKJOEPBW-WTDSWWLTSA-N 2 2 239.750 2.732 20 0 BFADLP FC(F)(F)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266806094 386469642 /nfs/dbraw/zinc/46/96/42/386469642.db2.gz ZWLYOTGQEYFDMP-UHFFFAOYSA-N 2 2 247.264 2.542 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000415014722 386500936 /nfs/dbraw/zinc/50/09/36/386500936.db2.gz XFEGWXJOCMRQMD-YUMQZZPRSA-N 2 2 247.169 2.819 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000353529978 386501519 /nfs/dbraw/zinc/50/15/19/386501519.db2.gz LAUGBXVXSIBBMT-HZSPNIEDSA-N 2 2 247.386 2.523 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000353529978 386501526 /nfs/dbraw/zinc/50/15/26/386501526.db2.gz LAUGBXVXSIBBMT-HZSPNIEDSA-N 2 2 247.386 2.523 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c(C)c1 ZINC000415032186 386518929 /nfs/dbraw/zinc/51/89/29/386518929.db2.gz FVPDUDUGVUQFHC-CQSZACIVSA-N 2 2 232.371 2.534 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000415034859 386522432 /nfs/dbraw/zinc/52/24/32/386522432.db2.gz IHGRQBUKOIORTI-GFCCVEGCSA-N 2 2 238.762 2.570 20 0 BFADLP CCCc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000415037906 386524244 /nfs/dbraw/zinc/52/42/44/386524244.db2.gz LMOQWCXEFGUKHP-HNNXBMFYSA-N 2 2 246.398 2.869 20 0 BFADLP c1ccc(NC2CC[NH+](C3CCC3)CC2)[nH+]c1 ZINC000278437401 386526965 /nfs/dbraw/zinc/52/69/65/386526965.db2.gz VRIGXJXUVBJJST-UHFFFAOYSA-N 2 2 231.343 2.510 20 0 BFADLP c1c[nH+]c(C2CC[NH+]([C@@H]3C=CCCC3)CC2)[nH]1 ZINC000266706982 386462531 /nfs/dbraw/zinc/46/25/31/386462531.db2.gz DSXTTXNVBMHLJN-CYBMUJFWSA-N 2 2 231.343 2.698 20 0 BFADLP CCC([NH3+])(CC)C[NH2+]Cc1c(F)cccc1F ZINC000414800320 386586132 /nfs/dbraw/zinc/58/61/32/386586132.db2.gz HORZGGLNWSIVQH-UHFFFAOYSA-N 2 2 242.313 2.572 20 0 BFADLP CCSCC[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000336755311 386534129 /nfs/dbraw/zinc/53/41/29/386534129.db2.gz GJGQDIJFMXLKPC-QWHCGFSZSA-N 2 2 244.448 2.592 20 0 BFADLP CCSCC[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000336755311 386534136 /nfs/dbraw/zinc/53/41/36/386534136.db2.gz GJGQDIJFMXLKPC-QWHCGFSZSA-N 2 2 244.448 2.592 20 0 BFADLP CCSCC[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000336755312 386535102 /nfs/dbraw/zinc/53/51/02/386535102.db2.gz GJGQDIJFMXLKPC-STQMWFEESA-N 2 2 244.448 2.592 20 0 BFADLP CCSCC[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000336755312 386535110 /nfs/dbraw/zinc/53/51/10/386535110.db2.gz GJGQDIJFMXLKPC-STQMWFEESA-N 2 2 244.448 2.592 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1F ZINC000414790787 386546757 /nfs/dbraw/zinc/54/67/57/386546757.db2.gz GWIDSTSNGVHNIE-LLVKDONJSA-N 2 2 244.741 2.552 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C[C@H](C)CC ZINC000415067027 386547991 /nfs/dbraw/zinc/54/79/91/386547991.db2.gz OTONGPRTDBDJJO-DOMZBBRYSA-N 2 2 234.387 2.885 20 0 BFADLP Clc1ccccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415071186 386557734 /nfs/dbraw/zinc/55/77/34/386557734.db2.gz SIOVVFVDRZILIS-GFCCVEGCSA-N 2 2 238.762 2.572 20 0 BFADLP CCC[C@@H]([NH2+]CC1([NH+](C)C)CC1)C(C)(C)C ZINC000417361011 386560989 /nfs/dbraw/zinc/56/09/89/386560989.db2.gz YCLCYYYRSCZHRV-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP Fc1ccc(/C=C\C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415073888 386570803 /nfs/dbraw/zinc/57/08/03/386570803.db2.gz ZCMZFRRRWPIMSE-JZIMQPMSSA-N 2 2 248.345 2.571 20 0 BFADLP C[N@H+](CC[NH3+])Cc1ccc(-c2ccccc2)s1 ZINC000415112970 386620849 /nfs/dbraw/zinc/62/08/49/386620849.db2.gz TYFXPGMBBASCGI-UHFFFAOYSA-N 2 2 246.379 2.806 20 0 BFADLP C[N@@H+](CC[NH3+])Cc1ccc(-c2ccccc2)s1 ZINC000415112970 386620855 /nfs/dbraw/zinc/62/08/55/386620855.db2.gz TYFXPGMBBASCGI-UHFFFAOYSA-N 2 2 246.379 2.806 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000335497926 386623681 /nfs/dbraw/zinc/62/36/81/386623681.db2.gz APOZDUMAQPJNHL-ZYHUDNBSSA-N 2 2 224.373 2.541 20 0 BFADLP Cc1cc[nH+]c(NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000268299103 386640629 /nfs/dbraw/zinc/64/06/29/386640629.db2.gz GKRTUJSSUQXHMT-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1cc[nH+]c(NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000268299103 386640636 /nfs/dbraw/zinc/64/06/36/386640636.db2.gz GKRTUJSSUQXHMT-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000414812258 386640804 /nfs/dbraw/zinc/64/08/04/386640804.db2.gz KPEFLADIAHGRFK-LBPRGKRZSA-N 2 2 242.313 2.572 20 0 BFADLP C[C@@H](c1ccccc1F)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335489980 386607743 /nfs/dbraw/zinc/60/77/43/386607743.db2.gz ZHOHBVKAZIGTPH-LBPRGKRZSA-N 2 2 248.345 2.715 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000042222631 386673743 /nfs/dbraw/zinc/67/37/43/386673743.db2.gz HXYXXARPOFUGEM-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1ccsc1 ZINC000232982808 386679855 /nfs/dbraw/zinc/67/98/55/386679855.db2.gz JSJQOUFKEFUPTD-LBPRGKRZSA-N 2 2 238.400 2.616 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414826655 386686729 /nfs/dbraw/zinc/68/67/29/386686729.db2.gz FYTOVXJKYXNHBW-TZMCWYRMSA-N 2 2 220.360 2.712 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000268838756 386705716 /nfs/dbraw/zinc/70/57/16/386705716.db2.gz TXUKERWDEXAJDY-UONOGXRCSA-N 2 2 235.375 2.996 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C(C)(C)c1ccccc1)[NH+](C)C ZINC000268896542 386717900 /nfs/dbraw/zinc/71/79/00/386717900.db2.gz LMPNHABIDBGTPX-ZIAGYGMSSA-N 2 2 248.414 2.892 20 0 BFADLP CC(C)CCC[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414835855 386728744 /nfs/dbraw/zinc/72/87/44/386728744.db2.gz RZAWRXKFFWLYOR-CQSZACIVSA-N 2 2 220.360 2.712 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC3(C)C)n2c1 ZINC000269362392 386781952 /nfs/dbraw/zinc/78/19/52/386781952.db2.gz PKEOJXMDBKBJSX-GFCCVEGCSA-N 2 2 229.327 2.531 20 0 BFADLP C[NH+](C)C1(C[NH2+]C2CCCCCC2)CCC1 ZINC000165158367 386836934 /nfs/dbraw/zinc/83/69/34/386836934.db2.gz HMLXMAIHCKWADH-UHFFFAOYSA-N 2 2 224.392 2.783 20 0 BFADLP CCCC[N@H+](C)C[C@H](C)Nc1cccc(C)[nH+]1 ZINC000341117437 386840452 /nfs/dbraw/zinc/84/04/52/386840452.db2.gz ACYAFOBQUWYMBB-ZDUSSCGKSA-N 2 2 235.375 2.922 20 0 BFADLP CCCC[N@@H+](C)C[C@H](C)Nc1cccc(C)[nH+]1 ZINC000341117437 386840458 /nfs/dbraw/zinc/84/04/58/386840458.db2.gz ACYAFOBQUWYMBB-ZDUSSCGKSA-N 2 2 235.375 2.922 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000336744717 386876903 /nfs/dbraw/zinc/87/69/03/386876903.db2.gz VCQMMKMCMLHMJK-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000336744717 386876909 /nfs/dbraw/zinc/87/69/09/386876909.db2.gz VCQMMKMCMLHMJK-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC1CCC([NH2+][C@H]2C[N@H+](CC)C[C@@H]2C)CC1 ZINC000340438520 386877517 /nfs/dbraw/zinc/87/75/17/386877517.db2.gz WOXBJEBGYVOSME-PPWQZUPISA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CCC([NH2+][C@H]2C[N@@H+](CC)C[C@@H]2C)CC1 ZINC000340438520 386877523 /nfs/dbraw/zinc/87/75/23/386877523.db2.gz WOXBJEBGYVOSME-PPWQZUPISA-N 2 2 238.419 2.885 20 0 BFADLP c1cn(CC[N@@H+]2CCCC3(CCCC3)C2)c[nH+]1 ZINC000334857541 386909709 /nfs/dbraw/zinc/90/97/09/386909709.db2.gz AHYQHPRPFZSGLR-UHFFFAOYSA-N 2 2 233.359 2.539 20 0 BFADLP c1cn(CC[N@H+]2CCCC3(CCCC3)C2)c[nH+]1 ZINC000334857541 386909713 /nfs/dbraw/zinc/90/97/13/386909713.db2.gz AHYQHPRPFZSGLR-UHFFFAOYSA-N 2 2 233.359 2.539 20 0 BFADLP Cc1ccc(CCNc2cc[nH+]c(C)c2)c[nH+]1 ZINC000302303585 386919959 /nfs/dbraw/zinc/91/99/59/386919959.db2.gz NOLBWTAQRWKJOU-UHFFFAOYSA-N 2 2 227.311 2.748 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336712771 386955144 /nfs/dbraw/zinc/95/51/44/386955144.db2.gz OVWDFGAHYCIOGA-TZMCWYRMSA-N 2 2 234.343 2.581 20 0 BFADLP CC[C@@H](C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000336712771 386955149 /nfs/dbraw/zinc/95/51/49/386955149.db2.gz OVWDFGAHYCIOGA-TZMCWYRMSA-N 2 2 234.343 2.581 20 0 BFADLP C/C=C/C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000232467760 386964394 /nfs/dbraw/zinc/96/43/94/386964394.db2.gz DASCSQPCQACJRQ-WOMSROEHSA-N 2 2 244.382 2.817 20 0 BFADLP C/C=C/C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000232467760 386964398 /nfs/dbraw/zinc/96/43/98/386964398.db2.gz DASCSQPCQACJRQ-WOMSROEHSA-N 2 2 244.382 2.817 20 0 BFADLP C[NH+](C)C1(C[NH2+]C/C=C\c2ccc(F)cc2)CC1 ZINC000418110254 386984747 /nfs/dbraw/zinc/98/47/47/386984747.db2.gz BJKRBGPHUFEUPJ-ARJAWSKDSA-N 2 2 248.345 2.523 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000358386480 386948218 /nfs/dbraw/zinc/94/82/18/386948218.db2.gz AOFWTXSOCARFCA-SNPRPXQTSA-N 2 2 232.371 2.677 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000358386480 386948224 /nfs/dbraw/zinc/94/82/24/386948224.db2.gz AOFWTXSOCARFCA-SNPRPXQTSA-N 2 2 232.371 2.677 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228028742 387059643 /nfs/dbraw/zinc/05/96/43/387059643.db2.gz GIVUUGVMTDBFHG-MELADBBJSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228028742 387059646 /nfs/dbraw/zinc/05/96/46/387059646.db2.gz GIVUUGVMTDBFHG-MELADBBJSA-N 2 2 224.392 2.624 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](Cc2cc(C)sc2C)C1 ZINC000053201902 387020536 /nfs/dbraw/zinc/02/05/36/387020536.db2.gz AJHKJQOMVGXIBY-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cc(C)sc2C)C1 ZINC000053201902 387020539 /nfs/dbraw/zinc/02/05/39/387020539.db2.gz AJHKJQOMVGXIBY-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+]CC[NH+]1CCCC1 ZINC000020126995 387074421 /nfs/dbraw/zinc/07/44/21/387074421.db2.gz WHJXXLDUXSORPA-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309573 387101523 /nfs/dbraw/zinc/10/15/23/387101523.db2.gz AMDBFXJUWXSLGW-OAHLLOKOSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309573 387101526 /nfs/dbraw/zinc/10/15/26/387101526.db2.gz AMDBFXJUWXSLGW-OAHLLOKOSA-N 2 2 232.371 2.604 20 0 BFADLP C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000071309420 387102560 /nfs/dbraw/zinc/10/25/60/387102560.db2.gz SUCJNMKXYREHED-HNNXBMFYSA-N 2 2 246.398 2.778 20 0 BFADLP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000071309420 387102564 /nfs/dbraw/zinc/10/25/64/387102564.db2.gz SUCJNMKXYREHED-HNNXBMFYSA-N 2 2 246.398 2.778 20 0 BFADLP CCCC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CCC1 ZINC000193386811 387109507 /nfs/dbraw/zinc/10/95/07/387109507.db2.gz QZXWWGRFOWNMKQ-CYBMUJFWSA-N 2 2 221.348 2.858 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000336319221 387143867 /nfs/dbraw/zinc/14/38/67/387143867.db2.gz XYPDOFNSSPWBST-GXTWGEPZSA-N 2 2 247.386 2.756 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2c1cccc2C ZINC000423308778 387144486 /nfs/dbraw/zinc/14/44/86/387144486.db2.gz JZDGGAARAPXDTG-OAHLLOKOSA-N 2 2 232.371 2.572 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000423309952 387145100 /nfs/dbraw/zinc/14/51/00/387145100.db2.gz MRVFLXJFKNNWLY-ZDUSSCGKSA-N 2 2 246.398 2.826 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000423311782 387148560 /nfs/dbraw/zinc/14/85/60/387148560.db2.gz QOVVXOOYRAQOLH-SWLSCSKDSA-N 2 2 232.371 2.509 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000423311775 387149157 /nfs/dbraw/zinc/14/91/57/387149157.db2.gz QNBHTDIISHPBDV-CQSZACIVSA-N 2 2 234.387 2.954 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423311365 387149741 /nfs/dbraw/zinc/14/97/41/387149741.db2.gz PQVKCHGZPVUTDK-HEHGZKQESA-N 2 2 244.382 2.967 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000229299361 387151367 /nfs/dbraw/zinc/15/13/67/387151367.db2.gz LVEGSBFYOPVBHG-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000229299361 387151370 /nfs/dbraw/zinc/15/13/70/387151370.db2.gz LVEGSBFYOPVBHG-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(CC)s1 ZINC000423314964 387154498 /nfs/dbraw/zinc/15/44/98/387154498.db2.gz WYFGXRPJWGIANN-LLVKDONJSA-N 2 2 240.416 2.961 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC23CCCC3)CCC[N@@H+]1C ZINC000353247563 387164179 /nfs/dbraw/zinc/16/41/79/387164179.db2.gz IIXHFRKIFAJASK-MGPQQGTHSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CCC23CCCC3)CCC[N@H+]1C ZINC000353247563 387164184 /nfs/dbraw/zinc/16/41/84/387164184.db2.gz IIXHFRKIFAJASK-MGPQQGTHSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423329430 387172333 /nfs/dbraw/zinc/17/23/33/387172333.db2.gz SUAXVWHSXLORLX-MFKMUULPSA-N 2 2 244.338 2.821 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000423328988 387173907 /nfs/dbraw/zinc/17/39/07/387173907.db2.gz OIAAFIHVVIPFFE-HTQZYQBOSA-N 2 2 247.169 2.991 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1csc(Cl)c1 ZINC000423330666 387175206 /nfs/dbraw/zinc/17/52/06/387175206.db2.gz PPHGWVUDHJUCBR-MRVPVSSYSA-N 2 2 244.791 2.934 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+]([C@@H]3C=CCCC3)C2)[nH]1 ZINC000336350204 387179264 /nfs/dbraw/zinc/17/92/64/387179264.db2.gz AMVCFTJBPKDZFO-QWHCGFSZSA-N 2 2 231.343 2.698 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+]([C@@H]3C=CCCC3)C2)[nH]1 ZINC000336350204 387179265 /nfs/dbraw/zinc/17/92/65/387179265.db2.gz AMVCFTJBPKDZFO-QWHCGFSZSA-N 2 2 231.343 2.698 20 0 BFADLP Cc1ccc(CCC[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c[nH+]1 ZINC000353660214 387252494 /nfs/dbraw/zinc/25/24/94/387252494.db2.gz MIRLSUAVEPAMGH-GASCZTMLSA-N 2 2 244.382 2.910 20 0 BFADLP Cc1ccc(CCC[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c[nH+]1 ZINC000353660214 387252497 /nfs/dbraw/zinc/25/24/97/387252497.db2.gz MIRLSUAVEPAMGH-GASCZTMLSA-N 2 2 244.382 2.910 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423357592 387208264 /nfs/dbraw/zinc/20/82/64/387208264.db2.gz INUHHMGHEFUKKI-VHDGCEQUSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423357156 387208738 /nfs/dbraw/zinc/20/87/38/387208738.db2.gz LRAYEBKBQQAXIN-ZOWXZIJZSA-N 2 2 230.355 2.577 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)s1 ZINC000423358676 387210396 /nfs/dbraw/zinc/21/03/96/387210396.db2.gz JRKWHLFWZIIEMJ-USWWRNFRSA-N 2 2 238.400 2.705 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000423367365 387218764 /nfs/dbraw/zinc/21/87/64/387218764.db2.gz AGSIISGVWZTRKZ-MNOVXSKESA-N 2 2 240.778 2.989 20 0 BFADLP CC(C)CC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccoc1 ZINC000423368595 387222125 /nfs/dbraw/zinc/22/21/25/387222125.db2.gz NJPHDEQLFJNJJD-AAEUAGOBSA-N 2 2 224.348 2.694 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(Cl)ccc1Cl ZINC000423369333 387224365 /nfs/dbraw/zinc/22/43/65/387224365.db2.gz OIAAFIHVVIPFFE-JGVFFNPUSA-N 2 2 247.169 2.991 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423372467 387227223 /nfs/dbraw/zinc/22/72/23/387227223.db2.gz VRPOQPCCVZFJSA-WWGRRREGSA-N 2 2 246.398 2.898 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000423373010 387227993 /nfs/dbraw/zinc/22/79/93/387227993.db2.gz GREWSKAYEUFPNU-ZENOOKHLSA-N 2 2 246.398 2.816 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000120819429 387196482 /nfs/dbraw/zinc/19/64/82/387196482.db2.gz UHQLFLZHBOIUJX-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000120819429 387196486 /nfs/dbraw/zinc/19/64/86/387196486.db2.gz UHQLFLZHBOIUJX-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000120819759 387196644 /nfs/dbraw/zinc/19/66/44/387196644.db2.gz UHQLFLZHBOIUJX-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000120819759 387196651 /nfs/dbraw/zinc/19/66/51/387196651.db2.gz UHQLFLZHBOIUJX-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccccc2)n1C ZINC000572304450 387312555 /nfs/dbraw/zinc/31/25/55/387312555.db2.gz QPAGTXCVWQHKND-NSHDSACASA-N 2 2 229.327 2.579 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC000423385369 387269421 /nfs/dbraw/zinc/26/94/21/387269421.db2.gz QVVCUQWUACIWHV-ZIAGYGMSSA-N 2 2 234.387 2.952 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000423392052 387276264 /nfs/dbraw/zinc/27/62/64/387276264.db2.gz XHUNCEKZJJSLKZ-KGLIPLIRSA-N 2 2 234.387 2.952 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)[C@H]1C[C@H]1C ZINC000423437957 387288056 /nfs/dbraw/zinc/28/80/56/387288056.db2.gz USAMYEVOFSXOOL-GUYJKWIASA-N 2 2 244.382 2.508 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1(C)CC1 ZINC000423442582 387292358 /nfs/dbraw/zinc/29/23/58/387292358.db2.gz WUNLMTGZAOEIAJ-SWLSCSKDSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423452761 387299035 /nfs/dbraw/zinc/29/90/35/387299035.db2.gz WWDBOCUTYFPCAT-HLTSFMKQSA-N 2 2 244.741 2.865 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1cc(F)ccc1F ZINC000423461010 387308106 /nfs/dbraw/zinc/30/81/06/387308106.db2.gz JEFOWYNRRKVRBK-ZWNOBZJWSA-N 2 2 242.313 2.743 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423554121 387373095 /nfs/dbraw/zinc/37/30/95/387373095.db2.gz KZGJYGVKZHMJNY-ZFWWWQNUSA-N 2 2 232.371 2.788 20 0 BFADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423555184 387375979 /nfs/dbraw/zinc/37/59/79/387375979.db2.gz LWNUWGVQAXKIPU-ZFWWWQNUSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000423486558 387332034 /nfs/dbraw/zinc/33/20/34/387332034.db2.gz ZOEBDGZIIFWZRL-JSGCOSHPSA-N 2 2 236.359 2.756 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000423497077 387340055 /nfs/dbraw/zinc/34/00/55/387340055.db2.gz FYVZICUMDUEUIK-CZPYZCIJSA-N 2 2 246.398 2.883 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000423497878 387340804 /nfs/dbraw/zinc/34/08/04/387340804.db2.gz HNNPNVUCQGOEJW-CZPYZCIJSA-N 2 2 246.398 2.883 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000423497080 387340973 /nfs/dbraw/zinc/34/09/73/387340973.db2.gz FYVZICUMDUEUIK-YXAMBPQSSA-N 2 2 246.398 2.883 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000643501869 387353827 /nfs/dbraw/zinc/35/38/27/387353827.db2.gz RHDGYZBHSWCOKC-UONOGXRCSA-N 2 2 247.386 2.655 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)CC2 ZINC000643468944 387424755 /nfs/dbraw/zinc/42/47/55/387424755.db2.gz PUKYBPVTPJONCA-APHBMKBZSA-N 2 2 244.382 2.712 20 0 BFADLP CC(C)Cc1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000084566471 387456086 /nfs/dbraw/zinc/45/60/86/387456086.db2.gz ULCZHTBNZRMSQO-INIZCTEOSA-N 2 2 246.398 2.727 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506892 387460064 /nfs/dbraw/zinc/46/00/64/387460064.db2.gz LRDSBSRBWZRCHQ-IUODEOHRSA-N 2 2 244.382 2.885 20 0 BFADLP Cc1ccc2c(c1)C[N@@H+](CCCn1cc[nH+]c1)C2 ZINC000361594768 387508720 /nfs/dbraw/zinc/50/87/20/387508720.db2.gz QCGWNZZDUKSZEI-UHFFFAOYSA-N 2 2 241.338 2.597 20 0 BFADLP Cc1ccc2c(c1)C[N@H+](CCCn1cc[nH+]c1)C2 ZINC000361594768 387508724 /nfs/dbraw/zinc/50/87/24/387508724.db2.gz QCGWNZZDUKSZEI-UHFFFAOYSA-N 2 2 241.338 2.597 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+]CCC1CCCCC1)CC2 ZINC000361610434 387509902 /nfs/dbraw/zinc/50/99/02/387509902.db2.gz MVLPCIPLMGVQGF-CQSZACIVSA-N 2 2 247.386 2.758 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C)C1CC1 ZINC000300418965 387520602 /nfs/dbraw/zinc/52/06/02/387520602.db2.gz JPLUZJBQXBYOFV-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C)C1CC1 ZINC000300418965 387520604 /nfs/dbraw/zinc/52/06/04/387520604.db2.gz JPLUZJBQXBYOFV-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP FCCCCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000375359356 387531691 /nfs/dbraw/zinc/53/16/91/387531691.db2.gz CUDWYOJZOCGTLR-LBPRGKRZSA-N 2 2 239.338 2.729 20 0 BFADLP FCCCCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000375359356 387531694 /nfs/dbraw/zinc/53/16/94/387531694.db2.gz CUDWYOJZOCGTLR-LBPRGKRZSA-N 2 2 239.338 2.729 20 0 BFADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cc2ccccc2o1 ZINC000643505925 387463629 /nfs/dbraw/zinc/46/36/29/387463629.db2.gz DRHHCPITVXIJSB-LLVKDONJSA-N 2 2 244.338 2.835 20 0 BFADLP CC[C@@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361496894 387472284 /nfs/dbraw/zinc/47/22/84/387472284.db2.gz NFYZZRAHKVPWLU-GFCCVEGCSA-N 2 2 229.327 2.760 20 0 BFADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643507159 387474706 /nfs/dbraw/zinc/47/47/06/387474706.db2.gz UTNBZTCPNWGNGF-HNNXBMFYSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CCC2)o1 ZINC000643507682 387479539 /nfs/dbraw/zinc/47/95/39/387479539.db2.gz MMYMBJQFYKCUQU-HNNXBMFYSA-N 2 2 248.370 2.771 20 0 BFADLP CC(C)(C)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000361547428 387484696 /nfs/dbraw/zinc/48/46/96/387484696.db2.gz FRGVWMKYNKFKJJ-ZDUSSCGKSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)(C)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000361547428 387484702 /nfs/dbraw/zinc/48/47/02/387484702.db2.gz FRGVWMKYNKFKJJ-ZDUSSCGKSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000336722122 387582950 /nfs/dbraw/zinc/58/29/50/387582950.db2.gz XYIPIXNVLHLOLX-UHFFFAOYSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000336722122 387582956 /nfs/dbraw/zinc/58/29/56/387582956.db2.gz XYIPIXNVLHLOLX-UHFFFAOYSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000362231931 387586806 /nfs/dbraw/zinc/58/68/06/387586806.db2.gz AGLYGZOGAWNUKY-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000362231931 387586812 /nfs/dbraw/zinc/58/68/12/387586812.db2.gz AGLYGZOGAWNUKY-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@H](C)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362231931 387586815 /nfs/dbraw/zinc/58/68/15/387586815.db2.gz AGLYGZOGAWNUKY-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@H](C)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000362231931 387586817 /nfs/dbraw/zinc/58/68/17/387586817.db2.gz AGLYGZOGAWNUKY-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCCc2cccnc21 ZINC000643514555 387598744 /nfs/dbraw/zinc/59/87/44/387598744.db2.gz QTBPUAPUPXGQNU-KBPBESRZSA-N 2 2 247.386 2.566 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000355682959 387567179 /nfs/dbraw/zinc/56/71/79/387567179.db2.gz RGQKDJBJZDLAGX-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000355682959 387567182 /nfs/dbraw/zinc/56/71/82/387567182.db2.gz RGQKDJBJZDLAGX-LSDHHAIUSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000149331543 387652332 /nfs/dbraw/zinc/65/23/32/387652332.db2.gz LXMQOJKTINRSSG-QWHCGFSZSA-N 2 2 235.375 2.688 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000422788481 387653176 /nfs/dbraw/zinc/65/31/76/387653176.db2.gz VLNNVIZGCHOIAH-LRDDRELGSA-N 2 2 246.398 2.699 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527688635 387658909 /nfs/dbraw/zinc/65/89/09/387658909.db2.gz WJCKRORISIAQIP-RCBQFDQVSA-N 2 2 244.382 2.957 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2c1cccc2F)[C@H]1CCC[NH2+]1 ZINC000422765393 387666246 /nfs/dbraw/zinc/66/62/46/387666246.db2.gz PDMWVSDLWSNISO-VQISRLSMSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@H](C[NH2+]C1CCC2(CC2)CC1)Cn1cc[nH+]c1 ZINC000362918481 387671652 /nfs/dbraw/zinc/67/16/52/387671652.db2.gz NNDZCLFDFUFWDW-CYBMUJFWSA-N 2 2 247.386 2.832 20 0 BFADLP C[C@@H](C[NH2+]C1CCC2(CC2)CC1)[N@H+](C)C1CC1 ZINC000362924001 387673218 /nfs/dbraw/zinc/67/32/18/387673218.db2.gz MUJWQLQYYGVOIE-LBPRGKRZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[NH2+]C1CCC2(CC2)CC1)[N@@H+](C)C1CC1 ZINC000362924001 387673227 /nfs/dbraw/zinc/67/32/27/387673227.db2.gz MUJWQLQYYGVOIE-LBPRGKRZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044684111 387689342 /nfs/dbraw/zinc/68/93/42/387689342.db2.gz FAYBUDBDHAFBEP-GXTWGEPZSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044684111 387689349 /nfs/dbraw/zinc/68/93/49/387689349.db2.gz FAYBUDBDHAFBEP-GXTWGEPZSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC000527751696 387693438 /nfs/dbraw/zinc/69/34/38/387693438.db2.gz KMYOOVFHWKWHMZ-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC000527751696 387693441 /nfs/dbraw/zinc/69/34/41/387693441.db2.gz KMYOOVFHWKWHMZ-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP C1=CC[C@@H](C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527804890 387728985 /nfs/dbraw/zinc/72/89/85/387728985.db2.gz CDNPSEQDUXGICR-ZBFHGGJFSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@@H](C[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527804890 387728992 /nfs/dbraw/zinc/72/89/92/387728992.db2.gz CDNPSEQDUXGICR-ZBFHGGJFSA-N 2 2 248.414 2.949 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527862989 387737055 /nfs/dbraw/zinc/73/70/55/387737055.db2.gz POEUJSXRFFDTDW-BFHYXJOUSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527862989 387737061 /nfs/dbraw/zinc/73/70/61/387737061.db2.gz POEUJSXRFFDTDW-BFHYXJOUSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527862991 387738685 /nfs/dbraw/zinc/73/86/85/387738685.db2.gz POEUJSXRFFDTDW-MCIONIFRSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527862991 387738691 /nfs/dbraw/zinc/73/86/91/387738691.db2.gz POEUJSXRFFDTDW-MCIONIFRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH3+])C[NH2+]C1c2ccccc2-c2ccccc21 ZINC000643527429 387765655 /nfs/dbraw/zinc/76/56/55/387765655.db2.gz MUXNHMZSWXERHS-LLVKDONJSA-N 2 2 238.334 2.693 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527876928 387767527 /nfs/dbraw/zinc/76/75/27/387767527.db2.gz WALQXPQCDJGZDN-TZMCWYRMSA-N 2 2 230.355 2.711 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000643528978 387771611 /nfs/dbraw/zinc/77/16/11/387771611.db2.gz SCEFYYWIIRUDLE-WEDXCCLWSA-N 2 2 242.413 2.610 20 0 BFADLP C[C@H]([NH3+])C[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000643528976 387772629 /nfs/dbraw/zinc/77/26/29/387772629.db2.gz SCEFYYWIIRUDLE-NRPADANISA-N 2 2 242.413 2.610 20 0 BFADLP C[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000643528977 387772956 /nfs/dbraw/zinc/77/29/56/387772956.db2.gz SCEFYYWIIRUDLE-OYNCUSHFSA-N 2 2 242.413 2.610 20 0 BFADLP CSc1ccc([C@H](C)[NH2+]C[C@@H](C)[NH3+])cc1F ZINC000643528811 387773482 /nfs/dbraw/zinc/77/34/82/387773482.db2.gz PETBILZUPNBKTR-BDAKNGLRSA-N 2 2 242.363 2.545 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccoc1 ZINC000643530124 387785425 /nfs/dbraw/zinc/78/54/25/387785425.db2.gz NZOFDYMVGVVSEM-AAEUAGOBSA-N 2 2 236.359 2.708 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000151035272 387796211 /nfs/dbraw/zinc/79/62/11/387796211.db2.gz BGZDKPNMNMKUAG-CQSZACIVSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1(C)CC1 ZINC000151035272 387796214 /nfs/dbraw/zinc/79/62/14/387796214.db2.gz BGZDKPNMNMKUAG-CQSZACIVSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000423000972 387804952 /nfs/dbraw/zinc/80/49/52/387804952.db2.gz HFHKDZOVMRVGRF-XUJVJEKNSA-N 2 2 230.355 2.577 20 0 BFADLP C([NH2+][C@@H]1CCCC12CC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528003055 387807398 /nfs/dbraw/zinc/80/73/98/387807398.db2.gz RLQSNYFVIVDLFQ-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@@H]1CCCC12CC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528003055 387807403 /nfs/dbraw/zinc/80/74/03/387807403.db2.gz RLQSNYFVIVDLFQ-HUUCEWRRSA-N 2 2 248.414 2.926 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000564045719 387807718 /nfs/dbraw/zinc/80/77/18/387807718.db2.gz FSIJMVYIBNQVAW-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C(C)(C)CC)C1 ZINC000564045719 387807723 /nfs/dbraw/zinc/80/77/23/387807723.db2.gz FSIJMVYIBNQVAW-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1CC[N@H+](CC2=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000645837213 387759593 /nfs/dbraw/zinc/75/95/93/387759593.db2.gz LFQRHARHMNKCHX-ZFWWWQNUSA-N 2 2 245.370 2.876 20 0 BFADLP C[C@H]1CC[N@@H+](CC2=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000645837213 387759599 /nfs/dbraw/zinc/75/95/99/387759599.db2.gz LFQRHARHMNKCHX-ZFWWWQNUSA-N 2 2 245.370 2.876 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528006801 387820658 /nfs/dbraw/zinc/82/06/58/387820658.db2.gz ABDIINVSBXNQNW-JSGCOSHPSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528006801 387820660 /nfs/dbraw/zinc/82/06/60/387820660.db2.gz ABDIINVSBXNQNW-JSGCOSHPSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528010244 387823136 /nfs/dbraw/zinc/82/31/36/387823136.db2.gz JLBYOESRFPKBFQ-GXTWGEPZSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528010244 387823142 /nfs/dbraw/zinc/82/31/42/387823142.db2.gz JLBYOESRFPKBFQ-GXTWGEPZSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000528012169 387823454 /nfs/dbraw/zinc/82/34/54/387823454.db2.gz OLVQQQIVZMPZLA-HUUCEWRRSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000528012169 387823457 /nfs/dbraw/zinc/82/34/57/387823457.db2.gz OLVQQQIVZMPZLA-HUUCEWRRSA-N 2 2 236.403 2.782 20 0 BFADLP CCC(CC)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528014449 387823570 /nfs/dbraw/zinc/82/35/70/387823570.db2.gz VVWBZNWGCXVBDU-CQSZACIVSA-N 2 2 224.392 2.782 20 0 BFADLP CCC(CC)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528014449 387823574 /nfs/dbraw/zinc/82/35/74/387823574.db2.gz VVWBZNWGCXVBDU-CQSZACIVSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528011513 387823796 /nfs/dbraw/zinc/82/37/96/387823796.db2.gz LXNYDOMPJORMEK-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528011513 387823800 /nfs/dbraw/zinc/82/38/00/387823800.db2.gz LXNYDOMPJORMEK-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422974720 387824732 /nfs/dbraw/zinc/82/47/32/387824732.db2.gz ABQMDNSFJQTHBO-FZMZJTMJSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1cccc(NCc2c[nH+]cn2C(C)C)[nH+]1 ZINC000424158566 387836523 /nfs/dbraw/zinc/83/65/23/387836523.db2.gz RHEFFUAYELTBBY-UHFFFAOYSA-N 2 2 230.315 2.780 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442781278 387839417 /nfs/dbraw/zinc/83/94/17/387839417.db2.gz OYEYPZCCVLLMRY-UHFFFAOYSA-N 2 2 248.361 2.740 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C1CCC(C(F)F)CC1 ZINC000442781278 387839422 /nfs/dbraw/zinc/83/94/22/387839422.db2.gz OYEYPZCCVLLMRY-UHFFFAOYSA-N 2 2 248.361 2.740 20 0 BFADLP CC1(C)CC([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000433097472 387864597 /nfs/dbraw/zinc/86/45/97/387864597.db2.gz MZEWSOVCOZPJNA-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP CC1(C)CC([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000433097472 387864603 /nfs/dbraw/zinc/86/46/03/387864603.db2.gz MZEWSOVCOZPJNA-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000442666447 387818617 /nfs/dbraw/zinc/81/86/17/387818617.db2.gz RBDFIVGYNJBVKW-MJVIPROJSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1C[C@@H](C)C[C@H]1c1ccccc1F ZINC000442666447 387818621 /nfs/dbraw/zinc/81/86/21/387818621.db2.gz RBDFIVGYNJBVKW-MJVIPROJSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000151671978 387875326 /nfs/dbraw/zinc/87/53/26/387875326.db2.gz LYKOZFYPXYHJJA-GDBMZVCRSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000151671978 387875330 /nfs/dbraw/zinc/87/53/30/387875330.db2.gz LYKOZFYPXYHJJA-GDBMZVCRSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000444000931 387879003 /nfs/dbraw/zinc/87/90/03/387879003.db2.gz AKNXABZJNXMOIX-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000444000931 387879005 /nfs/dbraw/zinc/87/90/05/387879005.db2.gz AKNXABZJNXMOIX-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)[nH+]1 ZINC000528212357 387881112 /nfs/dbraw/zinc/88/11/12/387881112.db2.gz WQJIAALVVNSSLT-AWEZNQCLSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cccc(NC[C@@H]2CC[N@H+]2C2CCCC2)[nH+]1 ZINC000528212357 387881115 /nfs/dbraw/zinc/88/11/15/387881115.db2.gz WQJIAALVVNSSLT-AWEZNQCLSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1occc1C[N@H+](C)CCc1cc[nH+]cc1C ZINC000645780881 387907142 /nfs/dbraw/zinc/90/71/42/387907142.db2.gz CVNNZZHDCUBJPY-UHFFFAOYSA-N 2 2 244.338 2.966 20 0 BFADLP Cc1occc1C[N@@H+](C)CCc1cc[nH+]cc1C ZINC000645780881 387907146 /nfs/dbraw/zinc/90/71/46/387907146.db2.gz CVNNZZHDCUBJPY-UHFFFAOYSA-N 2 2 244.338 2.966 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000300235403 387919598 /nfs/dbraw/zinc/91/95/98/387919598.db2.gz ADGSOVQBECRKAF-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000300235403 387919605 /nfs/dbraw/zinc/91/96/05/387919605.db2.gz ADGSOVQBECRKAF-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP c1cn([C@H]2CCC[N@@H+](CC3=CCCC3)C2)c[nH+]1 ZINC000645793724 387916421 /nfs/dbraw/zinc/91/64/21/387916421.db2.gz NQJKJUZWFYCZJM-AWEZNQCLSA-N 2 2 231.343 2.630 20 0 BFADLP c1cn([C@H]2CCC[N@H+](CC3=CCCC3)C2)c[nH+]1 ZINC000645793724 387916424 /nfs/dbraw/zinc/91/64/24/387916424.db2.gz NQJKJUZWFYCZJM-AWEZNQCLSA-N 2 2 231.343 2.630 20 0 BFADLP CCC[C@]1(C)CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459349534 387931800 /nfs/dbraw/zinc/93/18/00/387931800.db2.gz FDPWEGQWLAKSER-OAHLLOKOSA-N 2 2 249.402 2.865 20 0 BFADLP CCC[C@]1(C)CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459349534 387931806 /nfs/dbraw/zinc/93/18/06/387931806.db2.gz FDPWEGQWLAKSER-OAHLLOKOSA-N 2 2 249.402 2.865 20 0 BFADLP c1cn(CCCC[NH2+]C2CCCCCC2)c[nH+]1 ZINC000044353245 387936345 /nfs/dbraw/zinc/93/63/45/387936345.db2.gz WJPYICJCZAEGLW-UHFFFAOYSA-N 2 2 235.375 2.976 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000044353256 387936495 /nfs/dbraw/zinc/93/64/95/387936495.db2.gz IFVRMNIVDLEZGP-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000533038234 387924036 /nfs/dbraw/zinc/92/40/36/387924036.db2.gz IQNNYWMMFSFWFP-KFWWJZLASA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000533038234 387924041 /nfs/dbraw/zinc/92/40/41/387924041.db2.gz IQNNYWMMFSFWFP-KFWWJZLASA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000396667955 387940391 /nfs/dbraw/zinc/94/03/91/387940391.db2.gz POKAWKQIBCQHEH-GWCFXTLKSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@H](C1CCCCC1)[N@H+](C)CCc1c[nH+]cn1C ZINC000459443736 387943021 /nfs/dbraw/zinc/94/30/21/387943021.db2.gz QFYJMTBJRYYBJR-CYBMUJFWSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@H](C1CCCCC1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000459443736 387943024 /nfs/dbraw/zinc/94/30/24/387943024.db2.gz QFYJMTBJRYYBJR-CYBMUJFWSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@H]([NH2+]CC[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000423178405 387963264 /nfs/dbraw/zinc/96/32/64/387963264.db2.gz FVRKVKNMNGBDCO-QMMMGPOBSA-N 2 2 238.718 2.696 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423178023 387963751 /nfs/dbraw/zinc/96/37/51/387963751.db2.gz BLPZDZPVOBOFGV-QWHCGFSZSA-N 2 2 238.400 2.931 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423178024 387963979 /nfs/dbraw/zinc/96/39/79/387963979.db2.gz BLPZDZPVOBOFGV-STQMWFEESA-N 2 2 238.400 2.931 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[NH3+])c1cc2ccccc2o1 ZINC000423178457 387964081 /nfs/dbraw/zinc/96/40/81/387964081.db2.gz GDXWQUKVOVVEJU-CQSZACIVSA-N 2 2 232.327 2.678 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1C ZINC000423180520 387966739 /nfs/dbraw/zinc/96/67/39/387966739.db2.gz FBNJOXIGQYQVBQ-ZFWWWQNUSA-N 2 2 232.371 2.706 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]C1)[C@@H](C)C2 ZINC000423185922 387970560 /nfs/dbraw/zinc/97/05/60/387970560.db2.gz JOACOZKOOLSHAZ-JGGQBBKZSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423197070 387981553 /nfs/dbraw/zinc/98/15/53/387981553.db2.gz XPTXBJPJSWREEV-LRDDRELGSA-N 2 2 244.382 2.967 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccco1 ZINC000423186194 387972451 /nfs/dbraw/zinc/97/24/51/387972451.db2.gz WPOCMWMMWTVJEH-NSHDSACASA-N 2 2 222.332 2.592 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccccc1F ZINC000424329857 387975799 /nfs/dbraw/zinc/97/57/99/387975799.db2.gz GYCYFOPGEYRLOU-LERXQTSPSA-N 2 2 236.334 2.746 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000423191268 387975849 /nfs/dbraw/zinc/97/58/49/387975849.db2.gz OWDQKJBRIQPAKH-KBPBESRZSA-N 2 2 236.334 2.618 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453064013 387976082 /nfs/dbraw/zinc/97/60/82/387976082.db2.gz FQNZPZRYRNRJGI-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453064013 387976086 /nfs/dbraw/zinc/97/60/86/387976086.db2.gz FQNZPZRYRNRJGI-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CCC2 ZINC000423190078 387976612 /nfs/dbraw/zinc/97/66/12/387976612.db2.gz NJUFGXCBVGCEJQ-HIFRSBDPSA-N 2 2 248.345 2.545 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000453063815 387977341 /nfs/dbraw/zinc/97/73/41/387977341.db2.gz VSWTZYXYZCRIIY-CQSZACIVSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1C(C)(C)C ZINC000423211059 387995859 /nfs/dbraw/zinc/99/58/59/387995859.db2.gz XTTHOMAKDRAWHM-QWHCGFSZSA-N 2 2 246.398 2.997 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccsc1 ZINC000423209992 387995894 /nfs/dbraw/zinc/99/58/94/387995894.db2.gz GNTSGPPNYSRIRR-NEPJUHHUSA-N 2 2 224.373 2.541 20 0 BFADLP CC(C)Cc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000423205558 387991315 /nfs/dbraw/zinc/99/13/15/387991315.db2.gz CAAYXHZILUCVQJ-BBRMVZONSA-N 2 2 246.398 2.898 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCCCC(C)(C)C1 ZINC000446073236 387994000 /nfs/dbraw/zinc/99/40/00/387994000.db2.gz XNQYJTKPLWNDCP-UHFFFAOYSA-N 2 2 235.375 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCCCC(C)(C)C1 ZINC000446073236 387994003 /nfs/dbraw/zinc/99/40/03/387994003.db2.gz XNQYJTKPLWNDCP-UHFFFAOYSA-N 2 2 235.375 2.704 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000453088659 387982720 /nfs/dbraw/zinc/98/27/20/387982720.db2.gz OIBNGDKFZGASMF-CABCVRRESA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccncc1 ZINC000453088659 387982723 /nfs/dbraw/zinc/98/27/23/387982723.db2.gz OIBNGDKFZGASMF-CABCVRRESA-N 2 2 247.386 2.607 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)[N@H+](C)C1CC1 ZINC000453096783 387984140 /nfs/dbraw/zinc/98/41/40/387984140.db2.gz IAXIZKYEEPOVAP-XHDPSFHLSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)[N@@H+](C)C1CC1 ZINC000453096783 387984145 /nfs/dbraw/zinc/98/41/45/387984145.db2.gz IAXIZKYEEPOVAP-XHDPSFHLSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccco1 ZINC000423199109 387985518 /nfs/dbraw/zinc/98/55/18/387985518.db2.gz JBISDZBGGUANEQ-LBPRGKRZSA-N 2 2 236.359 2.982 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])o1 ZINC000424374880 387999748 /nfs/dbraw/zinc/99/97/48/387999748.db2.gz LYYQOUJMBUTWDZ-QJPTWQEYSA-N 2 2 222.332 2.509 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423222906 388003847 /nfs/dbraw/zinc/00/38/47/388003847.db2.gz DEKWIOICZRNAQN-MRVPVSSYSA-N 2 2 247.169 2.863 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000423223360 388006149 /nfs/dbraw/zinc/00/61/49/388006149.db2.gz GDXQFNHYHMIVLK-GFCCVEGCSA-N 2 2 228.339 2.710 20 0 BFADLP CCSc1ccc([C@@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423224425 388006179 /nfs/dbraw/zinc/00/61/79/388006179.db2.gz JDZSJVJSNBWTDR-LLVKDONJSA-N 2 2 238.400 2.669 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000423224915 388008456 /nfs/dbraw/zinc/00/84/56/388008456.db2.gz KMDUAXSMUWJNLC-VIFPVBQESA-N 2 2 246.276 2.575 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](c1ccc(Cl)cc1)C(C)C ZINC000423226803 388010672 /nfs/dbraw/zinc/01/06/72/388010672.db2.gz SKAORDDJDOYXNC-CYBMUJFWSA-N 2 2 240.778 2.846 20 0 BFADLP CC(C)CCC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000252729569 135103644 /nfs/dbraw/zinc/10/36/44/135103644.db2.gz HGLVADJKJAGJTF-STQMWFEESA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CCC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000252729569 135103646 /nfs/dbraw/zinc/10/36/46/135103646.db2.gz HGLVADJKJAGJTF-STQMWFEESA-N 2 2 212.381 2.624 20 0 BFADLP C[NH2+]CC[NH2+][C@H](CC(C)C)c1ccccc1C ZINC000423227822 388012617 /nfs/dbraw/zinc/01/26/17/388012617.db2.gz XDSQTHXVUQTVAP-OAHLLOKOSA-N 2 2 234.387 2.891 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1C ZINC000423231880 388016976 /nfs/dbraw/zinc/01/69/76/388016976.db2.gz HGRZUMYPGJTYAU-UKRRQHHQSA-N 2 2 232.371 2.706 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1C ZINC000423234126 388018035 /nfs/dbraw/zinc/01/80/35/388018035.db2.gz KZYOWKCLCCDXIV-KGLIPLIRSA-N 2 2 232.371 2.706 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CC[C@@H](C)c2ccsc21 ZINC000423235546 388018814 /nfs/dbraw/zinc/01/88/14/388018814.db2.gz NHIQOPAPIQRBSK-ZYHUDNBSSA-N 2 2 238.400 2.886 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@H]1CCCC[C@H]1C ZINC000453233653 388019391 /nfs/dbraw/zinc/01/93/91/388019391.db2.gz RPPIANZBKIZFDJ-RQJABVFESA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000453235871 388019475 /nfs/dbraw/zinc/01/94/75/388019475.db2.gz AUGNWTUZRXSGLK-QWHCGFSZSA-N 2 2 247.386 2.825 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000453235871 388019477 /nfs/dbraw/zinc/01/94/77/388019477.db2.gz AUGNWTUZRXSGLK-QWHCGFSZSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H]1CCCC[C@H]1C ZINC000453233657 388019616 /nfs/dbraw/zinc/01/96/16/388019616.db2.gz RPPIANZBKIZFDJ-XJFOESAGSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000156702491 388026018 /nfs/dbraw/zinc/02/60/18/388026018.db2.gz MZCPSEUDBVEMNL-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C(C)(C)C ZINC000156702491 388026021 /nfs/dbraw/zinc/02/60/21/388026021.db2.gz MZCPSEUDBVEMNL-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccco1 ZINC000423236511 388020055 /nfs/dbraw/zinc/02/00/55/388020055.db2.gz HJUQGJAPJBPHKK-YPMHNXCESA-N 2 2 230.311 2.630 20 0 BFADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423239907 388022397 /nfs/dbraw/zinc/02/23/97/388022397.db2.gz BVCHIWPTESLSTA-WFASDCNBSA-N 2 2 244.338 2.500 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000423239857 388022509 /nfs/dbraw/zinc/02/25/09/388022509.db2.gz SRPFRBVWIGWMBF-CHWSQXEVSA-N 2 2 238.400 2.931 20 0 BFADLP C[NH2+]CC[NH2+][C@H]1CCCc2c(Cl)cccc21 ZINC000423238874 388023026 /nfs/dbraw/zinc/02/30/26/388023026.db2.gz FMMYDSKIQPBXMB-ZDUSSCGKSA-N 2 2 238.762 2.526 20 0 BFADLP c1csc([C@@H]([NH2+]Cc2c[nH+]c[nH]2)C2CC2)c1 ZINC000082394048 388032935 /nfs/dbraw/zinc/03/29/35/388032935.db2.gz GFSQOKFNPOELKN-LBPRGKRZSA-N 2 2 233.340 2.712 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000423250995 388033096 /nfs/dbraw/zinc/03/30/96/388033096.db2.gz VFYPPKZZDROIHT-LLVKDONJSA-N 2 2 246.329 2.849 20 0 BFADLP [NH3+][C@@H](C[NH2+][C@H](C1CC1)C1CCC1)c1ccccc1 ZINC000423251200 388033146 /nfs/dbraw/zinc/03/31/46/388033146.db2.gz ROVQWTZDSQKHGZ-HOTGVXAUSA-N 2 2 244.382 2.855 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000423250929 388034053 /nfs/dbraw/zinc/03/40/53/388034053.db2.gz VASWKPTVTWHYPY-ZDUSSCGKSA-N 2 2 220.360 2.564 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000446759958 388036815 /nfs/dbraw/zinc/03/68/15/388036815.db2.gz DPKNBNFZMFBGIS-FMKPAKJESA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000446759958 388036819 /nfs/dbraw/zinc/03/68/19/388036819.db2.gz DPKNBNFZMFBGIS-FMKPAKJESA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1 ZINC000446759964 388037904 /nfs/dbraw/zinc/03/79/04/388037904.db2.gz DPKNBNFZMFBGIS-YCPHGPKFSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1 ZINC000446759964 388037905 /nfs/dbraw/zinc/03/79/05/388037905.db2.gz DPKNBNFZMFBGIS-YCPHGPKFSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C[C@@H]1C ZINC000082836005 388041309 /nfs/dbraw/zinc/04/13/09/388041309.db2.gz FNBVURIXLJHKGF-FRRDWIJNSA-N 2 2 226.408 2.741 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+](CC3=CCCC3)C2)[nH]1 ZINC000645829228 388042022 /nfs/dbraw/zinc/04/20/22/388042022.db2.gz VEEAIVDVAQBRJZ-CYBMUJFWSA-N 2 2 231.343 2.699 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+](CC3=CCCC3)C2)[nH]1 ZINC000645829228 388042025 /nfs/dbraw/zinc/04/20/25/388042025.db2.gz VEEAIVDVAQBRJZ-CYBMUJFWSA-N 2 2 231.343 2.699 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000423242331 388026631 /nfs/dbraw/zinc/02/66/31/388026631.db2.gz JFIKXEAXYFUUPX-OAHLLOKOSA-N 2 2 234.387 2.973 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])c2ccccc2)o1 ZINC000423250094 388031258 /nfs/dbraw/zinc/03/12/58/388031258.db2.gz UPCVNTPOPLMBRP-GXTWGEPZSA-N 2 2 244.338 2.939 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(CC)s1 ZINC000423249513 388031379 /nfs/dbraw/zinc/03/13/79/388031379.db2.gz SKQLZFJVFKFOED-SNVBAGLBSA-N 2 2 226.389 2.571 20 0 BFADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H]1CCCc2occc21 ZINC000423272532 388051241 /nfs/dbraw/zinc/05/12/41/388051241.db2.gz ZBYBCUDGDDJOBS-AAEUAGOBSA-N 2 2 236.359 2.620 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cc(F)ccc1F ZINC000423275965 388057372 /nfs/dbraw/zinc/05/73/72/388057372.db2.gz NRWPTTHOLLZBKB-NOZJJQNGSA-N 2 2 242.313 2.599 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000453382304 388065911 /nfs/dbraw/zinc/06/59/11/388065911.db2.gz BMLRAWXRRMCHNQ-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CC1 ZINC000453382304 388065913 /nfs/dbraw/zinc/06/59/13/388065913.db2.gz BMLRAWXRRMCHNQ-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc2ccccc2n1 ZINC000423288736 388073192 /nfs/dbraw/zinc/07/31/92/388073192.db2.gz USDLEBMDZBFRPW-NSHDSACASA-N 2 2 243.354 2.623 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000423295446 388076948 /nfs/dbraw/zinc/07/69/48/388076948.db2.gz AJBSFZFSNKGXCR-CQSZACIVSA-N 2 2 238.350 2.866 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ncccc1CC ZINC000423296741 388079046 /nfs/dbraw/zinc/07/90/46/388079046.db2.gz HPOQKXYCHNTBIT-OCCSQVGLSA-N 2 2 249.402 2.812 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1(C)CC1 ZINC000447577191 388079402 /nfs/dbraw/zinc/07/94/02/388079402.db2.gz GFZGQMXKDDJQJS-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1(C)CC1 ZINC000447577191 388079404 /nfs/dbraw/zinc/07/94/04/388079404.db2.gz GFZGQMXKDDJQJS-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000447604105 388081656 /nfs/dbraw/zinc/08/16/56/388081656.db2.gz YPJHTASQGZGSBI-LSDHHAIUSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000447604105 388081659 /nfs/dbraw/zinc/08/16/59/388081659.db2.gz YPJHTASQGZGSBI-LSDHHAIUSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1(C)CC1 ZINC000447599085 388081813 /nfs/dbraw/zinc/08/18/13/388081813.db2.gz IZMOIYMDVSAQFB-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1(C)CC1 ZINC000447599085 388081815 /nfs/dbraw/zinc/08/18/15/388081815.db2.gz IZMOIYMDVSAQFB-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000084988094 388082313 /nfs/dbraw/zinc/08/23/13/388082313.db2.gz WCEFREBRNHVDMO-ZOBORPQBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C ZINC000084988094 388082315 /nfs/dbraw/zinc/08/23/15/388082315.db2.gz WCEFREBRNHVDMO-ZOBORPQBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2)C[C@@H]1C ZINC000084982987 388082346 /nfs/dbraw/zinc/08/23/46/388082346.db2.gz VEOPCMPDNUQXLZ-RDBSUJKOSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000463700794 388092062 /nfs/dbraw/zinc/09/20/62/388092062.db2.gz ZAPWAYSHWSODFP-ZFWWWQNUSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCC1=CCCCCC1 ZINC000463700794 388092064 /nfs/dbraw/zinc/09/20/64/388092064.db2.gz ZAPWAYSHWSODFP-ZFWWWQNUSA-N 2 2 236.403 2.807 20 0 BFADLP Cc1cccc(NC[C@@H]2[N@H+](C)CCCC2(C)C)[nH+]1 ZINC000447812919 388094144 /nfs/dbraw/zinc/09/41/44/388094144.db2.gz TYEGVYUNRBACBR-ZDUSSCGKSA-N 2 2 247.386 2.922 20 0 BFADLP C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)Cc1ccccc1 ZINC000453627894 388094243 /nfs/dbraw/zinc/09/42/43/388094243.db2.gz VXYVCMCEORCLDM-AWEZNQCLSA-N 2 2 248.414 2.795 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)o1 ZINC000423266407 388046390 /nfs/dbraw/zinc/04/63/90/388046390.db2.gz RXMQIJBWXGFQQU-WCQYABFASA-N 2 2 238.375 2.920 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000449233382 388160413 /nfs/dbraw/zinc/16/04/13/388160413.db2.gz LHHCNYDIYLKRKW-UPJWGTAASA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000449233382 388160414 /nfs/dbraw/zinc/16/04/14/388160414.db2.gz LHHCNYDIYLKRKW-UPJWGTAASA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C ZINC000488464272 388181417 /nfs/dbraw/zinc/18/14/17/388181417.db2.gz RMDCDTJMWNRBTB-FMKPAKJESA-N 2 2 246.398 2.753 20 0 BFADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1C[C@H]1C ZINC000488464272 388181420 /nfs/dbraw/zinc/18/14/20/388181420.db2.gz RMDCDTJMWNRBTB-FMKPAKJESA-N 2 2 246.398 2.753 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]C2CC(C(C)C)C2)CC1 ZINC000488505853 388183527 /nfs/dbraw/zinc/18/35/27/388183527.db2.gz ZPCMCAYMWHLZPC-UHFFFAOYSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]C2CC(C(C)C)C2)CC1 ZINC000488505853 388183530 /nfs/dbraw/zinc/18/35/30/388183530.db2.gz ZPCMCAYMWHLZPC-UHFFFAOYSA-N 2 2 236.403 2.663 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000261527983 135152820 /nfs/dbraw/zinc/15/28/20/135152820.db2.gz IKIFYDSCWPGKRK-CSMHCCOUSA-N 2 2 232.780 2.788 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000261527986 135152857 /nfs/dbraw/zinc/15/28/57/135152857.db2.gz IKIFYDSCWPGKRK-FXQIFTODSA-N 2 2 232.780 2.788 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@H]1CCCC[C@H]1C ZINC000449101170 388142354 /nfs/dbraw/zinc/14/23/54/388142354.db2.gz DLTQOGTWLSFMEE-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@H]1CCCC[C@H]1C ZINC000449101170 388142355 /nfs/dbraw/zinc/14/23/55/388142355.db2.gz DLTQOGTWLSFMEE-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cccc(CC[NH2+]C[C@H](C)[N@H+](C)C2CC2)c1 ZINC000449135795 388147190 /nfs/dbraw/zinc/14/71/90/388147190.db2.gz RLQCUTKKBHKHDO-AWEZNQCLSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[NH2+]C[C@H](C)[N@@H+](C)C2CC2)c1 ZINC000449135795 388147192 /nfs/dbraw/zinc/14/71/92/388147192.db2.gz RLQCUTKKBHKHDO-AWEZNQCLSA-N 2 2 246.398 2.610 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449147097 388148606 /nfs/dbraw/zinc/14/86/06/388148606.db2.gz PNOPHMTXXDLLAP-CYBMUJFWSA-N 2 2 238.375 2.532 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)Cc1ccoc1 ZINC000449147097 388148607 /nfs/dbraw/zinc/14/86/07/388148607.db2.gz PNOPHMTXXDLLAP-CYBMUJFWSA-N 2 2 238.375 2.532 20 0 BFADLP CCC1([NH2+]Cc2c[nH+]c3c(C)cccn23)CC1 ZINC000449417434 388200165 /nfs/dbraw/zinc/20/01/65/388200165.db2.gz XYDDDWLIHHGCCE-UHFFFAOYSA-N 2 2 229.327 2.675 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)c1 ZINC000313311640 256547224 /nfs/dbraw/zinc/54/72/24/256547224.db2.gz XXHSSLIXIRPJNX-CYBMUJFWSA-N 2 2 243.354 2.622 20 0 BFADLP CCC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000449470064 388212564 /nfs/dbraw/zinc/21/25/64/388212564.db2.gz NHTCCCRLTKVKES-LLVKDONJSA-N 2 2 209.337 2.714 20 0 BFADLP CCC[C@H]([NH2+]Cc1c[nH+]c[nH]1)C(C)(C)C ZINC000449470065 388212629 /nfs/dbraw/zinc/21/26/29/388212629.db2.gz NHTCCCRLTKVKES-NSHDSACASA-N 2 2 209.337 2.714 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000449482056 388215019 /nfs/dbraw/zinc/21/50/19/388215019.db2.gz ABTPYVAPQINDGP-OLZOCXBDSA-N 2 2 243.354 2.778 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000449486771 388216811 /nfs/dbraw/zinc/21/68/11/388216811.db2.gz VERQUBZFCURTSD-OLZOCXBDSA-N 2 2 243.354 2.778 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000459421315 388243462 /nfs/dbraw/zinc/24/34/62/388243462.db2.gz YRQNHGRKSBPCKV-UKRRQHHQSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000459421315 388243465 /nfs/dbraw/zinc/24/34/65/388243465.db2.gz YRQNHGRKSBPCKV-UKRRQHHQSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C ZINC000451443591 388273927 /nfs/dbraw/zinc/27/39/27/388273927.db2.gz ZRJRBTPQZIHGFS-GFCCVEGCSA-N 2 2 223.364 2.688 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1C[C@@H]1C ZINC000289229814 388351215 /nfs/dbraw/zinc/35/12/15/388351215.db2.gz KCOFSDGADFGFKD-JSGCOSHPSA-N 2 2 218.344 2.568 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H](C)c2ccccc2)n1C ZINC000519000500 256641301 /nfs/dbraw/zinc/64/13/01/256641301.db2.gz DRGOVAPESVVQBU-GFCCVEGCSA-N 2 2 243.354 2.622 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000235108662 388365254 /nfs/dbraw/zinc/36/52/54/388365254.db2.gz BKFCHWMNOXGUGZ-KWCYVHTRSA-N 2 2 224.392 2.519 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C1(C)CCC1 ZINC000290354512 388366094 /nfs/dbraw/zinc/36/60/94/388366094.db2.gz MFLYBDGAJBTKNU-UHFFFAOYSA-N 2 2 218.344 2.855 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000572696576 388366364 /nfs/dbraw/zinc/36/63/64/388366364.db2.gz NWXYUMDOMPLWEV-CQSZACIVSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000572696576 388366365 /nfs/dbraw/zinc/36/63/65/388366365.db2.gz NWXYUMDOMPLWEV-CQSZACIVSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000235530662 388371112 /nfs/dbraw/zinc/37/11/12/388371112.db2.gz BJGCYISVCKHJDH-IUCAKERBSA-N 2 2 244.791 2.804 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000572780582 388375663 /nfs/dbraw/zinc/37/56/63/388375663.db2.gz PBJHPROBGDCPAS-UHFFFAOYSA-N 2 2 238.762 2.522 20 0 BFADLP CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1CCC1 ZINC000322605839 388441102 /nfs/dbraw/zinc/44/11/02/388441102.db2.gz YXBIRFYOAHVSSH-CQSZACIVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1CCC1 ZINC000322605839 388441103 /nfs/dbraw/zinc/44/11/03/388441103.db2.gz YXBIRFYOAHVSSH-CQSZACIVSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C1CC(C(C)C)C1 ZINC000309998782 388472087 /nfs/dbraw/zinc/47/20/87/388472087.db2.gz DDDHJWCQQHRRNY-UHFFFAOYSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C1CC(C(C)C)C1 ZINC000309998782 388472090 /nfs/dbraw/zinc/47/20/90/388472090.db2.gz DDDHJWCQQHRRNY-UHFFFAOYSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397586367 388481674 /nfs/dbraw/zinc/48/16/74/388481674.db2.gz APTXRCAAUXOAQJ-QWHCGFSZSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H]1CC[N@@H+](C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245693556 388428198 /nfs/dbraw/zinc/42/81/98/388428198.db2.gz WNXGRLKMPIYGGJ-GXTWGEPZSA-N 2 2 233.359 2.709 20 0 BFADLP C[C@H]1CC[N@H+](C2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245693556 388428199 /nfs/dbraw/zinc/42/81/99/388428199.db2.gz WNXGRLKMPIYGGJ-GXTWGEPZSA-N 2 2 233.359 2.709 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccoc1 ZINC000166569672 388428729 /nfs/dbraw/zinc/42/87/29/388428729.db2.gz QUHXZFUWLBGJKF-LBPRGKRZSA-N 2 2 224.348 2.661 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccoc1 ZINC000166569672 388428731 /nfs/dbraw/zinc/42/87/31/388428731.db2.gz QUHXZFUWLBGJKF-LBPRGKRZSA-N 2 2 224.348 2.661 20 0 BFADLP Cc1ccc(CO[C@H](C)Cc2[nH]cc[nH+]2)c(C)[nH+]1 ZINC000548474430 388541811 /nfs/dbraw/zinc/54/18/11/388541811.db2.gz YNELUYBEKWESBD-LLVKDONJSA-N 2 2 245.326 2.569 20 0 BFADLP C[NH+](C)C1(C[NH2+]CCC2CCCCC2)CC1 ZINC000397776453 388497864 /nfs/dbraw/zinc/49/78/64/388497864.db2.gz NJYAPJJTOFDZEP-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)[C@H]1CC1(C)C ZINC000397806091 388501259 /nfs/dbraw/zinc/50/12/59/388501259.db2.gz HDYVGGSLSGFUDO-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CC1 ZINC000397842590 388505006 /nfs/dbraw/zinc/50/50/06/388505006.db2.gz RBMNYQWZNYYPES-AWEZNQCLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)[C@H]1CC1(C)C ZINC000397854689 388506113 /nfs/dbraw/zinc/50/61/13/388506113.db2.gz SVNQKRNNZWRMMK-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)C1CCC([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000397871382 388508496 /nfs/dbraw/zinc/50/84/96/388508496.db2.gz JQWRDFQENNNVMO-UHFFFAOYSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000397936670 388511572 /nfs/dbraw/zinc/51/15/72/388511572.db2.gz SEFNELBWJJXDIV-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[NH+]1CCC([N@H+](C)C/C=C(/C)Cl)CC1 ZINC000528399449 388518943 /nfs/dbraw/zinc/51/89/43/388518943.db2.gz XEJNCXDBWXPWAI-WZUFQYTHSA-N 2 2 230.783 2.545 20 0 BFADLP CC[NH+]1CCC([N@@H+](C)C/C=C(/C)Cl)CC1 ZINC000528399449 388518946 /nfs/dbraw/zinc/51/89/46/388518946.db2.gz XEJNCXDBWXPWAI-WZUFQYTHSA-N 2 2 230.783 2.545 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+](C)[C@@H](C)C[NH3+] ZINC000347199251 388522290 /nfs/dbraw/zinc/52/22/90/388522290.db2.gz IVOIVOQJTUEGSI-JTQLQIEISA-N 2 2 232.327 2.520 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+](C)[C@@H](C)C[NH3+] ZINC000347199251 388522292 /nfs/dbraw/zinc/52/22/92/388522292.db2.gz IVOIVOQJTUEGSI-JTQLQIEISA-N 2 2 232.327 2.520 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC2(C)C)n1C ZINC000516878700 388522693 /nfs/dbraw/zinc/52/26/93/388522693.db2.gz TXRJPNSPBHTJDF-LBPRGKRZSA-N 2 2 235.375 2.644 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCCC2(C)C)n1C ZINC000516878699 388522860 /nfs/dbraw/zinc/52/28/60/388522860.db2.gz TXRJPNSPBHTJDF-GFCCVEGCSA-N 2 2 235.375 2.644 20 0 BFADLP c1cn(CC[NH2+]CCC2CCCCCC2)c[nH+]1 ZINC000347915273 388524281 /nfs/dbraw/zinc/52/42/81/388524281.db2.gz AQKSRCSKSUQKCL-UHFFFAOYSA-N 2 2 235.375 2.833 20 0 BFADLP C/C(Cl)=C/C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000528479449 388530080 /nfs/dbraw/zinc/53/00/80/388530080.db2.gz WSCNFLQCMNDODX-HUMZTAOYSA-N 2 2 230.783 2.545 20 0 BFADLP C/C(Cl)=C/C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000528479449 388530081 /nfs/dbraw/zinc/53/00/81/388530081.db2.gz WSCNFLQCMNDODX-HUMZTAOYSA-N 2 2 230.783 2.545 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000328133942 388531313 /nfs/dbraw/zinc/53/13/13/388531313.db2.gz ACEHJGKJMFJGCE-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000328133942 388531314 /nfs/dbraw/zinc/53/13/14/388531314.db2.gz ACEHJGKJMFJGCE-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCCC2)[NH+](C)C ZINC000328217794 388586403 /nfs/dbraw/zinc/58/64/03/388586403.db2.gz YSKWDTPXYLVGKZ-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@@H+](CCn2cc[nH+]c2C2CC2)C1 ZINC000530131370 388615304 /nfs/dbraw/zinc/61/53/04/388615304.db2.gz ZUFWGSDHOMMISY-BETUJISGSA-N 2 2 247.386 2.738 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@H+](CCn2cc[nH+]c2C2CC2)C1 ZINC000530131370 388615306 /nfs/dbraw/zinc/61/53/06/388615306.db2.gz ZUFWGSDHOMMISY-BETUJISGSA-N 2 2 247.386 2.738 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCC1 ZINC000520965152 388558025 /nfs/dbraw/zinc/55/80/25/388558025.db2.gz JYENAOBFIZATEN-CQSZACIVSA-N 2 2 247.386 2.888 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884680 388567866 /nfs/dbraw/zinc/56/78/66/388567866.db2.gz BTNZGZQVVZPQKX-XQLPTFJDSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884680 388567869 /nfs/dbraw/zinc/56/78/69/388567869.db2.gz BTNZGZQVVZPQKX-XQLPTFJDSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000552097317 388668988 /nfs/dbraw/zinc/66/89/88/388668988.db2.gz ZSQDIPBDSXOVOU-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000552097317 388668991 /nfs/dbraw/zinc/66/89/91/388668991.db2.gz ZSQDIPBDSXOVOU-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@H](F)C1 ZINC000521634402 388620689 /nfs/dbraw/zinc/62/06/89/388620689.db2.gz UEYZDLCRAZWIMF-AWEZNQCLSA-N 2 2 236.334 2.757 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@H](F)C1 ZINC000521634402 388620693 /nfs/dbraw/zinc/62/06/93/388620693.db2.gz UEYZDLCRAZWIMF-AWEZNQCLSA-N 2 2 236.334 2.757 20 0 BFADLP C(=C/c1ccccc1)\C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178692 388621055 /nfs/dbraw/zinc/62/10/55/388621055.db2.gz QFHXUURWELFIJN-SGJXGLNRSA-N 2 2 242.366 2.574 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530176657 388621450 /nfs/dbraw/zinc/62/14/50/388621450.db2.gz FCICRMAODMXTCU-HNNXBMFYSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530176658 388622234 /nfs/dbraw/zinc/62/22/34/388622234.db2.gz FCICRMAODMXTCU-OAHLLOKOSA-N 2 2 244.382 2.678 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1CC1(C)C ZINC000551233318 388623633 /nfs/dbraw/zinc/62/36/33/388623633.db2.gz RFTSRWXVCCUWJH-AAEUAGOBSA-N 2 2 247.386 2.744 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC000530213538 388629363 /nfs/dbraw/zinc/62/93/63/388629363.db2.gz WSNQQGXHWSHCAO-DGCLKSJQSA-N 2 2 224.392 2.624 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC000530213538 388629364 /nfs/dbraw/zinc/62/93/64/388629364.db2.gz WSNQQGXHWSHCAO-DGCLKSJQSA-N 2 2 224.392 2.624 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530218779 388631213 /nfs/dbraw/zinc/63/12/13/388631213.db2.gz JNTMMSGAOQYOSW-DZGCQCFKSA-N 2 2 244.382 2.930 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530218791 388631751 /nfs/dbraw/zinc/63/17/51/388631751.db2.gz JNTMMSGAOQYOSW-ZFWWWQNUSA-N 2 2 244.382 2.930 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C(C)C ZINC000247103845 388658497 /nfs/dbraw/zinc/65/84/97/388658497.db2.gz QCZUUBRQYAEAFG-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000247103845 388658499 /nfs/dbraw/zinc/65/84/99/388658499.db2.gz QCZUUBRQYAEAFG-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@H]1C(C)C)[NH+](C)C ZINC000552239984 388685865 /nfs/dbraw/zinc/68/58/65/388685865.db2.gz IKZAPTLXECYXGA-ILXRZTDVSA-N 2 2 240.435 2.987 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000552043969 388664275 /nfs/dbraw/zinc/66/42/75/388664275.db2.gz IZGULKZATTYAPJ-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000552043969 388664277 /nfs/dbraw/zinc/66/42/77/388664277.db2.gz IZGULKZATTYAPJ-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000552254592 388687401 /nfs/dbraw/zinc/68/74/01/388687401.db2.gz MLFNAMZXRYJMBF-KFWWJZLASA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000552254592 388687404 /nfs/dbraw/zinc/68/74/04/388687404.db2.gz MLFNAMZXRYJMBF-KFWWJZLASA-N 2 2 238.419 2.743 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000223195044 388688909 /nfs/dbraw/zinc/68/89/09/388688909.db2.gz VXFXWJZMJZVBBV-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000223195044 388688912 /nfs/dbraw/zinc/68/89/12/388688912.db2.gz VXFXWJZMJZVBBV-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000249056244 388705869 /nfs/dbraw/zinc/70/58/69/388705869.db2.gz XPXSETMVVQGUGM-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000249056244 388705872 /nfs/dbraw/zinc/70/58/72/388705872.db2.gz XPXSETMVVQGUGM-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000226543163 388721806 /nfs/dbraw/zinc/72/18/06/388721806.db2.gz SIZAUEVELYSPLK-SWLSCSKDSA-N 2 2 232.371 2.904 20 0 BFADLP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000226543163 388721810 /nfs/dbraw/zinc/72/18/10/388721810.db2.gz SIZAUEVELYSPLK-SWLSCSKDSA-N 2 2 232.371 2.904 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H]1CCC[C@@H](C)C1 ZINC000229324275 388785544 /nfs/dbraw/zinc/78/55/44/388785544.db2.gz KYLKNQYBAWQORC-GRYCIOLGSA-N 2 2 221.348 2.714 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000554536633 388820119 /nfs/dbraw/zinc/82/01/19/388820119.db2.gz HAVXMQJOLGKAGW-CTBQFLBTSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000554536633 388820124 /nfs/dbraw/zinc/82/01/24/388820124.db2.gz HAVXMQJOLGKAGW-CTBQFLBTSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)C(C[NH2+]CC[NH+]1CCCC1)C(C)C ZINC000232539197 388853440 /nfs/dbraw/zinc/85/34/40/388853440.db2.gz JLBGMPZLQOAYDG-UHFFFAOYSA-N 2 2 226.408 2.600 20 0 BFADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644718 388846347 /nfs/dbraw/zinc/84/63/47/388846347.db2.gz NOVBREXWGCTGSX-OLZOCXBDSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644718 388846353 /nfs/dbraw/zinc/84/63/53/388846353.db2.gz NOVBREXWGCTGSX-OLZOCXBDSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644718 388846360 /nfs/dbraw/zinc/84/63/60/388846360.db2.gz NOVBREXWGCTGSX-OLZOCXBDSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644718 388846362 /nfs/dbraw/zinc/84/63/62/388846362.db2.gz NOVBREXWGCTGSX-OLZOCXBDSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C2CCC2)n1C ZINC000565241490 388931475 /nfs/dbraw/zinc/93/14/75/388931475.db2.gz FBXOAEMCECUQKC-UHFFFAOYSA-N 2 2 235.375 2.644 20 0 BFADLP C[C@@H]([NH2+]C1CC([NH+](C)C)C1)c1ccccc1F ZINC000565842961 388974301 /nfs/dbraw/zinc/97/43/01/388974301.db2.gz JJRWBSRWBMYEQX-VOMCLLRMSA-N 2 2 236.334 2.569 20 0 BFADLP Cc1cccc2c1cc[nH+]c2NC[C@H](C)[NH+](C)C ZINC000565890806 388976473 /nfs/dbraw/zinc/97/64/73/388976473.db2.gz ZBEUONDVDJGKAB-LBPRGKRZSA-N 2 2 243.354 2.905 20 0 BFADLP Cn1c[nH+]c(CC[NH2+]C[C@H]2CCCC(C)(C)C2)c1 ZINC000565819944 388971230 /nfs/dbraw/zinc/97/12/30/388971230.db2.gz ULAVOUDGLAZVLO-ZDUSSCGKSA-N 2 2 249.402 2.769 20 0 BFADLP C[C@@H]([NH2+]Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000400390667 533455121 /nfs/dbraw/zinc/45/51/21/533455121.db2.gz ZTGZXRNKFIHDAK-ZWNOBZJWSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000486970740 533395801 /nfs/dbraw/zinc/39/58/01/533395801.db2.gz NUXQYHRKPRSPAN-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC1(C)C ZINC000486970740 533395807 /nfs/dbraw/zinc/39/58/07/533395807.db2.gz NUXQYHRKPRSPAN-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cccc(CC[C@H](C)[NH2+]C[C@H](C)[NH+](C)C)c1 ZINC000040500890 322832970 /nfs/dbraw/zinc/83/29/70/322832970.db2.gz YWRYUAHYVAIGJF-GJZGRUSLSA-N 2 2 248.414 2.856 20 0 BFADLP c1ccc(N2CCC([NH2+]C3CCCC3)CC2)[nH+]c1 ZINC000036932153 132342930 /nfs/dbraw/zinc/34/29/30/132342930.db2.gz VCCXHWVVLCUCFI-UHFFFAOYSA-N 2 2 245.370 2.583 20 0 BFADLP CC(C)CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932183 132343081 /nfs/dbraw/zinc/34/30/81/132343081.db2.gz MBVVZBSKSMBROW-UHFFFAOYSA-N 2 2 247.386 2.686 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@@H]2CC=CCC2)C1 ZINC000335997569 134042699 /nfs/dbraw/zinc/04/26/99/134042699.db2.gz JTEVLNWKPCUXEV-ZIAGYGMSSA-N 2 2 245.370 2.566 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@@H]2CC=CCC2)C1 ZINC000335997569 134042700 /nfs/dbraw/zinc/04/27/00/134042700.db2.gz JTEVLNWKPCUXEV-ZIAGYGMSSA-N 2 2 245.370 2.566 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000336102729 134083810 /nfs/dbraw/zinc/08/38/10/134083810.db2.gz MTWJLSUIISGXJX-CHWSQXEVSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000336148059 134103238 /nfs/dbraw/zinc/10/32/38/134103238.db2.gz UGKALDCQCYUCNS-NWDGAFQWSA-N 2 2 229.327 2.613 20 0 BFADLP Cc1cc(C[NH+]2CCC([NH+](C)C)CC2)cs1 ZINC000336211686 134134607 /nfs/dbraw/zinc/13/46/07/134134607.db2.gz FXEYLCJVVKSANE-UHFFFAOYSA-N 2 2 238.400 2.583 20 0 BFADLP CCc1ccc(C[NH+]2CCC([NH+](C)C)CC2)cc1 ZINC000172309930 134265624 /nfs/dbraw/zinc/26/56/24/134265624.db2.gz HYQMJFDWQNEXSK-UHFFFAOYSA-N 2 2 246.398 2.775 20 0 BFADLP Cn1c[nH+]cc1C[NH+]1CCC2(CCCCC2)CC1 ZINC000177039453 134294210 /nfs/dbraw/zinc/29/42/10/134294210.db2.gz FMCWHDXOPXCMMX-UHFFFAOYSA-N 2 2 247.386 2.966 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000221649411 134325965 /nfs/dbraw/zinc/32/59/65/134325965.db2.gz MRRQUHASHQPKOO-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000221649411 134325966 /nfs/dbraw/zinc/32/59/66/134325966.db2.gz MRRQUHASHQPKOO-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000221761785 134326497 /nfs/dbraw/zinc/32/64/97/134326497.db2.gz ISXNPZUEJVQWLL-MCIONIFRSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000221958664 134326726 /nfs/dbraw/zinc/32/67/26/134326726.db2.gz DLSXHOSYJUHNSC-YIYPIFLZSA-N 2 2 235.375 2.686 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000222001124 134328706 /nfs/dbraw/zinc/32/87/06/134328706.db2.gz CFRUAAJGYAUWDV-MJBXVCDLSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000222001124 134328707 /nfs/dbraw/zinc/32/87/07/134328707.db2.gz CFRUAAJGYAUWDV-MJBXVCDLSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000222705788 134334060 /nfs/dbraw/zinc/33/40/60/134334060.db2.gz ZFLISJVTLMQLPK-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000222705788 134334061 /nfs/dbraw/zinc/33/40/61/134334061.db2.gz ZFLISJVTLMQLPK-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000226365787 134364353 /nfs/dbraw/zinc/36/43/53/134364353.db2.gz PFDBJMACMSSHCH-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@@H]1C ZINC000226365792 134364427 /nfs/dbraw/zinc/36/44/27/134364427.db2.gz PFDBJMACMSSHCH-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000227563315 134383400 /nfs/dbraw/zinc/38/34/00/134383400.db2.gz CWXUYHWVPPMRPH-MCIONIFRSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000235576085 135047993 /nfs/dbraw/zinc/04/79/93/135047993.db2.gz LLSXUKGMMJAPDS-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000250032015 135048154 /nfs/dbraw/zinc/04/81/54/135048154.db2.gz DTEKLJDCZZXPLF-WDNDVIMCSA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCCCC[C@H]1C ZINC000252171520 135086039 /nfs/dbraw/zinc/08/60/39/135086039.db2.gz OAHDCJHHNGOXAN-OLZOCXBDSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCCCC[C@H]1C ZINC000252171520 135086040 /nfs/dbraw/zinc/08/60/40/135086040.db2.gz OAHDCJHHNGOXAN-OLZOCXBDSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000252189631 135086392 /nfs/dbraw/zinc/08/63/92/135086392.db2.gz UTYKQRHYASFWHA-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000086855765 135098717 /nfs/dbraw/zinc/09/87/17/135098717.db2.gz RCRLZCRQSYTNMW-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000086855765 135098719 /nfs/dbraw/zinc/09/87/19/135098719.db2.gz RCRLZCRQSYTNMW-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH3+])[N@H+](C)Cc1csc2ccccc12 ZINC000259937112 135145454 /nfs/dbraw/zinc/14/54/54/135145454.db2.gz FRRWCPOTOTVPRK-JTQLQIEISA-N 2 2 234.368 2.680 20 0 BFADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1csc2ccccc12 ZINC000259937112 135145455 /nfs/dbraw/zinc/14/54/55/135145455.db2.gz FRRWCPOTOTVPRK-JTQLQIEISA-N 2 2 234.368 2.680 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000261536199 135171069 /nfs/dbraw/zinc/17/10/69/135171069.db2.gz QSEDJOVVYWNVRO-MRVPVSSYSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000261536199 135171070 /nfs/dbraw/zinc/17/10/70/135171070.db2.gz QSEDJOVVYWNVRO-MRVPVSSYSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@@H]1C[N@H+](Cc2csc3ccccc23)C[C@H]1[NH3+] ZINC000261541337 135181283 /nfs/dbraw/zinc/18/12/83/135181283.db2.gz JYKRUONSURZMHI-ZWNOBZJWSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2csc3ccccc23)C[C@H]1[NH3+] ZINC000261541337 135181284 /nfs/dbraw/zinc/18/12/84/135181284.db2.gz JYKRUONSURZMHI-ZWNOBZJWSA-N 2 2 246.379 2.680 20 0 BFADLP Cc1cccc([N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000261544739 135185896 /nfs/dbraw/zinc/18/58/96/135185896.db2.gz ZMQOPEXPBAWYRJ-KGLIPLIRSA-N 2 2 232.371 2.819 20 0 BFADLP Cc1cccc([N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000261544739 135185898 /nfs/dbraw/zinc/18/58/98/135185898.db2.gz ZMQOPEXPBAWYRJ-KGLIPLIRSA-N 2 2 232.371 2.819 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1[NH3+] ZINC000261548461 135186432 /nfs/dbraw/zinc/18/64/32/135186432.db2.gz BJDMTFGHSYNXGS-IUODEOHRSA-N 2 2 246.398 2.763 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@H]1[NH3+] ZINC000261548461 135186433 /nfs/dbraw/zinc/18/64/33/135186433.db2.gz BJDMTFGHSYNXGS-IUODEOHRSA-N 2 2 246.398 2.763 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccsc2Cl)CC[C@H]1[NH3+] ZINC000261554466 135194535 /nfs/dbraw/zinc/19/45/35/135194535.db2.gz UFNFQVPQUGYYIK-PSASIEDQSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccsc2Cl)CC[C@H]1[NH3+] ZINC000261554466 135194537 /nfs/dbraw/zinc/19/45/37/135194537.db2.gz UFNFQVPQUGYYIK-PSASIEDQSA-N 2 2 244.791 2.571 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261559301 135200664 /nfs/dbraw/zinc/20/06/64/135200664.db2.gz TVILOWWBGCRQIE-WFASDCNBSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000261559301 135200665 /nfs/dbraw/zinc/20/06/65/135200665.db2.gz TVILOWWBGCRQIE-WFASDCNBSA-N 2 2 232.371 2.732 20 0 BFADLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000261564700 135207094 /nfs/dbraw/zinc/20/70/94/135207094.db2.gz HJZIJWFXMLROAS-DOMZBBRYSA-N 2 2 246.398 2.906 20 0 BFADLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC000261564700 135207095 /nfs/dbraw/zinc/20/70/95/135207095.db2.gz HJZIJWFXMLROAS-DOMZBBRYSA-N 2 2 246.398 2.906 20 0 BFADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)C1(C)CC1 ZINC000163846769 135208677 /nfs/dbraw/zinc/20/86/77/135208677.db2.gz QZBGSPAJVGBSCN-LBPRGKRZSA-N 2 2 233.359 2.662 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000261569667 135211037 /nfs/dbraw/zinc/21/10/37/135211037.db2.gz GJLQROKQKUTJJS-TZMCWYRMSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000261569667 135211039 /nfs/dbraw/zinc/21/10/39/135211039.db2.gz GJLQROKQKUTJJS-TZMCWYRMSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc2ccccc2c1 ZINC000261584402 135225319 /nfs/dbraw/zinc/22/53/19/135225319.db2.gz SEIHNYOKYFSUOI-BLLLJJGKSA-N 2 2 240.350 2.761 20 0 BFADLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc2ccccc2c1 ZINC000261584402 135225320 /nfs/dbraw/zinc/22/53/20/135225320.db2.gz SEIHNYOKYFSUOI-BLLLJJGKSA-N 2 2 240.350 2.761 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC(C)(C)[NH+](C)C ZINC000342395863 135271168 /nfs/dbraw/zinc/27/11/68/135271168.db2.gz FJASDIYOTACBBA-KGLIPLIRSA-N 2 2 238.419 2.909 20 0 BFADLP CCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342611229 135302599 /nfs/dbraw/zinc/30/25/99/135302599.db2.gz XDLSSRRWPLLKFI-UHFFFAOYSA-N 2 2 221.348 2.779 20 0 BFADLP CCC1CC([NH2+]C[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000342692110 135305891 /nfs/dbraw/zinc/30/58/91/135305891.db2.gz XPVCDKCXFZDYJF-NFOMZHRRSA-N 2 2 238.419 2.885 20 0 BFADLP COc1ccc([C@@H]2CCCCC[N@@H+]2CC[NH3+])cc1 ZINC000263027453 135327837 /nfs/dbraw/zinc/32/78/37/135327837.db2.gz RNVBDKBNHVOQHE-HNNXBMFYSA-N 2 2 248.370 2.571 20 0 BFADLP COc1ccc([C@@H]2CCCCC[N@H+]2CC[NH3+])cc1 ZINC000263027453 135327839 /nfs/dbraw/zinc/32/78/39/135327839.db2.gz RNVBDKBNHVOQHE-HNNXBMFYSA-N 2 2 248.370 2.571 20 0 BFADLP c1[nH]cc(C2CC[NH+](CC3CCCC3)CC2)[nH+]1 ZINC000334312670 135351600 /nfs/dbraw/zinc/35/16/00/135351600.db2.gz USXVZNWGJPLZLU-UHFFFAOYSA-N 2 2 233.359 2.779 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000343072592 135356156 /nfs/dbraw/zinc/35/61/56/135356156.db2.gz QGPIUBFTPNPNMG-UKRRQHHQSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000343072592 135356158 /nfs/dbraw/zinc/35/61/58/135356158.db2.gz QGPIUBFTPNPNMG-UKRRQHHQSA-N 2 2 236.403 2.807 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC12CCCCC2 ZINC000334351292 135368584 /nfs/dbraw/zinc/36/85/84/135368584.db2.gz GCDQJJSEDVLGIU-UHFFFAOYSA-N 2 2 247.386 2.990 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCCC12CCCCC2 ZINC000334351292 135368585 /nfs/dbraw/zinc/36/85/85/135368585.db2.gz GCDQJJSEDVLGIU-UHFFFAOYSA-N 2 2 247.386 2.990 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081625186 135388274 /nfs/dbraw/zinc/38/82/74/135388274.db2.gz RSVXDJMNXPLOKZ-GJZGRUSLSA-N 2 2 236.403 2.641 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@](C)(F)C1 ZINC000347914639 136018283 /nfs/dbraw/zinc/01/82/83/136018283.db2.gz HMGAAPUBQHOSFK-CQSZACIVSA-N 2 2 236.334 2.757 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@](C)(F)C1 ZINC000347914639 136018284 /nfs/dbraw/zinc/01/82/84/136018284.db2.gz HMGAAPUBQHOSFK-CQSZACIVSA-N 2 2 236.334 2.757 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CCc1ccco1 ZINC000347925785 136018680 /nfs/dbraw/zinc/01/86/80/136018680.db2.gz RWBHJFAKASDFLO-UHFFFAOYSA-N 2 2 244.338 2.748 20 0 BFADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000348091994 136035570 /nfs/dbraw/zinc/03/55/70/136035570.db2.gz ZSEWRZFMYDLZNE-HOTGVXAUSA-N 2 2 246.398 2.897 20 0 BFADLP CC[C@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000348091994 136035571 /nfs/dbraw/zinc/03/55/71/136035571.db2.gz ZSEWRZFMYDLZNE-HOTGVXAUSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000348096176 136035868 /nfs/dbraw/zinc/03/58/68/136035868.db2.gz MDEXNHIVHSSBSV-IHRRRGAJSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000348096176 136035869 /nfs/dbraw/zinc/03/58/69/136035869.db2.gz MDEXNHIVHSSBSV-IHRRRGAJSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000348104954 136036539 /nfs/dbraw/zinc/03/65/39/136036539.db2.gz NIVRTQVMOXHKIY-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000348255936 136057227 /nfs/dbraw/zinc/05/72/27/136057227.db2.gz LXHAPJMIYKNSEN-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000348255936 136057228 /nfs/dbraw/zinc/05/72/28/136057228.db2.gz LXHAPJMIYKNSEN-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C ZINC000348326222 136070333 /nfs/dbraw/zinc/07/03/33/136070333.db2.gz MCPCXCIGRAJPCH-GJZGRUSLSA-N 2 2 246.398 2.720 20 0 BFADLP Cc1cccc(CC[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000449231114 397952326 /nfs/dbraw/zinc/95/23/26/397952326.db2.gz CPYZYRLCEPUDFF-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000449231114 397952329 /nfs/dbraw/zinc/95/23/29/397952329.db2.gz CPYZYRLCEPUDFF-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP CC[C@H]1CCC[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000449556435 397956004 /nfs/dbraw/zinc/95/60/04/397956004.db2.gz MRBPUUXIBCMBKY-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[C@H]1CCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000449555233 397956151 /nfs/dbraw/zinc/95/61/51/397956151.db2.gz GKZIXQTVYNITQA-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CCc1ccc(C[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000270013232 397959477 /nfs/dbraw/zinc/95/94/77/397959477.db2.gz UZIFGPWVGNSLAN-UHFFFAOYSA-N 2 2 244.338 2.878 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538418 397919053 /nfs/dbraw/zinc/91/90/53/397919053.db2.gz JXZTXKPRCNHHGO-JUFZMCDQSA-N 2 2 248.345 2.525 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000038076853 397973988 /nfs/dbraw/zinc/97/39/88/397973988.db2.gz YWIOBCMHXMDGMP-OAHLLOKOSA-N 2 2 232.371 2.617 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H]2C[NH3+])c1 ZINC000038076853 397973991 /nfs/dbraw/zinc/97/39/91/397973991.db2.gz YWIOBCMHXMDGMP-OAHLLOKOSA-N 2 2 232.371 2.617 20 0 BFADLP C[C@@H](C[N@@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000291611732 398097500 /nfs/dbraw/zinc/09/75/00/398097500.db2.gz RBWXYLQYWVWRAH-ZDUSSCGKSA-N 2 2 241.338 2.502 20 0 BFADLP C[C@@H](C[N@H+]1CCn2c[nH+]cc2C1)c1ccccc1 ZINC000291611732 398097504 /nfs/dbraw/zinc/09/75/04/398097504.db2.gz RBWXYLQYWVWRAH-ZDUSSCGKSA-N 2 2 241.338 2.502 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCCCC1(C)C ZINC000086842489 322869066 /nfs/dbraw/zinc/86/90/66/322869066.db2.gz DYGUWKCSJWGSFQ-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[NH2+]C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000259569870 322882443 /nfs/dbraw/zinc/88/24/43/322882443.db2.gz YLVKIVUFMSYTTA-AWEZNQCLSA-N 2 2 220.360 2.808 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000393250462 487569224 /nfs/dbraw/zinc/56/92/24/487569224.db2.gz WUGXQWDDLVXBII-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C)C2)C1 ZINC000393250462 487569228 /nfs/dbraw/zinc/56/92/28/487569228.db2.gz WUGXQWDDLVXBII-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CCCc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000318662041 487574622 /nfs/dbraw/zinc/57/46/22/487574622.db2.gz JZLIVKLAAWBVRT-OKILXGFUSA-N 2 2 249.402 2.814 20 0 BFADLP CCCc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000318662041 487574626 /nfs/dbraw/zinc/57/46/26/487574626.db2.gz JZLIVKLAAWBVRT-OKILXGFUSA-N 2 2 249.402 2.814 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cscc1Cl ZINC000393830457 487587075 /nfs/dbraw/zinc/58/70/75/487587075.db2.gz VEDZDAOMUOIZFE-WPRPVWTQSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cscc1Cl ZINC000393830457 487587081 /nfs/dbraw/zinc/58/70/81/487587081.db2.gz VEDZDAOMUOIZFE-WPRPVWTQSA-N 2 2 244.791 2.713 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000116386641 487605780 /nfs/dbraw/zinc/60/57/80/487605780.db2.gz RDUULZLCIIZRAD-JKSUJKDBSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000116386641 487605782 /nfs/dbraw/zinc/60/57/82/487605782.db2.gz RDUULZLCIIZRAD-JKSUJKDBSA-N 2 2 246.398 2.692 20 0 BFADLP CC(C)(C)c1cccc(C[N@@H+]2CCC[NH2+]CC2)c1 ZINC000662240074 409527252 /nfs/dbraw/zinc/52/72/52/409527252.db2.gz IJINRCIQWBXGHM-UHFFFAOYSA-N 2 2 246.398 2.779 20 0 BFADLP CC(C)(C)c1cccc(C[N@H+]2CCC[NH2+]CC2)c1 ZINC000662240074 409527256 /nfs/dbraw/zinc/52/72/56/409527256.db2.gz IJINRCIQWBXGHM-UHFFFAOYSA-N 2 2 246.398 2.779 20 0 BFADLP CCC[N@H+](C[C@@H](CC)CC(F)F)[C@H]1CC[NH2+]C1 ZINC000662245214 409539099 /nfs/dbraw/zinc/53/90/99/409539099.db2.gz IWLHSXCLUSKBIC-RYUDHWBXSA-N 2 2 248.361 2.742 20 0 BFADLP CCC[N@@H+](C[C@@H](CC)CC(F)F)[C@H]1CC[NH2+]C1 ZINC000662245214 409539108 /nfs/dbraw/zinc/53/91/08/409539108.db2.gz IWLHSXCLUSKBIC-RYUDHWBXSA-N 2 2 248.361 2.742 20 0 BFADLP c1cn2c(cccc2C[NH2+]C2(C3CCC3)CC2)[nH+]1 ZINC000651958458 409685973 /nfs/dbraw/zinc/68/59/73/409685973.db2.gz AKJPLSVLSPYRMZ-UHFFFAOYSA-N 2 2 241.338 2.757 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@@H+](CC[NH+](C)C(C)(C)C)C1 ZINC000660904485 409950939 /nfs/dbraw/zinc/95/09/39/409950939.db2.gz SYPLHGOEIQWUTR-BETUJISGSA-N 2 2 226.408 2.695 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@H+](CC[NH+](C)C(C)(C)C)C1 ZINC000660904485 409950945 /nfs/dbraw/zinc/95/09/45/409950945.db2.gz SYPLHGOEIQWUTR-BETUJISGSA-N 2 2 226.408 2.695 20 0 BFADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@H+](C)C(C)(C)C)C1 ZINC000660904485 409950947 /nfs/dbraw/zinc/95/09/47/409950947.db2.gz SYPLHGOEIQWUTR-BETUJISGSA-N 2 2 226.408 2.695 20 0 BFADLP C[C@@H]1C[C@H](C)C[NH+](CC[N@@H+](C)C(C)(C)C)C1 ZINC000660904485 409950950 /nfs/dbraw/zinc/95/09/50/409950950.db2.gz SYPLHGOEIQWUTR-BETUJISGSA-N 2 2 226.408 2.695 20 0 BFADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665238324 410726009 /nfs/dbraw/zinc/72/60/09/410726009.db2.gz WAKXEAQWHGVRIA-FZMZJTMJSA-N 2 2 244.338 2.520 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000665296870 410816994 /nfs/dbraw/zinc/81/69/94/410816994.db2.gz YZJVOLQSFVRYEZ-NOZJJQNGSA-N 2 2 238.762 2.525 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000665294856 410787474 /nfs/dbraw/zinc/78/74/74/410787474.db2.gz XSGXQLIFLZQTEI-SCZZXKLOSA-N 2 2 226.389 2.623 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000309021435 166824869 /nfs/dbraw/zinc/82/48/69/166824869.db2.gz XIAGYMNEOIBFCK-STQMWFEESA-N 2 2 214.397 2.741 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H](C)C(C)(C)CC)C1CC1 ZINC000651214386 410866675 /nfs/dbraw/zinc/86/66/75/410866675.db2.gz JRURLZJIEGJKGO-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H](C)C(C)(C)CC)C1CC1 ZINC000651214386 410866680 /nfs/dbraw/zinc/86/66/80/410866680.db2.gz JRURLZJIEGJKGO-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000651225485 410870726 /nfs/dbraw/zinc/87/07/26/410870726.db2.gz CFSCAJBQRHAJNP-HOTGVXAUSA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000651225485 410870732 /nfs/dbraw/zinc/87/07/32/410870732.db2.gz CFSCAJBQRHAJNP-HOTGVXAUSA-N 2 2 248.414 2.639 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCC(C)(C)c2ccccc21 ZINC000665297652 410819700 /nfs/dbraw/zinc/81/97/00/410819700.db2.gz JFOBSBWHOZIRDD-DOMZBBRYSA-N 2 2 246.398 2.997 20 0 BFADLP CCC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccsc1 ZINC000665297577 410819895 /nfs/dbraw/zinc/81/98/95/410819895.db2.gz IKIWYTWAGQLZKW-ZYHUDNBSSA-N 2 2 226.389 2.787 20 0 BFADLP CC(C)C[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000047892330 167008452 /nfs/dbraw/zinc/00/84/52/167008452.db2.gz PAKWMXUDYQABBL-UHFFFAOYSA-N 2 2 243.354 2.677 20 0 BFADLP CC(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000287379909 167140220 /nfs/dbraw/zinc/14/02/20/167140220.db2.gz PJTNRZFPRSILHH-HIFRSBDPSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000287379909 167140224 /nfs/dbraw/zinc/14/02/24/167140224.db2.gz PJTNRZFPRSILHH-HIFRSBDPSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[NH2+][C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000050270839 167140286 /nfs/dbraw/zinc/14/02/86/167140286.db2.gz OIOXFSSOTMSDEM-OAHLLOKOSA-N 2 2 228.339 2.838 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000336689982 167382329 /nfs/dbraw/zinc/38/23/29/167382329.db2.gz WEZGQYMVLXNRQC-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000336689982 167382333 /nfs/dbraw/zinc/38/23/33/167382333.db2.gz WEZGQYMVLXNRQC-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@@H](C[N@@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000339407076 167396579 /nfs/dbraw/zinc/39/65/79/167396579.db2.gz KUWGSNZKYMNWNU-MRXNPFEDSA-N 2 2 246.398 2.722 20 0 BFADLP CC(C)[C@@H](C[N@H+]1CCC[NH2+]CC1)c1ccccc1 ZINC000339407076 167396581 /nfs/dbraw/zinc/39/65/81/167396581.db2.gz KUWGSNZKYMNWNU-MRXNPFEDSA-N 2 2 246.398 2.722 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000651694596 411136613 /nfs/dbraw/zinc/13/66/13/411136613.db2.gz JKUIQKLHBTWATC-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000651694596 411136614 /nfs/dbraw/zinc/13/66/14/411136614.db2.gz JKUIQKLHBTWATC-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000651767836 411142696 /nfs/dbraw/zinc/14/26/96/411142696.db2.gz MYHCGKPJNKHHKG-MGPQQGTHSA-N 2 2 247.386 2.756 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000651833379 411146995 /nfs/dbraw/zinc/14/69/95/411146995.db2.gz ZUUDMGPDQYEWKE-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccccn1 ZINC000651866016 411148163 /nfs/dbraw/zinc/14/81/63/411148163.db2.gz QKNJIJCQKIGQJP-CQSZACIVSA-N 2 2 249.402 2.710 20 0 BFADLP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccccn1 ZINC000651866016 411148164 /nfs/dbraw/zinc/14/81/64/411148164.db2.gz QKNJIJCQKIGQJP-CQSZACIVSA-N 2 2 249.402 2.710 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CCC23CCCC3)[nH+]1 ZINC000651873380 411148254 /nfs/dbraw/zinc/14/82/54/411148254.db2.gz DMPFYIMXXOLXID-UHFFFAOYSA-N 2 2 241.338 2.853 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CCC23CCCC3)[nH+]1 ZINC000651873380 411148255 /nfs/dbraw/zinc/14/82/55/411148255.db2.gz DMPFYIMXXOLXID-UHFFFAOYSA-N 2 2 241.338 2.853 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC=C(C)C ZINC000659992535 411159973 /nfs/dbraw/zinc/15/99/73/411159973.db2.gz CLDGURHHPNMVMX-CABCVRRESA-N 2 2 236.403 2.901 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC=C(C)C ZINC000659992535 411159979 /nfs/dbraw/zinc/15/99/79/411159979.db2.gz CLDGURHHPNMVMX-CABCVRRESA-N 2 2 236.403 2.901 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC=C(C)C ZINC000659992535 411159982 /nfs/dbraw/zinc/15/99/82/411159982.db2.gz CLDGURHHPNMVMX-CABCVRRESA-N 2 2 236.403 2.901 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC=C(C)C ZINC000659992535 411159986 /nfs/dbraw/zinc/15/99/86/411159986.db2.gz CLDGURHHPNMVMX-CABCVRRESA-N 2 2 236.403 2.901 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000658095192 411243157 /nfs/dbraw/zinc/24/31/57/411243157.db2.gz DWOJNBHKYXXULV-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000658095192 411243158 /nfs/dbraw/zinc/24/31/58/411243158.db2.gz DWOJNBHKYXXULV-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1C[C@@H]1C ZINC000658097759 411244909 /nfs/dbraw/zinc/24/49/09/411244909.db2.gz ZRDKCKCLKQVQMH-CRWXNKLISA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1C[C@@H]1C ZINC000658097759 411244911 /nfs/dbraw/zinc/24/49/11/411244911.db2.gz ZRDKCKCLKQVQMH-CRWXNKLISA-N 2 2 238.419 2.883 20 0 BFADLP CCC(C)(C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000656215134 411211683 /nfs/dbraw/zinc/21/16/83/411211683.db2.gz UYNRPXKZSYPJMZ-UHFFFAOYSA-N 2 2 247.386 2.701 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658057270 411223464 /nfs/dbraw/zinc/22/34/64/411223464.db2.gz OGKSXIUOZJZXDI-ZIAGYGMSSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658057270 411223466 /nfs/dbraw/zinc/22/34/66/411223466.db2.gz OGKSXIUOZJZXDI-ZIAGYGMSSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000658053974 411224493 /nfs/dbraw/zinc/22/44/93/411224493.db2.gz CHNRWJDUTCUERG-ZDUSSCGKSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000658053974 411224495 /nfs/dbraw/zinc/22/44/95/411224495.db2.gz CHNRWJDUTCUERG-ZDUSSCGKSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C1CC1 ZINC000658058424 411225509 /nfs/dbraw/zinc/22/55/09/411225509.db2.gz SQMDDTAIAQIFMD-CHWSQXEVSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000658058424 411225513 /nfs/dbraw/zinc/22/55/13/411225513.db2.gz SQMDDTAIAQIFMD-CHWSQXEVSA-N 2 2 224.392 2.637 20 0 BFADLP C1CC2(C1)CC([NH2+][C@@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000656276640 411228232 /nfs/dbraw/zinc/22/82/32/411228232.db2.gz HSCTYRORPDJRPL-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC([NH2+][C@@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000656276640 411228235 /nfs/dbraw/zinc/22/82/35/411228235.db2.gz HSCTYRORPDJRPL-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C1=CCC(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)C1 ZINC000660092637 411228333 /nfs/dbraw/zinc/22/83/33/411228333.db2.gz BMFGLWQJDKJLRQ-UHFFFAOYSA-N 2 2 231.343 2.555 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1sccc1C ZINC000423306695 411237565 /nfs/dbraw/zinc/23/75/65/411237565.db2.gz FPELDXGQJJLPAX-LLVKDONJSA-N 2 2 226.389 2.707 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000423306923 411238255 /nfs/dbraw/zinc/23/82/55/411238255.db2.gz FSMPYOGMBHBEAI-OAHLLOKOSA-N 2 2 232.371 2.572 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660147157 411262151 /nfs/dbraw/zinc/26/21/51/411262151.db2.gz MTRATZRHZTWFIE-KFWWJZLASA-N 2 2 247.386 2.641 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660147157 411262154 /nfs/dbraw/zinc/26/21/54/411262154.db2.gz MTRATZRHZTWFIE-KFWWJZLASA-N 2 2 247.386 2.641 20 0 BFADLP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@@H](C)[NH+](C)C)CC2 ZINC000655717086 411275587 /nfs/dbraw/zinc/27/55/87/411275587.db2.gz UKNAMTYQPQJCDE-UKRRQHHQSA-N 2 2 246.398 2.830 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC000658220905 411300646 /nfs/dbraw/zinc/30/06/46/411300646.db2.gz JVMKTTMALLHIHK-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC000658220905 411300648 /nfs/dbraw/zinc/30/06/48/411300648.db2.gz JVMKTTMALLHIHK-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)CC1([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000658320719 411331737 /nfs/dbraw/zinc/33/17/37/411331737.db2.gz FMAFBLDCAGGACW-QWHCGFSZSA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)CC1([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000658320719 411331739 /nfs/dbraw/zinc/33/17/39/411331739.db2.gz FMAFBLDCAGGACW-QWHCGFSZSA-N 2 2 236.403 2.780 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000658284412 411322864 /nfs/dbraw/zinc/32/28/64/411322864.db2.gz GCMHXGNVZWXRMD-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)C1 ZINC000658284412 411322868 /nfs/dbraw/zinc/32/28/68/411322868.db2.gz GCMHXGNVZWXRMD-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCc1ccc(C)[nH+]c1NCc1[nH+]ccn1CC ZINC000656777805 411358196 /nfs/dbraw/zinc/35/81/96/411358196.db2.gz CCHGRYCJGSXFSZ-UHFFFAOYSA-N 2 2 244.342 2.781 20 0 BFADLP Cc1cc[nH+]c(NCc2c[nH+]cn2C)c1C1CC1 ZINC000656778777 411358774 /nfs/dbraw/zinc/35/87/74/411358774.db2.gz AHZWCMGQKWATFI-UHFFFAOYSA-N 2 2 242.326 2.613 20 0 BFADLP C[N@H+](C/C=C\c1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000656783383 411359999 /nfs/dbraw/zinc/35/99/99/411359999.db2.gz QQHMWIYACPUOLX-PLNGDYQASA-N 2 2 236.334 2.508 20 0 BFADLP C[N@@H+](C/C=C\c1ccc(F)cc1)CC(C)(C)[NH3+] ZINC000656783383 411360002 /nfs/dbraw/zinc/36/00/02/411360002.db2.gz QQHMWIYACPUOLX-PLNGDYQASA-N 2 2 236.334 2.508 20 0 BFADLP C[N@H+](CC1CCCCCC1)CC(C)(C)[NH3+] ZINC000656783679 411361140 /nfs/dbraw/zinc/36/11/40/411361140.db2.gz UAPXAHZFRZNDAS-UHFFFAOYSA-N 2 2 212.381 2.626 20 0 BFADLP C[N@@H+](CC1CCCCCC1)CC(C)(C)[NH3+] ZINC000656783679 411361144 /nfs/dbraw/zinc/36/11/44/411361144.db2.gz UAPXAHZFRZNDAS-UHFFFAOYSA-N 2 2 212.381 2.626 20 0 BFADLP Cc1cc(C[N@@H+](C)CC(C)(C)[NH3+])ccc1Cl ZINC000656786376 411366033 /nfs/dbraw/zinc/36/60/33/411366033.db2.gz YKMNDHMXBUYTTE-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1cc(C[N@H+](C)CC(C)(C)[NH3+])ccc1Cl ZINC000656786376 411366035 /nfs/dbraw/zinc/36/60/35/411366035.db2.gz YKMNDHMXBUYTTE-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000338020647 168112303 /nfs/dbraw/zinc/11/23/03/168112303.db2.gz MUAZVSQWMSILNN-JKSUJKDBSA-N 2 2 248.414 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000338020647 168112306 /nfs/dbraw/zinc/11/23/06/168112306.db2.gz MUAZVSQWMSILNN-JKSUJKDBSA-N 2 2 248.414 2.807 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]C2CCC(C)CC2)CC1 ZINC000358159298 168112363 /nfs/dbraw/zinc/11/23/63/168112363.db2.gz BIUPZPAEGVLOCP-UHFFFAOYSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]C2CCC(C)CC2)CC1 ZINC000358159298 168112365 /nfs/dbraw/zinc/11/23/65/168112365.db2.gz BIUPZPAEGVLOCP-UHFFFAOYSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC000358225510 168113226 /nfs/dbraw/zinc/11/32/26/168113226.db2.gz KZIIEYWABKMYRK-OAHLLOKOSA-N 2 2 244.382 2.989 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC000358225510 168113227 /nfs/dbraw/zinc/11/32/27/168113227.db2.gz KZIIEYWABKMYRK-OAHLLOKOSA-N 2 2 244.382 2.989 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000338020643 168113343 /nfs/dbraw/zinc/11/33/43/168113343.db2.gz MUAZVSQWMSILNN-HOTGVXAUSA-N 2 2 248.414 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000338020643 168113346 /nfs/dbraw/zinc/11/33/46/168113346.db2.gz MUAZVSQWMSILNN-HOTGVXAUSA-N 2 2 248.414 2.807 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)C[NH+](C)C)C1 ZINC000300009998 168128938 /nfs/dbraw/zinc/12/89/38/168128938.db2.gz BKFCHWMNOXGUGZ-IACUBPJLSA-N 2 2 224.392 2.519 20 0 BFADLP CC1CC[NH+](CCCNc2cccc[nH+]2)CC1 ZINC000299405747 168178823 /nfs/dbraw/zinc/17/88/23/168178823.db2.gz FBQMFEWLKGBSMQ-UHFFFAOYSA-N 2 2 233.359 2.616 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000340277982 168182129 /nfs/dbraw/zinc/18/21/29/168182129.db2.gz KPCOWSYOCLVUFF-OAHLLOKOSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CCC(C)CC1 ZINC000340277982 168182130 /nfs/dbraw/zinc/18/21/30/168182130.db2.gz KPCOWSYOCLVUFF-OAHLLOKOSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000125569507 411384487 /nfs/dbraw/zinc/38/44/87/411384487.db2.gz NNZZZSMMKZAUMI-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000125569507 411384488 /nfs/dbraw/zinc/38/44/88/411384488.db2.gz NNZZZSMMKZAUMI-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CCC(C)(C)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000192352859 168282243 /nfs/dbraw/zinc/28/22/43/168282243.db2.gz CRJNTZZHHLEILE-UHFFFAOYSA-N 2 2 231.343 2.860 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000275479030 411440463 /nfs/dbraw/zinc/44/04/63/411440463.db2.gz JVBXZVLOEQADJD-BMFZPTHFSA-N 2 2 246.398 2.862 20 0 BFADLP CC1CCC([NH2+]C[C@H]([NH3+])c2ccccc2)CC1 ZINC000414824154 411447390 /nfs/dbraw/zinc/44/73/90/411447390.db2.gz AIGDPKFWMDZAID-ZALBZXLWSA-N 2 2 232.371 2.855 20 0 BFADLP CCC[C@H](CC)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414825879 411449804 /nfs/dbraw/zinc/44/98/04/411449804.db2.gz DFUPWCFQANBNFR-KBPBESRZSA-N 2 2 220.360 2.855 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCC(C)(C)C1CC1 ZINC000406096131 411451577 /nfs/dbraw/zinc/45/15/77/411451577.db2.gz FUNGNJCZWZCYKS-UHFFFAOYSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657331560 411468052 /nfs/dbraw/zinc/46/80/52/411468052.db2.gz GVQFWLMQAJYTGD-RYUDHWBXSA-N 2 2 247.386 2.744 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657489329 411532945 /nfs/dbraw/zinc/53/29/45/411532945.db2.gz ZQPOXDIFOVZQLR-LLVKDONJSA-N 2 2 235.375 2.744 20 0 BFADLP C1=CCC(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000659846803 411474319 /nfs/dbraw/zinc/47/43/19/411474319.db2.gz XKPFUUTWNCNHBR-HNNXBMFYSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CCC(C[N@H+]2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000659846803 411474322 /nfs/dbraw/zinc/47/43/22/411474322.db2.gz XKPFUUTWNCNHBR-HNNXBMFYSA-N 2 2 234.387 2.513 20 0 BFADLP C[C@@H](C[NH2+]C1CCC(C2CCC2)CC1)[NH+](C)C ZINC000657348103 411475183 /nfs/dbraw/zinc/47/51/83/411475183.db2.gz KOGPRTXIFDGZDL-GRTSSRMGSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+]C1CCC(C2CCC2)CC1)[NH+](C)C ZINC000657348104 411475237 /nfs/dbraw/zinc/47/52/37/411475237.db2.gz KOGPRTXIFDGZDL-LRVUVFPRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000659870788 411484125 /nfs/dbraw/zinc/48/41/25/411484125.db2.gz HKRQNMNSXCTNEH-OAHLLOKOSA-N 2 2 236.403 2.903 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000659870788 411484128 /nfs/dbraw/zinc/48/41/28/411484128.db2.gz HKRQNMNSXCTNEH-OAHLLOKOSA-N 2 2 236.403 2.903 20 0 BFADLP C1=CCC(C[N@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000659871651 411484167 /nfs/dbraw/zinc/48/41/67/411484167.db2.gz VNANLNYIETZRHY-HNNXBMFYSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CCC(C[N@@H+]2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000659871651 411484169 /nfs/dbraw/zinc/48/41/69/411484169.db2.gz VNANLNYIETZRHY-HNNXBMFYSA-N 2 2 234.387 2.513 20 0 BFADLP CC[C@@H](C)C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657376759 411486496 /nfs/dbraw/zinc/48/64/96/411486496.db2.gz JMGBXTBGCNDFJX-NEPJUHHUSA-N 2 2 235.375 2.744 20 0 BFADLP CCCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCC1 ZINC000657394037 411492576 /nfs/dbraw/zinc/49/25/76/411492576.db2.gz JAOHVWQTMAFKNY-UHFFFAOYSA-N 2 2 247.386 2.889 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@H]1CC1(C)C ZINC000657494444 411533937 /nfs/dbraw/zinc/53/39/37/411533937.db2.gz OGRLOYPBCDPIGI-OLZOCXBDSA-N 2 2 247.386 2.744 20 0 BFADLP CC[NH+]1CCC([NH2+]Cc2ccc(Cl)o2)CC1 ZINC000037977204 169956359 /nfs/dbraw/zinc/95/63/59/169956359.db2.gz DZKYEEZSGRLMHO-UHFFFAOYSA-N 2 2 242.750 2.507 20 0 BFADLP CC(C)C([NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000657403172 411497870 /nfs/dbraw/zinc/49/78/70/411497870.db2.gz SMGGNCMFYLQNKM-UHFFFAOYSA-N 2 2 235.375 2.600 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657441730 411511862 /nfs/dbraw/zinc/51/18/62/411511862.db2.gz HAMYSMLFCCLMSP-CHWSQXEVSA-N 2 2 247.386 2.888 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccsc2)n1C ZINC000657461636 411517512 /nfs/dbraw/zinc/51/75/12/411517512.db2.gz JPTXLOGDAOUZHV-SECBINFHSA-N 2 2 235.356 2.641 20 0 BFADLP CC(C)(C)C(C)(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657473166 411523339 /nfs/dbraw/zinc/52/33/39/411523339.db2.gz FULQOBQZOOWVAB-UHFFFAOYSA-N 2 2 235.375 2.744 20 0 BFADLP CC[C@@H]1CCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657478600 411526118 /nfs/dbraw/zinc/52/61/18/411526118.db2.gz MIIYHPQDUZZOQU-OLZOCXBDSA-N 2 2 247.386 2.745 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000336907775 170020349 /nfs/dbraw/zinc/02/03/49/170020349.db2.gz ZFMRYWJYBJGIQR-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000336907775 170020350 /nfs/dbraw/zinc/02/03/50/170020350.db2.gz ZFMRYWJYBJGIQR-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655855806 411539384 /nfs/dbraw/zinc/53/93/84/411539384.db2.gz ISQOEWUPNYSIPT-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655855806 411539388 /nfs/dbraw/zinc/53/93/88/411539388.db2.gz ISQOEWUPNYSIPT-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655856628 411539494 /nfs/dbraw/zinc/53/94/94/411539494.db2.gz PNUODUMWPAIXIX-HOTGVXAUSA-N 2 2 244.382 2.793 20 0 BFADLP c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000655856628 411539497 /nfs/dbraw/zinc/53/94/97/411539497.db2.gz PNUODUMWPAIXIX-HOTGVXAUSA-N 2 2 244.382 2.793 20 0 BFADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000657522178 411540385 /nfs/dbraw/zinc/54/03/85/411540385.db2.gz BFJFYMYKKRRWGT-HNNXBMFYSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1 ZINC000657522178 411540387 /nfs/dbraw/zinc/54/03/87/411540387.db2.gz BFJFYMYKKRRWGT-HNNXBMFYSA-N 2 2 246.398 2.957 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525661 411542936 /nfs/dbraw/zinc/54/29/36/411542936.db2.gz UYICNNTXFQCYHJ-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525661 411542938 /nfs/dbraw/zinc/54/29/38/411542938.db2.gz UYICNNTXFQCYHJ-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)[C@@H]1C ZINC000655848080 411535903 /nfs/dbraw/zinc/53/59/03/411535903.db2.gz ASHGATKPGAKZHR-ARILJUKYSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)[C@@H]1C ZINC000655848080 411535905 /nfs/dbraw/zinc/53/59/05/411535905.db2.gz ASHGATKPGAKZHR-ARILJUKYSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@H]1C ZINC000655851393 411538008 /nfs/dbraw/zinc/53/80/08/411538008.db2.gz UOSLSODXMPFGNN-GZBLMMOJSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1C[C@H]1C ZINC000655851393 411538010 /nfs/dbraw/zinc/53/80/10/411538010.db2.gz UOSLSODXMPFGNN-GZBLMMOJSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849378 411538270 /nfs/dbraw/zinc/53/82/70/411538270.db2.gz URMVHBXOIBFYBB-BARDWOONSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849378 411538273 /nfs/dbraw/zinc/53/82/73/411538273.db2.gz URMVHBXOIBFYBB-BARDWOONSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849715 411538355 /nfs/dbraw/zinc/53/83/55/411538355.db2.gz PMVUSSWSFZBBNR-LXTVHRRPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849715 411538357 /nfs/dbraw/zinc/53/83/57/411538357.db2.gz PMVUSSWSFZBBNR-LXTVHRRPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1CC1(C)C ZINC000657562420 411552041 /nfs/dbraw/zinc/55/20/41/411552041.db2.gz ICZWHLPAAZOJKV-RWMBFGLXSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1CC1(C)C ZINC000657562420 411552043 /nfs/dbraw/zinc/55/20/43/411552043.db2.gz ICZWHLPAAZOJKV-RWMBFGLXSA-N 2 2 238.419 2.883 20 0 BFADLP CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000293801339 170150408 /nfs/dbraw/zinc/15/04/08/170150408.db2.gz RECSTWKESOQOMA-DZGCQCFKSA-N 2 2 232.371 2.649 20 0 BFADLP CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000293801339 170150409 /nfs/dbraw/zinc/15/04/09/170150409.db2.gz RECSTWKESOQOMA-DZGCQCFKSA-N 2 2 232.371 2.649 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H]2C[C@H](C)C[C@H](C)C2)n1C ZINC000657590153 411556029 /nfs/dbraw/zinc/55/60/29/411556029.db2.gz WDEKVOLNZHDKSK-IMRBUKKESA-N 2 2 249.402 2.890 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@]34C[C@@H]3CCC4)c[nH+]c12 ZINC000657551513 411547673 /nfs/dbraw/zinc/54/76/73/411547673.db2.gz OFRSEGUUOJJRFC-WFASDCNBSA-N 2 2 241.338 2.675 20 0 BFADLP CC[C@H](C)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657587918 411557875 /nfs/dbraw/zinc/55/78/75/411557875.db2.gz ZYXMHJPEKGSBNY-LBPRGKRZSA-N 2 2 231.343 2.860 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]CCC(C)(C)F)n2c1 ZINC000657645137 411569026 /nfs/dbraw/zinc/56/90/26/411569026.db2.gz LMDRKXMCMMUPOW-UHFFFAOYSA-N 2 2 249.333 2.871 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C[N@@H+]1C1CC1 ZINC000657665066 411577088 /nfs/dbraw/zinc/57/70/88/411577088.db2.gz DDIZERLBMXTINS-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C[N@H+]1C1CC1 ZINC000657665066 411577091 /nfs/dbraw/zinc/57/70/91/411577091.db2.gz DDIZERLBMXTINS-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000657741240 411588605 /nfs/dbraw/zinc/58/86/05/411588605.db2.gz FTBDGFBUDUQGNC-LBPRGKRZSA-N 2 2 246.345 2.638 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000657741240 411588606 /nfs/dbraw/zinc/58/86/06/411588606.db2.gz FTBDGFBUDUQGNC-LBPRGKRZSA-N 2 2 246.345 2.638 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657818327 411606164 /nfs/dbraw/zinc/60/61/64/411606164.db2.gz SGTOSAQZQAJDHU-SNVBAGLBSA-N 2 2 236.350 2.598 20 0 BFADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)C(C)(C)C(F)F ZINC000657818813 411606353 /nfs/dbraw/zinc/60/63/53/411606353.db2.gz UTCIWWXFHWNUHU-SNVBAGLBSA-N 2 2 245.317 2.543 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCCC1)C(C)(C)C(F)F ZINC000657831023 411608306 /nfs/dbraw/zinc/60/83/06/411608306.db2.gz PYXJTKCLNJKKPF-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[N@H+](C)C1CC1 ZINC000657871967 411614376 /nfs/dbraw/zinc/61/43/76/411614376.db2.gz LKBDZRZOHUJILW-ZJUUUORDSA-N 2 2 248.361 2.739 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C(F)F)[N@@H+](C)C1CC1 ZINC000657871967 411614378 /nfs/dbraw/zinc/61/43/78/411614378.db2.gz LKBDZRZOHUJILW-ZJUUUORDSA-N 2 2 248.361 2.739 20 0 BFADLP CC(C)c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663501156 411685712 /nfs/dbraw/zinc/68/57/12/411685712.db2.gz AYWIZAXSMOEVJJ-UHFFFAOYSA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@H+](CCn2cc[nH+]c2C)C1 ZINC000661859991 411907647 /nfs/dbraw/zinc/90/76/47/411907647.db2.gz NUQPHORXZMRRGV-TZMCWYRMSA-N 2 2 235.375 2.702 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000661859991 411907650 /nfs/dbraw/zinc/90/76/50/411907650.db2.gz NUQPHORXZMRRGV-TZMCWYRMSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000664142338 411869267 /nfs/dbraw/zinc/86/92/67/411869267.db2.gz IRSUUKFPITWKFL-GFCCVEGCSA-N 2 2 233.359 2.675 20 0 BFADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000664142338 411869271 /nfs/dbraw/zinc/86/92/71/411869271.db2.gz IRSUUKFPITWKFL-GFCCVEGCSA-N 2 2 233.359 2.675 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000154537950 170900456 /nfs/dbraw/zinc/90/04/56/170900456.db2.gz AEJDDXZYWXMMAP-HUUCEWRRSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000154537950 170900457 /nfs/dbraw/zinc/90/04/57/170900457.db2.gz AEJDDXZYWXMMAP-HUUCEWRRSA-N 2 2 232.371 2.822 20 0 BFADLP CC(C)c1cccc(C[N@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000662247735 412045213 /nfs/dbraw/zinc/04/52/13/412045213.db2.gz ZNWQMVOTAGYNMF-HNNXBMFYSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1cccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)c1 ZINC000662247735 412045214 /nfs/dbraw/zinc/04/52/14/412045214.db2.gz ZNWQMVOTAGYNMF-HNNXBMFYSA-N 2 2 232.371 2.604 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CCc1cc[nH+]cc1C ZINC000309937022 171042477 /nfs/dbraw/zinc/04/24/77/171042477.db2.gz AGQGIPVMTPPFTN-OCCSQVGLSA-N 2 2 218.344 2.711 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000336747750 171043122 /nfs/dbraw/zinc/04/31/22/171043122.db2.gz XOTYYNMYDDODPZ-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000309453793 171043687 /nfs/dbraw/zinc/04/36/87/171043687.db2.gz LVKUUFCWUAPVPX-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000309708631 171049534 /nfs/dbraw/zinc/04/95/34/171049534.db2.gz PRYQDVGBXVBURV-REWJHTLYSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000309440041 171284635 /nfs/dbraw/zinc/28/46/35/171284635.db2.gz IHMLDVDOKYKZBD-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000309440041 171284638 /nfs/dbraw/zinc/28/46/38/171284638.db2.gz IHMLDVDOKYKZBD-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)C[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186749 171284758 /nfs/dbraw/zinc/28/47/58/171284758.db2.gz CEFAANPJUJHUMA-LBPRGKRZSA-N 2 2 245.370 2.980 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]CC[NH+]1CCCC1 ZINC000020126996 171299607 /nfs/dbraw/zinc/29/96/07/171299607.db2.gz WHJXXLDUXSORPA-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000118975797 171340944 /nfs/dbraw/zinc/34/09/44/171340944.db2.gz BKFBWFRAPBSKKR-ZFWWWQNUSA-N 2 2 234.387 2.986 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c1 ZINC000665245478 412185292 /nfs/dbraw/zinc/18/52/92/412185292.db2.gz KFCAPIANTMKLJG-HIFRSBDPSA-N 2 2 232.371 2.534 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)o1 ZINC000665248916 412194700 /nfs/dbraw/zinc/19/47/00/412194700.db2.gz FVRXGTXUTRMZIK-LLVKDONJSA-N 2 2 236.359 2.764 20 0 BFADLP CCC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1ccccc1 ZINC000665294238 412239453 /nfs/dbraw/zinc/23/94/53/412239453.db2.gz KXMOUZOTURCJKU-TZMCWYRMSA-N 2 2 220.360 2.725 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(C)cc1 ZINC000665293961 412239755 /nfs/dbraw/zinc/23/97/55/412239755.db2.gz GEAFWMOORDBHDG-JSGCOSHPSA-N 2 2 220.360 2.644 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000665295665 412241169 /nfs/dbraw/zinc/24/11/69/412241169.db2.gz HLGYQYZFBYOVID-ZFWWWQNUSA-N 2 2 234.387 2.971 20 0 BFADLP CCc1ccc([C@H](CC)[NH2+][C@@H](C)C[NH2+]C)cc1 ZINC000665296572 412242859 /nfs/dbraw/zinc/24/28/59/412242859.db2.gz UUQXRFCNIUZZHO-WFASDCNBSA-N 2 2 234.387 2.898 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000665296101 412243215 /nfs/dbraw/zinc/24/32/15/412243215.db2.gz MTUDVUKCNFRJAV-FZMZJTMJSA-N 2 2 232.371 2.607 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc(C)c1 ZINC000665298247 412246125 /nfs/dbraw/zinc/24/61/25/412246125.db2.gz UQHMNPPSQPOLMV-GXTWGEPZSA-N 2 2 220.360 2.644 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337988370 172396039 /nfs/dbraw/zinc/39/60/39/172396039.db2.gz WOMFMKVMXDQGGM-QWHCGFSZSA-N 2 2 244.398 2.835 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000336782267 172398246 /nfs/dbraw/zinc/39/82/46/172398246.db2.gz XCRTULFRHNRFAE-RYUDHWBXSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000328168441 487625599 /nfs/dbraw/zinc/62/55/99/487625599.db2.gz JNPUBRPBFGTJFF-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC000328168441 487625601 /nfs/dbraw/zinc/62/56/01/487625601.db2.gz JNPUBRPBFGTJFF-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000328097379 173056406 /nfs/dbraw/zinc/05/64/06/173056406.db2.gz KCCQUZCAHOILKF-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC12CCCC2 ZINC000328097379 173056409 /nfs/dbraw/zinc/05/64/09/173056409.db2.gz KCCQUZCAHOILKF-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000049530888 173324359 /nfs/dbraw/zinc/32/43/59/173324359.db2.gz IOUGXQISJWRTOT-LLVKDONJSA-N 2 2 236.334 2.571 20 0 BFADLP C[NH2+]CCC[N@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000124760369 173345688 /nfs/dbraw/zinc/34/56/88/173345688.db2.gz OAGVTJMSXVGKNI-JTQLQIEISA-N 2 2 242.313 2.567 20 0 BFADLP C[NH2+]CCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1F ZINC000124760369 173345689 /nfs/dbraw/zinc/34/56/89/173345689.db2.gz OAGVTJMSXVGKNI-JTQLQIEISA-N 2 2 242.313 2.567 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000053201470 173461484 /nfs/dbraw/zinc/46/14/84/173461484.db2.gz WDSAFEQATZIWCD-HNNXBMFYSA-N 2 2 246.398 2.796 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000053201470 173461485 /nfs/dbraw/zinc/46/14/85/173461485.db2.gz WDSAFEQATZIWCD-HNNXBMFYSA-N 2 2 246.398 2.796 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062018894 176016863 /nfs/dbraw/zinc/01/68/63/176016863.db2.gz SOPAZODCLDQGOL-ZJUUUORDSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062018894 176016864 /nfs/dbraw/zinc/01/68/64/176016864.db2.gz SOPAZODCLDQGOL-ZJUUUORDSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@@H](c1ccco1)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000162846924 176032690 /nfs/dbraw/zinc/03/26/90/176032690.db2.gz QTPQNDBLPAANDP-LBPRGKRZSA-N 2 2 245.326 2.702 20 0 BFADLP C[C@@H](c1ccco1)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000162846924 176032692 /nfs/dbraw/zinc/03/26/92/176032692.db2.gz QTPQNDBLPAANDP-LBPRGKRZSA-N 2 2 245.326 2.702 20 0 BFADLP C[C@H](C[NH2+]C1C[C@@H](C)C[C@H](C)C1)Cn1cc[nH+]c1 ZINC000127360627 176055232 /nfs/dbraw/zinc/05/52/32/176055232.db2.gz YURCXDIRLKORHC-MELADBBJSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CCCCC2)C1 ZINC000053341530 176097987 /nfs/dbraw/zinc/09/79/87/176097987.db2.gz YTMAUMPNVTWTAS-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CCCCC2)C1 ZINC000053341530 176097989 /nfs/dbraw/zinc/09/79/89/176097989.db2.gz YTMAUMPNVTWTAS-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000263739888 176173878 /nfs/dbraw/zinc/17/38/78/176173878.db2.gz RGGVBRZWHWTTGM-CYBMUJFWSA-N 2 2 241.338 2.714 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000263739888 176173880 /nfs/dbraw/zinc/17/38/80/176173880.db2.gz RGGVBRZWHWTTGM-CYBMUJFWSA-N 2 2 241.338 2.714 20 0 BFADLP C[C@H](c1ccc2ccccc2c1)[N@H+](C)CC[NH3+] ZINC000054416744 177035721 /nfs/dbraw/zinc/03/57/21/177035721.db2.gz DBUBMJRKBDFUNZ-GFCCVEGCSA-N 2 2 228.339 2.791 20 0 BFADLP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)CC[NH3+] ZINC000054416744 177035722 /nfs/dbraw/zinc/03/57/22/177035722.db2.gz DBUBMJRKBDFUNZ-GFCCVEGCSA-N 2 2 228.339 2.791 20 0 BFADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccco1 ZINC000019912954 177074490 /nfs/dbraw/zinc/07/44/90/177074490.db2.gz NAZPILAPZXYYOD-ZDUSSCGKSA-N 2 2 236.359 2.634 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccco1 ZINC000019912954 177074489 /nfs/dbraw/zinc/07/44/89/177074489.db2.gz NAZPILAPZXYYOD-ZDUSSCGKSA-N 2 2 236.359 2.634 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCCCC1 ZINC000053341501 177075400 /nfs/dbraw/zinc/07/54/00/177075400.db2.gz DURNQSRXVYQWQA-ZDUSSCGKSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CCCCC1 ZINC000053341501 177075401 /nfs/dbraw/zinc/07/54/01/177075401.db2.gz DURNQSRXVYQWQA-ZDUSSCGKSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccoc1 ZINC000062103441 177075462 /nfs/dbraw/zinc/07/54/62/177075462.db2.gz RQVXTQORGNUAFE-ZDUSSCGKSA-N 2 2 236.359 2.634 20 0 BFADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccoc1 ZINC000062103441 177075463 /nfs/dbraw/zinc/07/54/63/177075463.db2.gz RQVXTQORGNUAFE-ZDUSSCGKSA-N 2 2 236.359 2.634 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000119056089 177098398 /nfs/dbraw/zinc/09/83/98/177098398.db2.gz YWOILYAFTROBOP-GJZGRUSLSA-N 2 2 236.403 2.664 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+]C[C@H]2CC=CCC2)C1 ZINC000119056089 177098400 /nfs/dbraw/zinc/09/84/00/177098400.db2.gz YWOILYAFTROBOP-GJZGRUSLSA-N 2 2 236.403 2.664 20 0 BFADLP C[C@H]1CC[N@H+](CCCCF)C[C@@H]1n1cc[nH+]c1 ZINC000375714714 177160612 /nfs/dbraw/zinc/16/06/12/177160612.db2.gz QFJRMEXZCIIDPJ-STQMWFEESA-N 2 2 239.338 2.516 20 0 BFADLP C[C@H]1CC[N@@H+](CCCCF)C[C@@H]1n1cc[nH+]c1 ZINC000375714714 177160614 /nfs/dbraw/zinc/16/06/14/177160614.db2.gz QFJRMEXZCIIDPJ-STQMWFEESA-N 2 2 239.338 2.516 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H](C)[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000129231436 177205739 /nfs/dbraw/zinc/20/57/39/177205739.db2.gz IWTMIVVJWFOZCL-QPSCCSFWSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000309774683 177236140 /nfs/dbraw/zinc/23/61/40/177236140.db2.gz LJTPIOMOCIJUEF-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCC(C)(C)C ZINC000309774683 177236142 /nfs/dbraw/zinc/23/61/42/177236142.db2.gz LJTPIOMOCIJUEF-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1C[N@H+](Cc2cc(Cl)cs2)CC[C@H]1[NH3+] ZINC000251577699 177260957 /nfs/dbraw/zinc/26/09/57/177260957.db2.gz CGSQINOQWLWGRB-GZMMTYOYSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)CC[C@H]1[NH3+] ZINC000251577699 177260958 /nfs/dbraw/zinc/26/09/58/177260958.db2.gz CGSQINOQWLWGRB-GZMMTYOYSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@@H]1C ZINC000353250600 177333544 /nfs/dbraw/zinc/33/35/44/177333544.db2.gz PBYGXWHWIIIXDQ-MROQNXINSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@@H]1C ZINC000353250600 177333546 /nfs/dbraw/zinc/33/35/46/177333546.db2.gz PBYGXWHWIIIXDQ-MROQNXINSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)CC(C)(C)C1 ZINC000041063664 177370653 /nfs/dbraw/zinc/37/06/53/177370653.db2.gz WOWDUOXUDYGRIC-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000300308880 177370662 /nfs/dbraw/zinc/37/06/62/177370662.db2.gz LIACPSTZMRUOKK-RFGFWPKPSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000300308880 177370663 /nfs/dbraw/zinc/37/06/63/177370663.db2.gz LIACPSTZMRUOKK-RFGFWPKPSA-N 2 2 236.403 2.637 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](CC)C2CCC2)C1 ZINC000324721199 487641604 /nfs/dbraw/zinc/64/16/04/487641604.db2.gz YIBLKOCVXOCAKC-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](CC)C2CCC2)C1 ZINC000324721199 487641611 /nfs/dbraw/zinc/64/16/11/487641611.db2.gz YIBLKOCVXOCAKC-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)C1 ZINC000308607126 229235916 /nfs/dbraw/zinc/23/59/16/229235916.db2.gz HVPLKELGFPAFLH-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1CCCC[C@]1(C)[NH2+]CCCn1cc[nH+]c1 ZINC000308714431 229244654 /nfs/dbraw/zinc/24/46/54/229244654.db2.gz SXWCAPSEVQCYTE-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000308778199 487685954 /nfs/dbraw/zinc/68/59/54/487685954.db2.gz BIYZLVMEJUOICL-GFCCVEGCSA-N 2 2 214.397 2.598 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H](C)C(C)(C)C ZINC000308778199 487685958 /nfs/dbraw/zinc/68/59/58/487685958.db2.gz BIYZLVMEJUOICL-GFCCVEGCSA-N 2 2 214.397 2.598 20 0 BFADLP Cc1[nH+]cccc1Cn1c[nH+]c2c1CCCC2 ZINC000383993552 487686162 /nfs/dbraw/zinc/68/61/62/487686162.db2.gz GGNHPEOKBUQZHI-UHFFFAOYSA-N 2 2 227.311 2.514 20 0 BFADLP CC[C@@]1(C)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667645207 487689579 /nfs/dbraw/zinc/68/95/79/487689579.db2.gz IJKHDADFFCHZSM-HNNXBMFYSA-N 2 2 247.386 2.841 20 0 BFADLP CC[C@@]1(C)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667645207 487689584 /nfs/dbraw/zinc/68/95/84/487689584.db2.gz IJKHDADFFCHZSM-HNNXBMFYSA-N 2 2 247.386 2.841 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000328468990 487693806 /nfs/dbraw/zinc/69/38/06/487693806.db2.gz KLYGPIYDNSZWDS-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000328468990 487693809 /nfs/dbraw/zinc/69/38/09/487693809.db2.gz KLYGPIYDNSZWDS-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CC/C=C/CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681020605 487696938 /nfs/dbraw/zinc/69/69/38/487696938.db2.gz BPNQWKXINJZYCN-RDFMZFSFSA-N 2 2 233.359 2.876 20 0 BFADLP CC/C=C/CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681020605 487696944 /nfs/dbraw/zinc/69/69/44/487696944.db2.gz BPNQWKXINJZYCN-RDFMZFSFSA-N 2 2 233.359 2.876 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527862994 262885952 /nfs/dbraw/zinc/88/59/52/262885952.db2.gz POEUJSXRFFDTDW-MJBXVCDLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527862994 262885954 /nfs/dbraw/zinc/88/59/54/262885954.db2.gz POEUJSXRFFDTDW-MJBXVCDLSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)C(C[NH2+]CC1([NH+](C)C)CC1)C(C)C ZINC000397914071 262940773 /nfs/dbraw/zinc/94/07/73/262940773.db2.gz HLTUMPOSASLQHS-UHFFFAOYSA-N 2 2 226.408 2.598 20 0 BFADLP CC[C@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)CC1 ZINC000667655672 487700696 /nfs/dbraw/zinc/70/06/96/487700696.db2.gz NACYMIBLJWGMPF-ZDUSSCGKSA-N 2 2 247.386 2.841 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000328533673 487706641 /nfs/dbraw/zinc/70/66/41/487706641.db2.gz ZECNHNZFPGMZFP-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000328533673 487706649 /nfs/dbraw/zinc/70/66/49/487706649.db2.gz ZECNHNZFPGMZFP-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000668431950 487745389 /nfs/dbraw/zinc/74/53/89/487745389.db2.gz HZHSTOWOYMKALX-ZDUSSCGKSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000668431950 487745393 /nfs/dbraw/zinc/74/53/93/487745393.db2.gz HZHSTOWOYMKALX-ZDUSSCGKSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)CC[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000668432847 487746397 /nfs/dbraw/zinc/74/63/97/487746397.db2.gz ZHRUMUFZSLYBFE-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)(C)CC[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000668432847 487746401 /nfs/dbraw/zinc/74/64/01/487746401.db2.gz ZHRUMUFZSLYBFE-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675766329 487776125 /nfs/dbraw/zinc/77/61/25/487776125.db2.gz JCPYAMMLKHYAQY-XNRPHZJLSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675766329 487776129 /nfs/dbraw/zinc/77/61/29/487776129.db2.gz JCPYAMMLKHYAQY-XNRPHZJLSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675766327 487776311 /nfs/dbraw/zinc/77/63/11/487776311.db2.gz JCPYAMMLKHYAQY-INWMFGNUSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675766327 487776313 /nfs/dbraw/zinc/77/63/13/487776313.db2.gz JCPYAMMLKHYAQY-INWMFGNUSA-N 2 2 244.382 2.604 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000675801492 487780209 /nfs/dbraw/zinc/78/02/09/487780209.db2.gz JMVLKCSOABKKEJ-VHDGCEQUSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000675801492 487780211 /nfs/dbraw/zinc/78/02/11/487780211.db2.gz JMVLKCSOABKKEJ-VHDGCEQUSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668458629 487782490 /nfs/dbraw/zinc/78/24/90/487782490.db2.gz GVYNBWWUONSFAQ-ZIAGYGMSSA-N 2 2 236.403 2.948 20 0 BFADLP CC1=CC[C@@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668458629 487782496 /nfs/dbraw/zinc/78/24/96/487782496.db2.gz GVYNBWWUONSFAQ-ZIAGYGMSSA-N 2 2 236.403 2.948 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)CC(C)(C)C2)n1C ZINC000667969563 487785848 /nfs/dbraw/zinc/78/58/48/487785848.db2.gz NGWPNPMTBNFKOR-LLVKDONJSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)n1C ZINC000667969563 487785856 /nfs/dbraw/zinc/78/58/56/487785856.db2.gz NGWPNPMTBNFKOR-LLVKDONJSA-N 2 2 235.375 2.597 20 0 BFADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000514091147 487786873 /nfs/dbraw/zinc/78/68/73/487786873.db2.gz XTQRDTIHZZSLCL-HUUCEWRRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]C[C@H](Cc1ccccc1)[NH+](C)C)C1CC1 ZINC000359375494 487786934 /nfs/dbraw/zinc/78/69/34/487786934.db2.gz FKVRMAMADWHCHX-BBRMVZONSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000681489040 487805099 /nfs/dbraw/zinc/80/50/99/487805099.db2.gz UYFVFUQYMJAWAT-GDBMZVCRSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000681489040 487805102 /nfs/dbraw/zinc/80/51/02/487805102.db2.gz UYFVFUQYMJAWAT-GDBMZVCRSA-N 2 2 246.398 2.549 20 0 BFADLP CCCc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C2)cc1 ZINC000666467244 487814139 /nfs/dbraw/zinc/81/41/39/487814139.db2.gz MLYNBUIKICYZMK-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C2)cc1 ZINC000666467244 487814143 /nfs/dbraw/zinc/81/41/43/487814143.db2.gz MLYNBUIKICYZMK-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP Cc1cccc(N[C@H](c2[nH+]ccn2C)C2CC2)[nH+]1 ZINC000681563129 487816409 /nfs/dbraw/zinc/81/64/09/487816409.db2.gz LEVHGCMNRVDXFH-ZDUSSCGKSA-N 2 2 242.326 2.687 20 0 BFADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000668068135 487826212 /nfs/dbraw/zinc/82/62/12/487826212.db2.gz DTMRTJQXXFWZIV-DMRZNYOFSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CCCC[N@H+]1C1CC1 ZINC000668068135 487826217 /nfs/dbraw/zinc/82/62/17/487826217.db2.gz DTMRTJQXXFWZIV-DMRZNYOFSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000668068138 487826353 /nfs/dbraw/zinc/82/63/53/487826353.db2.gz DTMRTJQXXFWZIV-SYAUCNOPSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000668068138 487826357 /nfs/dbraw/zinc/82/63/57/487826357.db2.gz DTMRTJQXXFWZIV-SYAUCNOPSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681108321 487840338 /nfs/dbraw/zinc/84/03/38/487840338.db2.gz JYELAFOCCFGTAT-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000681108321 487840342 /nfs/dbraw/zinc/84/03/42/487840342.db2.gz JYELAFOCCFGTAT-IUODEOHRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000681108322 487840498 /nfs/dbraw/zinc/84/04/98/487840498.db2.gz JYELAFOCCFGTAT-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000681108322 487840502 /nfs/dbraw/zinc/84/05/02/487840502.db2.gz JYELAFOCCFGTAT-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000566090808 322956694 /nfs/dbraw/zinc/95/66/94/322956694.db2.gz CHKRWJOLQFHPMN-UHOFOFEASA-N 2 2 244.382 2.712 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000566090806 322956757 /nfs/dbraw/zinc/95/67/57/322956757.db2.gz CHKRWJOLQFHPMN-RCBQFDQVSA-N 2 2 244.382 2.712 20 0 BFADLP Cc1cccc(C)c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666768517 487875254 /nfs/dbraw/zinc/87/52/54/487875254.db2.gz IGFYCEXFTDUBIZ-AWEZNQCLSA-N 2 2 232.371 2.535 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000669846728 487879876 /nfs/dbraw/zinc/87/98/76/487879876.db2.gz PPGOPAVGTOULNR-RDBSUJKOSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCCF)C1 ZINC000669846728 487879883 /nfs/dbraw/zinc/87/98/83/487879883.db2.gz PPGOPAVGTOULNR-RDBSUJKOSA-N 2 2 242.382 2.589 20 0 BFADLP CCC[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072821 487894799 /nfs/dbraw/zinc/89/47/99/487894799.db2.gz KRURPAMPPBXFRS-OLZOCXBDSA-N 2 2 221.348 2.709 20 0 BFADLP CCC[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072821 487894803 /nfs/dbraw/zinc/89/48/03/487894803.db2.gz KRURPAMPPBXFRS-OLZOCXBDSA-N 2 2 221.348 2.709 20 0 BFADLP CCC[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072823 487894877 /nfs/dbraw/zinc/89/48/77/487894877.db2.gz KRURPAMPPBXFRS-STQMWFEESA-N 2 2 221.348 2.709 20 0 BFADLP CCC[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000682072823 487894880 /nfs/dbraw/zinc/89/48/80/487894880.db2.gz KRURPAMPPBXFRS-STQMWFEESA-N 2 2 221.348 2.709 20 0 BFADLP CC[C@H]1CCC[C@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539960 487905692 /nfs/dbraw/zinc/90/56/92/487905692.db2.gz RRPHHFXYWKDPAB-KBPBESRZSA-N 2 2 238.419 2.696 20 0 BFADLP CC[C@H]1CCC[C@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539960 487905698 /nfs/dbraw/zinc/90/56/98/487905698.db2.gz RRPHHFXYWKDPAB-KBPBESRZSA-N 2 2 238.419 2.696 20 0 BFADLP c1ccc(C2CC2)c(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000666992498 487923472 /nfs/dbraw/zinc/92/34/72/487923472.db2.gz KSNGLRYYHHSKMA-OAHLLOKOSA-N 2 2 244.382 2.796 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000235223802 487936503 /nfs/dbraw/zinc/93/65/03/487936503.db2.gz PWEDBSGSURAILG-HIFRSBDPSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000676872074 487938755 /nfs/dbraw/zinc/93/87/55/487938755.db2.gz KCEIVHWEIPZIOC-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000676872074 487938758 /nfs/dbraw/zinc/93/87/58/487938758.db2.gz KCEIVHWEIPZIOC-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000560469815 322988058 /nfs/dbraw/zinc/98/80/58/322988058.db2.gz QWBGYVYVLQURDI-HNNXBMFYSA-N 2 2 236.403 2.951 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000562426309 323019516 /nfs/dbraw/zinc/01/95/16/323019516.db2.gz LVEKFVPNQBRZOJ-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC000562426309 323019517 /nfs/dbraw/zinc/01/95/17/323019517.db2.gz LVEKFVPNQBRZOJ-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000562519766 323022645 /nfs/dbraw/zinc/02/26/45/323022645.db2.gz KOXBBAARDAHDOI-BFHYXJOUSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000562519766 323022646 /nfs/dbraw/zinc/02/26/46/323022646.db2.gz KOXBBAARDAHDOI-BFHYXJOUSA-N 2 2 236.403 2.639 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C)C(C)(C)CC ZINC000562564098 323024375 /nfs/dbraw/zinc/02/43/75/323024375.db2.gz SUSQEQKCGLNUAX-GFCCVEGCSA-N 2 2 214.397 2.743 20 0 BFADLP C([NH2+]C(C1CC1)C1CC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000562603333 323025338 /nfs/dbraw/zinc/02/53/38/323025338.db2.gz FWECALZZUXZQQR-OAHLLOKOSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+]C(C1CC1)C1CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000562603333 323025339 /nfs/dbraw/zinc/02/53/39/323025339.db2.gz FWECALZZUXZQQR-OAHLLOKOSA-N 2 2 248.414 2.782 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000572612335 323070433 /nfs/dbraw/zinc/07/04/33/323070433.db2.gz SPEHZOQUBZNSRQ-ZFWWWQNUSA-N 2 2 247.386 2.592 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000572612335 323070434 /nfs/dbraw/zinc/07/04/34/323070434.db2.gz SPEHZOQUBZNSRQ-ZFWWWQNUSA-N 2 2 247.386 2.592 20 0 BFADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C(C)(C)C ZINC000563260882 323107082 /nfs/dbraw/zinc/10/70/82/323107082.db2.gz AJMIDYNYEJLRFM-LLVKDONJSA-N 2 2 231.343 2.859 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000563348868 323119871 /nfs/dbraw/zinc/11/98/71/323119871.db2.gz CTBWPIPSKFLMOR-BETUJISGSA-N 2 2 235.375 2.616 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000563348868 323119872 /nfs/dbraw/zinc/11/98/72/323119872.db2.gz CTBWPIPSKFLMOR-BETUJISGSA-N 2 2 235.375 2.616 20 0 BFADLP C([NH2+][C@H]1CCCC12CC2)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000563442886 323126783 /nfs/dbraw/zinc/12/67/83/323126783.db2.gz BQAHRIVITYJEAW-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@H]1CCCC12CC2)[C@H]1CCCC[N@H+]1C1CC1 ZINC000563442886 323126784 /nfs/dbraw/zinc/12/67/84/323126784.db2.gz BQAHRIVITYJEAW-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000563642663 323133444 /nfs/dbraw/zinc/13/34/44/323133444.db2.gz YASPRGODFADZAE-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000563642663 323133445 /nfs/dbraw/zinc/13/34/45/323133445.db2.gz YASPRGODFADZAE-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CC3)C[N@@H+]1C1CC1 ZINC000571226289 323138836 /nfs/dbraw/zinc/13/88/36/323138836.db2.gz IQZRAZPFLSXJPV-MBNYWOFBSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC23CC3)C[N@H+]1C1CC1 ZINC000571226289 323138837 /nfs/dbraw/zinc/13/88/37/323138837.db2.gz IQZRAZPFLSXJPV-MBNYWOFBSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CC3)C[N@@H+]1C1CC1 ZINC000571226287 323138874 /nfs/dbraw/zinc/13/88/74/323138874.db2.gz IQZRAZPFLSXJPV-BZPMIXESSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC23CC3)C[N@H+]1C1CC1 ZINC000571226287 323138875 /nfs/dbraw/zinc/13/88/75/323138875.db2.gz IQZRAZPFLSXJPV-BZPMIXESSA-N 2 2 234.387 2.534 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000531951424 323157002 /nfs/dbraw/zinc/15/70/02/323157002.db2.gz SFQVEZRTBMMGLS-BBRMVZONSA-N 2 2 246.398 2.850 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000531951424 323157003 /nfs/dbraw/zinc/15/70/03/323157003.db2.gz SFQVEZRTBMMGLS-BBRMVZONSA-N 2 2 246.398 2.850 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000531970763 323160321 /nfs/dbraw/zinc/16/03/21/323160321.db2.gz GVDGTCOUPJISKT-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000531970763 323160322 /nfs/dbraw/zinc/16/03/22/323160322.db2.gz GVDGTCOUPJISKT-GJZGRUSLSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000531983922 323163872 /nfs/dbraw/zinc/16/38/72/323163872.db2.gz MRTGRNOKCOXYTI-GJZGRUSLSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1 ZINC000531983922 323163873 /nfs/dbraw/zinc/16/38/73/323163873.db2.gz MRTGRNOKCOXYTI-GJZGRUSLSA-N 2 2 246.398 2.987 20 0 BFADLP C(CC1CCCCC1)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395116051 323187613 /nfs/dbraw/zinc/18/76/13/323187613.db2.gz IZCFLLHDTALVSE-CABCVRRESA-N 2 2 236.403 2.641 20 0 BFADLP C(CC1CCCCC1)C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000395116051 323187614 /nfs/dbraw/zinc/18/76/14/323187614.db2.gz IZCFLLHDTALVSE-CABCVRRESA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CC[NH+](C)C ZINC000037184070 323191101 /nfs/dbraw/zinc/19/11/01/323191101.db2.gz QWAJSNRUEFLNGN-AWEZNQCLSA-N 2 2 248.414 2.894 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C(C)C ZINC000037240776 323197167 /nfs/dbraw/zinc/19/71/67/323197167.db2.gz UZNNGJLDVBSDMU-ZIAGYGMSSA-N 2 2 228.424 2.987 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530177135 323205264 /nfs/dbraw/zinc/20/52/64/323205264.db2.gz HCEVCEHDOXRPMV-HNNXBMFYSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000532231340 323210557 /nfs/dbraw/zinc/21/05/57/323210557.db2.gz OWBPGGYQZGJFPL-OFQRWUPVSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000532231340 323210560 /nfs/dbraw/zinc/21/05/60/323210560.db2.gz OWBPGGYQZGJFPL-OFQRWUPVSA-N 2 2 246.398 2.904 20 0 BFADLP c1cc2c(o1)CCC[C@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530214870 323216824 /nfs/dbraw/zinc/21/68/24/323216824.db2.gz DGRAIFKTHGPFFN-TZMCWYRMSA-N 2 2 246.354 2.531 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](CCCC2CCCCC2)C1 ZINC000395230152 323222378 /nfs/dbraw/zinc/22/23/78/323222378.db2.gz ZTZZCMSOVJPEBP-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](CCCC2CCCCC2)C1 ZINC000395230152 323222379 /nfs/dbraw/zinc/22/23/79/323222379.db2.gz ZTZZCMSOVJPEBP-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCC1CCCC1 ZINC000532531098 323274020 /nfs/dbraw/zinc/27/40/20/323274020.db2.gz LUNUDTNSUZWHEV-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCC1CCCC1 ZINC000532531098 323274023 /nfs/dbraw/zinc/27/40/23/323274023.db2.gz LUNUDTNSUZWHEV-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000532531535 323274300 /nfs/dbraw/zinc/27/43/00/323274300.db2.gz HVGHRKCUSUOJQP-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000532531535 323274303 /nfs/dbraw/zinc/27/43/03/323274303.db2.gz HVGHRKCUSUOJQP-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@@H]1C[C@@H]1C ZINC000572223540 323569701 /nfs/dbraw/zinc/56/97/01/323569701.db2.gz CGSGSAMJTLLKMI-YUTCNCBUSA-N 2 2 247.386 2.744 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527847279 323705269 /nfs/dbraw/zinc/70/52/69/323705269.db2.gz INKGXKWFMFHFTR-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)[C@H]1CC12CC2 ZINC000527850455 323706946 /nfs/dbraw/zinc/70/69/46/323706946.db2.gz SJIGUPPFXULIAW-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000123014820 324076377 /nfs/dbraw/zinc/07/63/77/324076377.db2.gz RYTQRLGJRBZZLM-SCRDCRAPSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000123014820 324076380 /nfs/dbraw/zinc/07/63/80/324076380.db2.gz RYTQRLGJRBZZLM-SCRDCRAPSA-N 2 2 236.403 2.780 20 0 BFADLP C/C(Cl)=C\C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000528392319 324219275 /nfs/dbraw/zinc/21/92/75/324219275.db2.gz BZGVWYAKJQXBKV-BIIKFXOESA-N 2 2 239.750 2.663 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(C)ccc1C ZINC000530223705 324542935 /nfs/dbraw/zinc/54/29/35/324542935.db2.gz PAKBMFHQWFVHIA-DZGCQCFKSA-N 2 2 232.371 2.706 20 0 BFADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000130226009 325026227 /nfs/dbraw/zinc/02/62/27/325026227.db2.gz NEPZUHLSADKEIM-HUUCEWRRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000542472444 325029555 /nfs/dbraw/zinc/02/95/55/325029555.db2.gz KKZUUCVDNQIGRA-KBXIAJHMSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000542472444 325029552 /nfs/dbraw/zinc/02/95/52/325029552.db2.gz KKZUUCVDNQIGRA-KBXIAJHMSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000542472441 325029693 /nfs/dbraw/zinc/02/96/93/325029693.db2.gz KKZUUCVDNQIGRA-BARDWOONSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000542472441 325029696 /nfs/dbraw/zinc/02/96/96/325029696.db2.gz KKZUUCVDNQIGRA-BARDWOONSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000543762292 325112539 /nfs/dbraw/zinc/11/25/39/325112539.db2.gz HQUPBODMGCQLCB-CBBWQLFWSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC000543762292 325112542 /nfs/dbraw/zinc/11/25/42/325112542.db2.gz HQUPBODMGCQLCB-CBBWQLFWSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CCCCn1cc[nH+]c1 ZINC000545279573 325205623 /nfs/dbraw/zinc/20/56/23/325205623.db2.gz JEIJAUMLQNCKHI-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000545920937 325247447 /nfs/dbraw/zinc/24/74/47/325247447.db2.gz PIIRTVAPZQFZMF-KBUPBQIOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)C1 ZINC000545920937 325247451 /nfs/dbraw/zinc/24/74/51/325247451.db2.gz PIIRTVAPZQFZMF-KBUPBQIOSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000552061751 325592907 /nfs/dbraw/zinc/59/29/07/325592907.db2.gz YTACCTVXFCLGMG-CABCVRRESA-N 2 2 232.371 2.957 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC000553002718 325673634 /nfs/dbraw/zinc/67/36/34/325673634.db2.gz GJZDHZZRKLTUIZ-HNNXBMFYSA-N 2 2 232.371 2.679 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000251316980 325675774 /nfs/dbraw/zinc/67/57/74/325675774.db2.gz LMXSWTQLFLXVQH-MELADBBJSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000569217316 326395440 /nfs/dbraw/zinc/39/54/40/326395440.db2.gz CUVJFSFYLPQGFI-QLFBSQMISA-N 2 2 230.355 2.711 20 0 BFADLP CCC[C@H](C)[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000682070917 487985692 /nfs/dbraw/zinc/98/56/92/487985692.db2.gz GPUWCJOJTVJDAX-NSHDSACASA-N 2 2 221.348 2.778 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]([C@@H](C)C(C)C)C2CC2)n1C ZINC000667470605 488015935 /nfs/dbraw/zinc/01/59/35/488015935.db2.gz DBNGGIWSYTWIID-NSHDSACASA-N 2 2 235.375 2.737 20 0 BFADLP Cc1[nH+]cc(C[N@H+]([C@@H](C)C(C)C)C2CC2)n1C ZINC000667470605 488015940 /nfs/dbraw/zinc/01/59/40/488015940.db2.gz DBNGGIWSYTWIID-NSHDSACASA-N 2 2 235.375 2.737 20 0 BFADLP CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1 ZINC000667472768 488018574 /nfs/dbraw/zinc/01/85/74/488018574.db2.gz ORPXKYLXUXHWHZ-UHFFFAOYSA-N 2 2 243.354 2.751 20 0 BFADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1ccccc1 ZINC000667472768 488018579 /nfs/dbraw/zinc/01/85/79/488018579.db2.gz ORPXKYLXUXHWHZ-UHFFFAOYSA-N 2 2 243.354 2.751 20 0 BFADLP Cc1[nH+]cc(C[NH+]2CCC(C(C)(C)C)CC2)n1C ZINC000667567210 488048809 /nfs/dbraw/zinc/04/88/09/488048809.db2.gz SGCUFUDLIMNXMB-UHFFFAOYSA-N 2 2 249.402 2.987 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H]2C(C)(C)C)n1C ZINC000667590052 488053895 /nfs/dbraw/zinc/05/38/95/488053895.db2.gz JYFNYVJKNPEYRX-ZDUSSCGKSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](CC(C)C)C2)n1C ZINC000667621603 488062037 /nfs/dbraw/zinc/06/20/37/488062037.db2.gz PNLWZYFBZNIDEI-CYBMUJFWSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](CC(C)C)C2)n1C ZINC000667621603 488062038 /nfs/dbraw/zinc/06/20/38/488062038.db2.gz PNLWZYFBZNIDEI-CYBMUJFWSA-N 2 2 235.375 2.597 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CC)C1 ZINC000388921651 488063174 /nfs/dbraw/zinc/06/31/74/488063174.db2.gz RUMCJZKNIGSHKL-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CC)C1 ZINC000388921651 488063178 /nfs/dbraw/zinc/06/31/78/488063178.db2.gz RUMCJZKNIGSHKL-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[NH+]2C3CCCC2CCC3)n1C ZINC000667670984 488082111 /nfs/dbraw/zinc/08/21/11/488082111.db2.gz DSNQBDYYHOZTQE-UHFFFAOYSA-N 2 2 233.359 2.636 20 0 BFADLP CCC[C@@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667673738 488083702 /nfs/dbraw/zinc/08/37/02/488083702.db2.gz LFPBSBHJFFJBLL-CYBMUJFWSA-N 2 2 235.375 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000389251240 488084663 /nfs/dbraw/zinc/08/46/63/488084663.db2.gz MTGJHTHNKFHACQ-FSNWXROXSA-N 2 2 244.382 2.774 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC000389251240 488084669 /nfs/dbraw/zinc/08/46/69/488084669.db2.gz MTGJHTHNKFHACQ-FSNWXROXSA-N 2 2 244.382 2.774 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000389407145 488094332 /nfs/dbraw/zinc/09/43/32/488094332.db2.gz QYPJNNWXNZIOJH-HNNXBMFYSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC000389407145 488094338 /nfs/dbraw/zinc/09/43/38/488094338.db2.gz QYPJNNWXNZIOJH-HNNXBMFYSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000389578235 488102394 /nfs/dbraw/zinc/10/23/94/488102394.db2.gz XLYRZRIIGCNDQZ-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000389578235 488102396 /nfs/dbraw/zinc/10/23/96/488102396.db2.gz XLYRZRIIGCNDQZ-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000668683558 488113359 /nfs/dbraw/zinc/11/33/59/488113359.db2.gz YCEIVMBKWPBXOC-UONOGXRCSA-N 2 2 222.376 2.559 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000668683558 488113362 /nfs/dbraw/zinc/11/33/62/488113362.db2.gz YCEIVMBKWPBXOC-UONOGXRCSA-N 2 2 222.376 2.559 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+]Cc1csc2ccccc12 ZINC000162130467 487539826 /nfs/dbraw/zinc/53/98/26/487539826.db2.gz PRZLZXWWHHQHNR-SNVBAGLBSA-N 2 2 234.368 2.599 20 0 BFADLP C[C@@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000685463088 487530480 /nfs/dbraw/zinc/53/04/80/487530480.db2.gz UXGBRMFTJVILCG-STQMWFEESA-N 2 2 249.402 2.892 20 0 BFADLP C[C@@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000685463088 487530483 /nfs/dbraw/zinc/53/04/83/487530483.db2.gz UXGBRMFTJVILCG-STQMWFEESA-N 2 2 249.402 2.892 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000304231338 487481497 /nfs/dbraw/zinc/48/14/97/487481497.db2.gz AUQXZQKDQDDSFX-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000304231338 487481502 /nfs/dbraw/zinc/48/15/02/487481502.db2.gz AUQXZQKDQDDSFX-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[NH+]1CCC(n2c[nH+]c3c2CCCC3)CC1 ZINC000671438940 487483744 /nfs/dbraw/zinc/48/37/44/487483744.db2.gz HBGRWWCNIOIRTJ-UHFFFAOYSA-N 2 2 247.386 2.807 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668227031 487487297 /nfs/dbraw/zinc/48/72/97/487487297.db2.gz ZUINWBXLKZIRBO-WCQYABFASA-N 2 2 235.375 2.739 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000668227031 487487302 /nfs/dbraw/zinc/48/73/02/487487302.db2.gz ZUINWBXLKZIRBO-WCQYABFASA-N 2 2 235.375 2.739 20 0 BFADLP Clc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000232104231 487510588 /nfs/dbraw/zinc/51/05/88/487510588.db2.gz VVIZXAWYYHQFGQ-CYBMUJFWSA-N 2 2 238.762 2.572 20 0 BFADLP CCC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)C1CCC1 ZINC000668237273 487519835 /nfs/dbraw/zinc/51/98/35/487519835.db2.gz JNPXAONFCNKIFT-AWEZNQCLSA-N 2 2 235.375 2.787 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000685423908 487519933 /nfs/dbraw/zinc/51/99/33/487519933.db2.gz BYMNHPOBYWFCGB-UKRRQHHQSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000685423908 487519935 /nfs/dbraw/zinc/51/99/35/487519935.db2.gz BYMNHPOBYWFCGB-UKRRQHHQSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000234036621 487757129 /nfs/dbraw/zinc/75/71/29/487757129.db2.gz QJUKEWLARRSNSS-GJZGRUSLSA-N 2 2 232.371 2.869 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)C[C@@H]2CC=CCC2)n1C ZINC000667970656 488171689 /nfs/dbraw/zinc/17/16/89/488171689.db2.gz PWAXEBWZVVVFQH-CYBMUJFWSA-N 2 2 233.359 2.517 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)C[C@@H]2CC=CCC2)n1C ZINC000667970656 488171695 /nfs/dbraw/zinc/17/16/95/488171695.db2.gz PWAXEBWZVVVFQH-CYBMUJFWSA-N 2 2 233.359 2.517 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)n1C ZINC000668047855 488195115 /nfs/dbraw/zinc/19/51/15/488195115.db2.gz NUKBMQJLBLTZMC-GRYCIOLGSA-N 2 2 235.375 2.595 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCC1 ZINC000322740151 488195763 /nfs/dbraw/zinc/19/57/63/488195763.db2.gz YARHAQWCHSJXRK-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000322740151 488195765 /nfs/dbraw/zinc/19/57/65/488195765.db2.gz YARHAQWCHSJXRK-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)n1C ZINC000668196761 488220706 /nfs/dbraw/zinc/22/07/06/488220706.db2.gz WAZOAIVKGHTCQS-KGLIPLIRSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)n1C ZINC000668196761 488220708 /nfs/dbraw/zinc/22/07/08/488220708.db2.gz WAZOAIVKGHTCQS-KGLIPLIRSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1ccoc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235303 488222566 /nfs/dbraw/zinc/22/25/66/488222566.db2.gz QLMMKHFWQUXCQW-CYBMUJFWSA-N 2 2 245.326 2.622 20 0 BFADLP Cc1ccoc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235303 488222568 /nfs/dbraw/zinc/22/25/68/488222568.db2.gz QLMMKHFWQUXCQW-CYBMUJFWSA-N 2 2 245.326 2.622 20 0 BFADLP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCC1CCC1 ZINC000398715479 488222730 /nfs/dbraw/zinc/22/27/30/488222730.db2.gz YTDJUEUUDIBFMX-MRXNPFEDSA-N 2 2 244.382 2.735 20 0 BFADLP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCC1CCC1 ZINC000398715479 488222733 /nfs/dbraw/zinc/22/27/33/488222733.db2.gz YTDJUEUUDIBFMX-MRXNPFEDSA-N 2 2 244.382 2.735 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2c[nH+]c[nH]2)[C@H]2CCCC[C@H]12 ZINC000684617693 488332735 /nfs/dbraw/zinc/33/27/35/488332735.db2.gz WBMPXOWRTTWLIB-BNOWGMLFSA-N 2 2 233.359 2.810 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2c[nH+]c[nH]2)[C@H]2CCCC[C@H]12 ZINC000684617693 488332737 /nfs/dbraw/zinc/33/27/37/488332737.db2.gz WBMPXOWRTTWLIB-BNOWGMLFSA-N 2 2 233.359 2.810 20 0 BFADLP [NH3+][C@H]1CCC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000146290856 490133047 /nfs/dbraw/zinc/13/30/47/490133047.db2.gz SMSJXLXYAQQDPL-QWHCGFSZSA-N 2 2 241.338 2.917 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000068986930 490138171 /nfs/dbraw/zinc/13/81/71/490138171.db2.gz NQPZJCWGIZSCSJ-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000068986930 490138176 /nfs/dbraw/zinc/13/81/76/490138176.db2.gz NQPZJCWGIZSCSJ-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CC[C@@H](C[N@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539813 490357719 /nfs/dbraw/zinc/35/77/19/490357719.db2.gz NFSYAHFMSKPSSR-HNNXBMFYSA-N 2 2 246.398 2.674 20 0 BFADLP CC[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539813 490357723 /nfs/dbraw/zinc/35/77/23/490357723.db2.gz NFSYAHFMSKPSSR-HNNXBMFYSA-N 2 2 246.398 2.674 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000130964142 490464989 /nfs/dbraw/zinc/46/49/89/490464989.db2.gz FJOSELOYDFVBDG-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000130964142 490464994 /nfs/dbraw/zinc/46/49/94/490464994.db2.gz FJOSELOYDFVBDG-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000300014628 490548777 /nfs/dbraw/zinc/54/87/77/490548777.db2.gz BAFVLBIWZRQYKX-QEJZJMRPSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000300014628 490548773 /nfs/dbraw/zinc/54/87/73/490548773.db2.gz BAFVLBIWZRQYKX-QEJZJMRPSA-N 2 2 236.403 2.663 20 0 BFADLP Cc1cc[nH+]c(N[C@@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000128125016 490572855 /nfs/dbraw/zinc/57/28/55/490572855.db2.gz MHXSRWQREYGIRW-CYBMUJFWSA-N 2 2 242.326 2.687 20 0 BFADLP Cc1cccn2cc(CC[NH2+]C3CCCC3)[nH+]c12 ZINC000080236712 490627623 /nfs/dbraw/zinc/62/76/23/490627623.db2.gz ZKUJECILJBYVHK-UHFFFAOYSA-N 2 2 243.354 2.717 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086889593 491065053 /nfs/dbraw/zinc/06/50/53/491065053.db2.gz DKUGIEDRGLBLCM-MGPQQGTHSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086889593 491065055 /nfs/dbraw/zinc/06/50/55/491065055.db2.gz DKUGIEDRGLBLCM-MGPQQGTHSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000088512802 491104099 /nfs/dbraw/zinc/10/40/99/491104099.db2.gz MYUHQQLCWNYVLX-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000134275920 491162876 /nfs/dbraw/zinc/16/28/76/491162876.db2.gz KCFZXFLUNMVTSU-OAHLLOKOSA-N 2 2 246.398 2.648 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000134275920 491162877 /nfs/dbraw/zinc/16/28/77/491162877.db2.gz KCFZXFLUNMVTSU-OAHLLOKOSA-N 2 2 246.398 2.648 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)[C@@H]1C ZINC000494926487 533950340 /nfs/dbraw/zinc/95/03/40/533950340.db2.gz XYWSWOPRCFSBDM-BZPMIXESSA-N 2 2 243.354 2.511 20 0 BFADLP CCC[C@H](C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000179902896 535608126 /nfs/dbraw/zinc/60/81/26/535608126.db2.gz JUPZPMQCWDWOHD-ZDUSSCGKSA-N 2 2 235.375 2.956 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000488418192 534029057 /nfs/dbraw/zinc/02/90/57/534029057.db2.gz MZXSFTFPTYREFP-OLZOCXBDSA-N 2 2 233.359 2.519 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC000084329937 536361208 /nfs/dbraw/zinc/36/12/08/536361208.db2.gz APVKWVGVWDBHFE-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](CC2CCCCCC2)C1 ZINC000084329937 536361209 /nfs/dbraw/zinc/36/12/09/536361209.db2.gz APVKWVGVWDBHFE-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000226013495 536375770 /nfs/dbraw/zinc/37/57/70/536375770.db2.gz BKKXYAXMBRCOSK-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C2CC2)c1 ZINC000226013495 536375773 /nfs/dbraw/zinc/37/57/73/536375773.db2.gz BKKXYAXMBRCOSK-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251964563 535009892 /nfs/dbraw/zinc/00/98/92/535009892.db2.gz XUFWAHPYLHPPAH-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC000251964563 535009897 /nfs/dbraw/zinc/00/98/97/535009897.db2.gz XUFWAHPYLHPPAH-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[N@H+](CC(C)(C)[NH3+])C1CCCC1 ZINC000087286720 535030355 /nfs/dbraw/zinc/03/03/55/535030355.db2.gz RFNFPQBDDFTXDO-UHFFFAOYSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[N@@H+](CC(C)(C)[NH3+])C1CCCC1 ZINC000087286720 535030360 /nfs/dbraw/zinc/03/03/60/535030360.db2.gz RFNFPQBDDFTXDO-UHFFFAOYSA-N 2 2 212.381 2.624 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000226019097 535252460 /nfs/dbraw/zinc/25/24/60/535252460.db2.gz SQCDIDITOWGHDX-QEJZJMRPSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000226019097 535252463 /nfs/dbraw/zinc/25/24/63/535252463.db2.gz SQCDIDITOWGHDX-QEJZJMRPSA-N 2 2 236.403 2.663 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000176102347 535513029 /nfs/dbraw/zinc/51/30/29/535513029.db2.gz SOMROOGJUZXOTO-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000176102347 535513036 /nfs/dbraw/zinc/51/30/36/535513036.db2.gz SOMROOGJUZXOTO-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000249821879 535543109 /nfs/dbraw/zinc/54/31/09/535543109.db2.gz LRLRHDYLPVDHNN-WDNDVIMCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000250310596 535582661 /nfs/dbraw/zinc/58/26/61/535582661.db2.gz LTNPCCXCYHEEKK-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000250310596 535582665 /nfs/dbraw/zinc/58/26/65/535582665.db2.gz LTNPCCXCYHEEKK-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000249309425 535942412 /nfs/dbraw/zinc/94/24/12/535942412.db2.gz LBDBBBJMSPBARC-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000348294200 536099523 /nfs/dbraw/zinc/09/95/23/536099523.db2.gz QGSQNECPTIDTTE-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000348294200 536099527 /nfs/dbraw/zinc/09/95/27/536099527.db2.gz QGSQNECPTIDTTE-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156312703 566476477 /nfs/dbraw/zinc/47/64/77/566476477.db2.gz QGRCFBZIRGKSKP-CYBMUJFWSA-N 2 2 245.370 2.963 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000853085471 588719220 /nfs/dbraw/zinc/71/92/20/588719220.db2.gz OCUIXCUWEZEHBK-HNNXBMFYSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000853085471 588719221 /nfs/dbraw/zinc/71/92/21/588719221.db2.gz OCUIXCUWEZEHBK-HNNXBMFYSA-N 2 2 232.371 2.604 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC000840889521 582959962 /nfs/dbraw/zinc/95/99/62/582959962.db2.gz NCATWQYDXHZVJT-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3cc(C)ccc32)C1 ZINC000840889521 582959964 /nfs/dbraw/zinc/95/99/64/582959964.db2.gz NCATWQYDXHZVJT-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP CCCSC[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000893326641 583101909 /nfs/dbraw/zinc/10/19/09/583101909.db2.gz RJAYXSPLTHUIBG-CYBMUJFWSA-N 2 2 244.448 2.594 20 0 BFADLP Cc1coc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000893994403 583267465 /nfs/dbraw/zinc/26/74/65/583267465.db2.gz LEKVDOSWYWQUJG-ZDUSSCGKSA-N 2 2 245.326 2.622 20 0 BFADLP Cc1coc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000893994403 583267468 /nfs/dbraw/zinc/26/74/68/583267468.db2.gz LEKVDOSWYWQUJG-ZDUSSCGKSA-N 2 2 245.326 2.622 20 0 BFADLP Fc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH]cn1)CCC2 ZINC000894613343 583494732 /nfs/dbraw/zinc/49/47/32/583494732.db2.gz AEIFDNVCGUMWMN-AWEZNQCLSA-N 2 2 245.301 2.716 20 0 BFADLP c1[nH]c(C[NH2+]C[C@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000894851033 583531724 /nfs/dbraw/zinc/53/17/24/583531724.db2.gz MQOSTDQUTULKPN-OAHLLOKOSA-N 2 2 241.338 2.693 20 0 BFADLP c1[nH]c(C[NH2+]CC[C@@H]2CCc3ccccc32)c[nH+]1 ZINC000894872023 583540362 /nfs/dbraw/zinc/54/03/62/583540362.db2.gz DOFOJVRTDQTIIE-ZDUSSCGKSA-N 2 2 241.338 2.619 20 0 BFADLP C[C@@H](CC[NH2+]Cc1cscc1Cl)[NH+](C)C ZINC000895297428 583641201 /nfs/dbraw/zinc/64/12/01/583641201.db2.gz VXAJIZJCHCWXIH-VIFPVBQESA-N 2 2 246.807 2.831 20 0 BFADLP CC[N@@H+]1CC[C@H]1C[NH2+]C1CC2(C1)CCCCC2 ZINC000895670086 583706416 /nfs/dbraw/zinc/70/64/16/583706416.db2.gz BPQORTLDNMVRAL-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CC[C@H]1C[NH2+]C1CC2(C1)CCCCC2 ZINC000895670086 583706417 /nfs/dbraw/zinc/70/64/17/583706417.db2.gz BPQORTLDNMVRAL-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[C@H](C)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000883250925 583765272 /nfs/dbraw/zinc/76/52/72/583765272.db2.gz VKPDIYOOLNVDMD-LBPRGKRZSA-N 2 2 235.375 2.745 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253597 583766931 /nfs/dbraw/zinc/76/69/31/583766931.db2.gz WPKVKGKMTNMUAY-WFASDCNBSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(CC2CC2)CC1 ZINC000883253597 583766933 /nfs/dbraw/zinc/76/69/33/583766933.db2.gz WPKVKGKMTNMUAY-WFASDCNBSA-N 2 2 248.414 2.639 20 0 BFADLP CN(C)c1cc[nH+]c(C[NH2+]CC2(C)CCCC2)c1 ZINC000896297349 583789248 /nfs/dbraw/zinc/78/92/48/583789248.db2.gz AOFYAXTVMSZDDX-UHFFFAOYSA-N 2 2 247.386 2.818 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@H+](C)[C@H]2C)cc1 ZINC000896555097 583811502 /nfs/dbraw/zinc/81/15/02/583811502.db2.gz YFIIOGRYXMPEOF-YCPHGPKFSA-N 2 2 246.398 2.781 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)cc1 ZINC000896555097 583811503 /nfs/dbraw/zinc/81/15/03/583811503.db2.gz YFIIOGRYXMPEOF-YCPHGPKFSA-N 2 2 246.398 2.781 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2CC2)C[N@@H+]1C1CC1 ZINC000897438673 583983966 /nfs/dbraw/zinc/98/39/66/583983966.db2.gz GVQXNPJEMVVBEW-WCQYABFASA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2CC2)C[N@H+]1C1CC1 ZINC000897438673 583983967 /nfs/dbraw/zinc/98/39/67/583983967.db2.gz GVQXNPJEMVVBEW-WCQYABFASA-N 2 2 236.403 2.637 20 0 BFADLP CCn1cc[nH+]c1CNc1ccc(C2CC2)c[nH+]1 ZINC000897711285 584042206 /nfs/dbraw/zinc/04/22/06/584042206.db2.gz BIZXKVQBIQYTIM-UHFFFAOYSA-N 2 2 242.326 2.788 20 0 BFADLP Cc1occc1C[NH+]1CCC([NH2+]C2CCC2)CC1 ZINC000897983091 584072294 /nfs/dbraw/zinc/07/22/94/584072294.db2.gz YIRDCGWKFVNOAX-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP c1[nH]c(C[NH2+]C[C@@H]2CCC=CCCC2)c[nH+]1 ZINC000898032011 584077442 /nfs/dbraw/zinc/07/74/42/584077442.db2.gz KQAFLDSCWGYDBV-GFCCVEGCSA-N 2 2 219.332 2.636 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC=CCCC2)n1C ZINC000898032655 584078240 /nfs/dbraw/zinc/07/82/40/584078240.db2.gz VZSRYTCHFGPSCE-AWEZNQCLSA-N 2 2 247.386 2.955 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000898223923 584102096 /nfs/dbraw/zinc/10/20/96/584102096.db2.gz JVYYWLAYEITYJP-QVHKTLOISA-N 2 2 234.387 2.556 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC=CC[C@H]2C)C[N@H+]1C1CC1 ZINC000898223923 584102097 /nfs/dbraw/zinc/10/20/97/584102097.db2.gz JVYYWLAYEITYJP-QVHKTLOISA-N 2 2 234.387 2.556 20 0 BFADLP CSCC(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000898305565 584109299 /nfs/dbraw/zinc/10/92/99/584109299.db2.gz IYCFCQIBMKMNJC-UHFFFAOYSA-N 2 2 249.383 2.566 20 0 BFADLP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)o1 ZINC000898308594 584109467 /nfs/dbraw/zinc/10/94/67/584109467.db2.gz ARHVSWDLNNDDSL-UHFFFAOYSA-N 2 2 238.375 2.608 20 0 BFADLP Cc1ccc(C[N@H+](C)CC(C)(C)C[NH+](C)C)o1 ZINC000898308594 584109468 /nfs/dbraw/zinc/10/94/68/584109468.db2.gz ARHVSWDLNNDDSL-UHFFFAOYSA-N 2 2 238.375 2.608 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858465395 588957707 /nfs/dbraw/zinc/95/77/07/588957707.db2.gz XYAAJLOMQMFPEV-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000858465395 588957709 /nfs/dbraw/zinc/95/77/09/588957709.db2.gz XYAAJLOMQMFPEV-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2(C)C(C)(C)C2(C)C)n1C ZINC000898413349 584131494 /nfs/dbraw/zinc/13/14/94/584131494.db2.gz VVUBHMYBXHQHNJ-UHFFFAOYSA-N 2 2 235.375 2.643 20 0 BFADLP Cc1ccc(N[C@@H]2CC[NH2+]CC(C)(C)C2)c[nH+]1 ZINC000902372778 584566650 /nfs/dbraw/zinc/56/66/50/584566650.db2.gz ZNIGKXULSJNUQU-GFCCVEGCSA-N 2 2 233.359 2.580 20 0 BFADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H]1C[C@@H]1C ZINC000902429888 584594645 /nfs/dbraw/zinc/59/46/45/584594645.db2.gz BATIUXBNTCQBBC-ORDIRQJYSA-N 2 2 244.382 2.635 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902434379 584596134 /nfs/dbraw/zinc/59/61/34/584596134.db2.gz OKERKHXEHLZWIH-HFBAOOFYSA-N 2 2 244.382 2.779 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CC1 ZINC000902438341 584597230 /nfs/dbraw/zinc/59/72/30/584597230.db2.gz MTAUEVINMAVALA-BZUAXINKSA-N 2 2 244.382 2.635 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902443120 584598205 /nfs/dbraw/zinc/59/82/05/584598205.db2.gz KDHLXWBTUFFJIH-MSQAHXEGSA-N 2 2 244.382 2.779 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)s1 ZINC000902444287 584598491 /nfs/dbraw/zinc/59/84/91/584598491.db2.gz GOYMLDSUWHIOAX-PWSUYJOCSA-N 2 2 238.400 2.705 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC2(C)C)c2ccccc21 ZINC000902445011 584598942 /nfs/dbraw/zinc/59/89/42/584598942.db2.gz PEIXWZFFRCHDEL-KCPJHIHWSA-N 2 2 244.382 2.823 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902446010 584598953 /nfs/dbraw/zinc/59/89/53/584598953.db2.gz NUMSCYTXFVIENY-MNOVXSKESA-N 2 2 238.400 2.705 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccs1 ZINC000902444492 584599019 /nfs/dbraw/zinc/59/90/19/584599019.db2.gz IDUGGJZOUSLPSE-JQWIXIFHSA-N 2 2 238.400 2.787 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902446009 584599098 /nfs/dbraw/zinc/59/90/98/584599098.db2.gz NUMSCYTXFVIENY-GHMZBOCLSA-N 2 2 238.400 2.705 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2C[NH2+]CC2(C)C)c2ccccc21 ZINC000902445007 584599108 /nfs/dbraw/zinc/59/91/08/584599108.db2.gz PEIXWZFFRCHDEL-DFBGVHRSSA-N 2 2 244.382 2.823 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1 ZINC000902473208 584601124 /nfs/dbraw/zinc/60/11/24/584601124.db2.gz UPAYLPVIMYFMRE-CBBWQLFWSA-N 2 2 248.345 2.759 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1 ZINC000902476175 584602661 /nfs/dbraw/zinc/60/26/61/584602661.db2.gz MWAGXKDVXVKPIQ-QXSJWSMHSA-N 2 2 244.382 2.866 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000902446683 584604049 /nfs/dbraw/zinc/60/40/49/584604049.db2.gz PWYWBBFVEPFCSP-GXTWGEPZSA-N 2 2 232.371 2.644 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000902479603 584604121 /nfs/dbraw/zinc/60/41/21/584604121.db2.gz ZNXGGHFPVNXEGD-LSDHHAIUSA-N 2 2 247.386 2.655 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000902479600 584604224 /nfs/dbraw/zinc/60/42/24/584604224.db2.gz ZNXGGHFPVNXEGD-CABCVRRESA-N 2 2 247.386 2.655 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448167 584604505 /nfs/dbraw/zinc/60/45/05/584604505.db2.gz DFYFDGMKUWRDCT-DFBGVHRSSA-N 2 2 244.382 2.508 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448168 584604678 /nfs/dbraw/zinc/60/46/78/584604678.db2.gz DFYFDGMKUWRDCT-KCPJHIHWSA-N 2 2 244.382 2.508 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902448057 584604798 /nfs/dbraw/zinc/60/47/98/584604798.db2.gz XLDLYJOVGKKJTH-TZMCWYRMSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000902447342 584604948 /nfs/dbraw/zinc/60/49/48/584604948.db2.gz SYHQPNKKIIJWAA-OCCSQVGLSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)c1 ZINC000902447343 584604974 /nfs/dbraw/zinc/60/49/74/584604974.db2.gz SYHQPNKKIIJWAA-TZMCWYRMSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cs1 ZINC000902464416 584613133 /nfs/dbraw/zinc/61/31/33/584613133.db2.gz CFJCLBXVTTXMKR-ZBAXXZLZSA-N 2 2 236.384 2.600 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000902465245 584613369 /nfs/dbraw/zinc/61/33/69/584613369.db2.gz DIYIGVJVCNTHCT-MSQAHXEGSA-N 2 2 244.382 2.793 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1 ZINC000902468503 584615741 /nfs/dbraw/zinc/61/57/41/584615741.db2.gz UPAYLPVIMYFMRE-GBJTYRQASA-N 2 2 248.345 2.759 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1F ZINC000902470685 584616592 /nfs/dbraw/zinc/61/65/92/584616592.db2.gz ZYWWMHVBKKLGFY-BSLXNSKLSA-N 2 2 248.345 2.759 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1C ZINC000902471717 584617122 /nfs/dbraw/zinc/61/71/22/584617122.db2.gz RJJAVRMJFRMFEI-WMHQRMGPSA-N 2 2 244.382 2.847 20 0 BFADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482674 584623857 /nfs/dbraw/zinc/62/38/57/584623857.db2.gz MSSJDTVLSXBUCX-OCCSQVGLSA-N 2 2 248.370 2.779 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000902483553 584624752 /nfs/dbraw/zinc/62/47/52/584624752.db2.gz RKVKEYBAPHJQCX-AAEUAGOBSA-N 2 2 238.400 2.931 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccsc1 ZINC000902483555 584624949 /nfs/dbraw/zinc/62/49/49/584624949.db2.gz RKVKEYBAPHJQCX-WCQYABFASA-N 2 2 238.400 2.931 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902796783 584674644 /nfs/dbraw/zinc/67/46/44/584674644.db2.gz QGHGYAJHGMYFTO-FZKCQIBNSA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902796783 584674646 /nfs/dbraw/zinc/67/46/46/584674646.db2.gz QGHGYAJHGMYFTO-FZKCQIBNSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902836750 584679190 /nfs/dbraw/zinc/67/91/90/584679190.db2.gz MJXRAAVHKJSRKL-JXFSHQFZSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902836750 584679191 /nfs/dbraw/zinc/67/91/91/584679191.db2.gz MJXRAAVHKJSRKL-JXFSHQFZSA-N 2 2 248.414 2.637 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000903055011 584721797 /nfs/dbraw/zinc/72/17/97/584721797.db2.gz VWWSXIGXRYRRJE-IHRRRGAJSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C2C[C@@H]3CCC[C@H]3C2)C1 ZINC000903055011 584721798 /nfs/dbraw/zinc/72/17/98/584721798.db2.gz VWWSXIGXRYRRJE-IHRRRGAJSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1C ZINC000903055338 584722012 /nfs/dbraw/zinc/72/20/12/584722012.db2.gz CBUVJUZAUGNNHX-LXTVHRRPSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCc2cn(C)c[nH+]2)[C@@H]1C ZINC000903184068 584733715 /nfs/dbraw/zinc/73/37/15/584733715.db2.gz SWZPGPLAEXTERY-QVHKTLOISA-N 2 2 249.402 2.623 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903198845 584734999 /nfs/dbraw/zinc/73/49/99/584734999.db2.gz PYJKDHOUUARORD-GJZGRUSLSA-N 2 2 247.386 2.672 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903301855 584744444 /nfs/dbraw/zinc/74/44/44/584744444.db2.gz WEKMVPYDSGAHMM-RZLSGREXSA-N 2 2 246.398 2.861 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903301855 584744445 /nfs/dbraw/zinc/74/44/45/584744445.db2.gz WEKMVPYDSGAHMM-RZLSGREXSA-N 2 2 246.398 2.861 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000903301543 584744769 /nfs/dbraw/zinc/74/47/69/584744769.db2.gz RQXHQZNTIALSJK-SQWLQELKSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000903301543 584744770 /nfs/dbraw/zinc/74/47/70/584744770.db2.gz RQXHQZNTIALSJK-SQWLQELKSA-N 2 2 246.398 2.608 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903301525 584744865 /nfs/dbraw/zinc/74/48/65/584744865.db2.gz RQQACFIOAYRICT-RFQIPJPRSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903301525 584744866 /nfs/dbraw/zinc/74/48/66/584744866.db2.gz RQQACFIOAYRICT-RFQIPJPRSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903302459 584745519 /nfs/dbraw/zinc/74/55/19/584745519.db2.gz AMRWLSWZSPBLRG-RCBQFDQVSA-N 2 2 244.382 2.665 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903302459 584745520 /nfs/dbraw/zinc/74/55/20/584745520.db2.gz AMRWLSWZSPBLRG-RCBQFDQVSA-N 2 2 244.382 2.665 20 0 BFADLP Fc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC000903429243 584761626 /nfs/dbraw/zinc/76/16/26/584761626.db2.gz AUDUNLCMRVMEIM-CABCVRRESA-N 2 2 248.345 2.715 20 0 BFADLP Fc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)cc1 ZINC000903429243 584761627 /nfs/dbraw/zinc/76/16/27/584761627.db2.gz AUDUNLCMRVMEIM-CABCVRRESA-N 2 2 248.345 2.715 20 0 BFADLP C(C1CCC1)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903464152 584767044 /nfs/dbraw/zinc/76/70/44/584767044.db2.gz BPGILJAEMHBZSI-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCC1)[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903464152 584767046 /nfs/dbraw/zinc/76/70/46/584767046.db2.gz BPGILJAEMHBZSI-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP CC1CC(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000903751230 584795641 /nfs/dbraw/zinc/79/56/41/584795641.db2.gz GIBSUGSDZNCTSE-NEXFUWMNSA-N 2 2 236.403 2.639 20 0 BFADLP CC1CC(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000903751230 584795643 /nfs/dbraw/zinc/79/56/43/584795643.db2.gz GIBSUGSDZNCTSE-NEXFUWMNSA-N 2 2 236.403 2.639 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2Cc1ccccc1F ZINC000903795074 584798947 /nfs/dbraw/zinc/79/89/47/584798947.db2.gz IGLUATUHRCRUQO-DZGCQCFKSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2Cc1ccccc1F ZINC000903795074 584798948 /nfs/dbraw/zinc/79/89/48/584798948.db2.gz IGLUATUHRCRUQO-DZGCQCFKSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2Cc1ccccc1F ZINC000903795076 584799306 /nfs/dbraw/zinc/79/93/06/584799306.db2.gz IGLUATUHRCRUQO-UKRRQHHQSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2Cc1ccccc1F ZINC000903795076 584799308 /nfs/dbraw/zinc/79/93/08/584799308.db2.gz IGLUATUHRCRUQO-UKRRQHHQSA-N 2 2 248.345 2.529 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000903778490 584799897 /nfs/dbraw/zinc/79/98/97/584799897.db2.gz NNUVUEXQNLNVFO-OCCSQVGLSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000903778490 584799898 /nfs/dbraw/zinc/79/98/98/584799898.db2.gz NNUVUEXQNLNVFO-OCCSQVGLSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000903778488 584799902 /nfs/dbraw/zinc/79/99/02/584799902.db2.gz NNUVUEXQNLNVFO-GXTWGEPZSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1C[C@H]([NH3+])C[C@@H]1C ZINC000903778488 584799903 /nfs/dbraw/zinc/79/99/03/584799903.db2.gz NNUVUEXQNLNVFO-GXTWGEPZSA-N 2 2 232.371 2.732 20 0 BFADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2Cc1cccc(F)c1 ZINC000903795653 584800747 /nfs/dbraw/zinc/80/07/47/584800747.db2.gz OETXOXYBMXQANH-HIFRSBDPSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2Cc1cccc(F)c1 ZINC000903795653 584800749 /nfs/dbraw/zinc/80/07/49/584800749.db2.gz OETXOXYBMXQANH-HIFRSBDPSA-N 2 2 248.345 2.529 20 0 BFADLP CCC(CC)C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000903819324 584803485 /nfs/dbraw/zinc/80/34/85/584803485.db2.gz GTSGZHLDEAOKAX-HUUCEWRRSA-N 2 2 232.371 2.637 20 0 BFADLP CC1(C)C[NH2+]C[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000903821684 584803828 /nfs/dbraw/zinc/80/38/28/584803828.db2.gz PMJUYFTUUSKAQR-HNNXBMFYSA-N 2 2 244.382 2.652 20 0 BFADLP Cc1cc(N[C@@H](C)C[C@H]2CCC[NH2+]2)c[nH+]c1C ZINC000903947708 584829506 /nfs/dbraw/zinc/82/95/06/584829506.db2.gz FVACEJDUKIGLLV-WCQYABFASA-N 2 2 233.359 2.641 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2cc(N)cc[nH+]2)C[C@@H](C)C1 ZINC000903951310 584830575 /nfs/dbraw/zinc/83/05/75/584830575.db2.gz VPOZIZPNKSSHQU-PJXYFTJBSA-N 2 2 233.359 2.578 20 0 BFADLP Nc1cc[nH+]c(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)c1 ZINC000903950438 584830583 /nfs/dbraw/zinc/83/05/83/584830583.db2.gz NVTQNYBEGQIXHY-CABCVRRESA-N 2 2 245.370 2.722 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950322 584830656 /nfs/dbraw/zinc/83/06/56/584830656.db2.gz MAQIDJGTGUXNKO-NSHDSACASA-N 2 2 221.348 2.578 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950993 584830733 /nfs/dbraw/zinc/83/07/33/584830733.db2.gz VDFVYGMCOZLVMZ-ZDUSSCGKSA-N 2 2 233.359 2.722 20 0 BFADLP CC1(C)CCC(C[NH2+]Cc2cc(N)cc[nH+]2)CC1 ZINC000903951526 584830806 /nfs/dbraw/zinc/83/08/06/584830806.db2.gz ZREIKSPRHMXBQX-UHFFFAOYSA-N 2 2 247.386 2.970 20 0 BFADLP C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903953692 584831296 /nfs/dbraw/zinc/83/12/96/584831296.db2.gz JBWFKUZPQWFEMS-NWDGAFQWSA-N 2 2 233.359 2.580 20 0 BFADLP c1cn2c(cccc2C[NH2+]CCC2CCC2)[nH+]1 ZINC000769687735 584969150 /nfs/dbraw/zinc/96/91/50/584969150.db2.gz AANMMDDBIYZRTQ-UHFFFAOYSA-N 2 2 229.327 2.614 20 0 BFADLP C[C@H]([NH2+]CC1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000742393626 585125637 /nfs/dbraw/zinc/12/56/37/585125637.db2.gz ZDVUHQMFYGYWSP-LBPRGKRZSA-N 2 2 241.338 2.933 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C1)CC1CCCCC1 ZINC000757845873 585345953 /nfs/dbraw/zinc/34/59/53/585345953.db2.gz CBEHGVZFIHGQPX-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C1)CC1CCCCC1 ZINC000757845873 585345954 /nfs/dbraw/zinc/34/59/54/585345954.db2.gz CBEHGVZFIHGQPX-HIFRSBDPSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000806143601 585465220 /nfs/dbraw/zinc/46/52/20/585465220.db2.gz VVYKPXNNPDGVFL-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000806143601 585465221 /nfs/dbraw/zinc/46/52/21/585465221.db2.gz VVYKPXNNPDGVFL-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@@H](C)c1ccccc1 ZINC000764618924 585469125 /nfs/dbraw/zinc/46/91/25/585469125.db2.gz SJRQIDGEXZELHM-HUUCEWRRSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCC1)[C@@H](C)c1ccccc1 ZINC000764618920 585469136 /nfs/dbraw/zinc/46/91/36/585469136.db2.gz SJRQIDGEXZELHM-CABCVRRESA-N 2 2 246.398 2.864 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000765333408 585484062 /nfs/dbraw/zinc/48/40/62/585484062.db2.gz UWVNNAKYWNXXEY-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000765333408 585484063 /nfs/dbraw/zinc/48/40/63/585484063.db2.gz UWVNNAKYWNXXEY-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1C ZINC000765772603 585492676 /nfs/dbraw/zinc/49/26/76/585492676.db2.gz WYFBJMMJSSAMQJ-KBPBESRZSA-N 2 2 232.371 2.658 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1C ZINC000765772603 585492677 /nfs/dbraw/zinc/49/26/77/585492677.db2.gz WYFBJMMJSSAMQJ-KBPBESRZSA-N 2 2 232.371 2.658 20 0 BFADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000766252284 585499965 /nfs/dbraw/zinc/49/99/65/585499965.db2.gz RJCQTIWRYOBUJV-UHFFFAOYSA-N 2 2 247.317 2.547 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccoc2)C[C@@H]1C ZINC000769469943 585558080 /nfs/dbraw/zinc/55/80/80/585558080.db2.gz ICXUMMYNSTVUCW-GXTWGEPZSA-N 2 2 236.359 2.584 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccoc2)C[C@@H]1C ZINC000769469943 585558081 /nfs/dbraw/zinc/55/80/81/585558081.db2.gz ICXUMMYNSTVUCW-GXTWGEPZSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccoc2)C[C@@H]1C ZINC000769469943 585558082 /nfs/dbraw/zinc/55/80/82/585558082.db2.gz ICXUMMYNSTVUCW-GXTWGEPZSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccoc2)C[C@@H]1C ZINC000769469943 585558083 /nfs/dbraw/zinc/55/80/83/585558083.db2.gz ICXUMMYNSTVUCW-GXTWGEPZSA-N 2 2 236.359 2.584 20 0 BFADLP Cc1ccc(NCc2cccc3[nH+]ccn32)[nH+]c1 ZINC000769686108 585561778 /nfs/dbraw/zinc/56/17/78/585561778.db2.gz UIPIKXBOTGNBHV-UHFFFAOYSA-N 2 2 238.294 2.650 20 0 BFADLP CC[C@@](C)([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000775387711 585677148 /nfs/dbraw/zinc/67/71/48/585677148.db2.gz LPHBFPMETFBFFM-OAHLLOKOSA-N 2 2 243.354 2.798 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CCCCCCC1)CC2 ZINC000779067269 585744633 /nfs/dbraw/zinc/74/46/33/585744633.db2.gz SSPQNXDWVSZKNS-AWEZNQCLSA-N 2 2 247.386 2.900 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@H]2CCC=CO2)c[nH+]1 ZINC000793152563 586011708 /nfs/dbraw/zinc/01/17/08/586011708.db2.gz ICTYMUWCTUVZKE-OAHLLOKOSA-N 2 2 246.354 2.605 20 0 BFADLP CC(C)([NH2+]Cc1c[nH+]c[nH]1)c1ccc(F)cc1 ZINC000796448026 586103415 /nfs/dbraw/zinc/10/34/15/586103415.db2.gz OQHNBJQWAAKOAF-UHFFFAOYSA-N 2 2 233.290 2.574 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)[NH+]1CCCCC1 ZINC000806132780 586404902 /nfs/dbraw/zinc/40/49/02/586404902.db2.gz ZZHUJCKCRFIDGM-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000815123472 586667727 /nfs/dbraw/zinc/66/77/27/586667727.db2.gz IXUTZZUVNZALAN-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC000815123472 586667729 /nfs/dbraw/zinc/66/77/29/586667729.db2.gz IXUTZZUVNZALAN-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1csc2ccccc12 ZINC000817901365 586836102 /nfs/dbraw/zinc/83/61/02/586836102.db2.gz ZPOGYZLDHCPYBV-MNOVXSKESA-N 2 2 246.379 2.914 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000817945786 586846222 /nfs/dbraw/zinc/84/62/22/586846222.db2.gz LWYFSTUXWBYNPG-GOEBONIOSA-N 2 2 244.382 2.714 20 0 BFADLP CC(C)n1c[nH+]cc1CNc1[nH+]ccn1C1CC1 ZINC000819146727 586933128 /nfs/dbraw/zinc/93/31/28/586933128.db2.gz JOEHIPFATAJUEL-UHFFFAOYSA-N 2 2 245.330 2.608 20 0 BFADLP C[C@@H]([NH2+]C1CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000821401198 587117130 /nfs/dbraw/zinc/11/71/30/587117130.db2.gz BTWVLPOUIIKEFK-LLVKDONJSA-N 2 2 227.311 2.685 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000824097632 587255388 /nfs/dbraw/zinc/25/53/88/587255388.db2.gz AVPOVNHVLJMFIL-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000824097632 587255390 /nfs/dbraw/zinc/25/53/90/587255390.db2.gz AVPOVNHVLJMFIL-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CCC1 ZINC000824098750 587255782 /nfs/dbraw/zinc/25/57/82/587255782.db2.gz NLOURHIECHFSGD-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CCC1 ZINC000824098750 587255783 /nfs/dbraw/zinc/25/57/83/587255783.db2.gz NLOURHIECHFSGD-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[NH+]2CCCCCCCC2)n1C ZINC000826074723 587350443 /nfs/dbraw/zinc/35/04/43/587350443.db2.gz HYGBQUZJFVGNIG-UHFFFAOYSA-N 2 2 235.375 2.885 20 0 BFADLP Cc1ccccc1C1([NH2+]CC[NH+]2CCCC2)CC1 ZINC000829489136 587500422 /nfs/dbraw/zinc/50/04/22/587500422.db2.gz CEMKZPUNCDLAEK-UHFFFAOYSA-N 2 2 244.382 2.670 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccncc1 ZINC000834606989 587760510 /nfs/dbraw/zinc/76/05/10/587760510.db2.gz MZWAOGXBRBYGCT-HIFRSBDPSA-N 2 2 247.386 2.607 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccncc1 ZINC000834606989 587760511 /nfs/dbraw/zinc/76/05/11/587760511.db2.gz MZWAOGXBRBYGCT-HIFRSBDPSA-N 2 2 247.386 2.607 20 0 BFADLP [NH3+]CCOc1ccc([NH2+]CC2CCCC2)cc1 ZINC000841055104 587940457 /nfs/dbraw/zinc/94/04/57/587940457.db2.gz QDAOWVYWMBZEGH-UHFFFAOYSA-N 2 2 234.343 2.626 20 0 BFADLP CCCCCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000841080570 587945026 /nfs/dbraw/zinc/94/50/26/587945026.db2.gz WAWKIQYDSILAEI-AVGNSLFASA-N 2 2 230.371 2.635 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1([NH+](C)C)CC1 ZINC000841764693 587975085 /nfs/dbraw/zinc/97/50/85/587975085.db2.gz YUDLUAAKXASYBV-HNNXBMFYSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc(CC(C)(C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000842168471 588005459 /nfs/dbraw/zinc/00/54/59/588005459.db2.gz WSPBCFCQJXOLTJ-UHFFFAOYSA-N 2 2 243.354 2.829 20 0 BFADLP [NH3+]CCOc1ccc([NH2+]CCCCCF)cc1 ZINC000843365556 588104228 /nfs/dbraw/zinc/10/42/28/588104228.db2.gz LRFWEBBAAYGPQG-UHFFFAOYSA-N 2 2 240.322 2.576 20 0 BFADLP CC(C)=CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848575003 588398942 /nfs/dbraw/zinc/39/89/42/588398942.db2.gz KPZJURRTUTUYMU-KBPBESRZSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)=CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000848575003 588398944 /nfs/dbraw/zinc/39/89/44/588398944.db2.gz KPZJURRTUTUYMU-KBPBESRZSA-N 2 2 222.376 2.559 20 0 BFADLP Cc1c[nH]c(CNc2cc(C3CC3)cc[nH+]2)[nH+]1 ZINC000850305203 588535736 /nfs/dbraw/zinc/53/57/36/588535736.db2.gz DWXVJLQZIKACPG-UHFFFAOYSA-N 2 2 228.299 2.603 20 0 BFADLP Cc1ccc[nH+]c1NCc1cn(C2CC2)c[nH+]1 ZINC000865422196 589434807 /nfs/dbraw/zinc/43/48/07/589434807.db2.gz PAJBVWDTGHDQNQ-UHFFFAOYSA-N 2 2 228.299 2.534 20 0 BFADLP Cc1ccc(NCc2cn(C3CC3)c[nH+]2)[nH+]c1 ZINC000865421807 589434814 /nfs/dbraw/zinc/43/48/14/589434814.db2.gz CVDHFAQSIBLSEA-UHFFFAOYSA-N 2 2 228.299 2.534 20 0 BFADLP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000866243039 589482461 /nfs/dbraw/zinc/48/24/61/589482461.db2.gz VQOKFMDLDRUXSU-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000866243039 589482462 /nfs/dbraw/zinc/48/24/62/589482462.db2.gz VQOKFMDLDRUXSU-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Fc1cccc(/C=C/C[NH2+]CC[NH+]2CCCC2)c1 ZINC000885900263 589498982 /nfs/dbraw/zinc/49/89/82/589498982.db2.gz XZPRTEXKDHYCLQ-GQCTYLIASA-N 2 2 248.345 2.524 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866721701 589515174 /nfs/dbraw/zinc/51/51/74/589515174.db2.gz OZMLSNWCUTUZIK-HOTGVXAUSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866721701 589515175 /nfs/dbraw/zinc/51/51/75/589515175.db2.gz OZMLSNWCUTUZIK-HOTGVXAUSA-N 2 2 244.382 2.630 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000866726438 589516297 /nfs/dbraw/zinc/51/62/97/589516297.db2.gz WRNSJIQMJXSVAU-JKSUJKDBSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC000866726438 589516299 /nfs/dbraw/zinc/51/62/99/589516299.db2.gz WRNSJIQMJXSVAU-JKSUJKDBSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1cccc(C)c1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866726631 589516471 /nfs/dbraw/zinc/51/64/71/589516471.db2.gz YGOZGQOITZEMBG-HZPDHXFCSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866726631 589516472 /nfs/dbraw/zinc/51/64/72/589516472.db2.gz YGOZGQOITZEMBG-HZPDHXFCSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)c(CO[NH+]=C(N)CC2CC2)c(C)[nH+]1 ZINC000871735391 589800983 /nfs/dbraw/zinc/80/09/83/589800983.db2.gz LEJCCVKJEJITEH-UHFFFAOYSA-N 2 2 247.342 2.805 20 0 BFADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)CC ZINC000872019012 589856702 /nfs/dbraw/zinc/85/67/02/589856702.db2.gz RTPIWGPHAMGTMF-LBPRGKRZSA-N 2 2 223.364 2.688 20 0 BFADLP CC[C@@H](CCC(F)(F)F)[NH2+]C[C@@H](C)[NH+](C)C ZINC000872034187 589858058 /nfs/dbraw/zinc/85/80/58/589858058.db2.gz MGJVHIXINYNSOJ-ZJUUUORDSA-N 2 2 240.313 2.647 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229947 590001805 /nfs/dbraw/zinc/00/18/05/590001805.db2.gz JFYZYVLTDMNHLE-JKSUJKDBSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1cccc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000873230048 590002165 /nfs/dbraw/zinc/00/21/65/590002165.db2.gz LIEDFWAVAWJANM-HZPDHXFCSA-N 2 2 244.382 2.678 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccoc1 ZINC000873236063 590003767 /nfs/dbraw/zinc/00/37/67/590003767.db2.gz WXDFPLCXALIGBN-WCQYABFASA-N 2 2 236.359 2.708 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccccn1 ZINC000873238128 590005631 /nfs/dbraw/zinc/00/56/31/590005631.db2.gz XPQUSCRTPFEESI-OLZOCXBDSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@H]([NH2+]C[C@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C ZINC000873292949 590023379 /nfs/dbraw/zinc/02/33/79/590023379.db2.gz GVMXSVRPZMIYIQ-SWLSCSKDSA-N 2 2 246.398 2.725 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000124778212 590084725 /nfs/dbraw/zinc/08/47/25/590084725.db2.gz RAEQHRGSYLFKET-LBPRGKRZSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+]C2CC(C)(C)CC(C)(C)C2)C1 ZINC000124778212 590084728 /nfs/dbraw/zinc/08/47/28/590084728.db2.gz RAEQHRGSYLFKET-LBPRGKRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CC[N@H+](C)C2)CC1 ZINC000877019947 590269956 /nfs/dbraw/zinc/26/99/56/590269956.db2.gz UZSRKAYHLAMKCD-ZNMIVQPWSA-N 2 2 236.403 2.805 20 0 BFADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)CC1 ZINC000877019947 590269957 /nfs/dbraw/zinc/26/99/57/590269957.db2.gz UZSRKAYHLAMKCD-ZNMIVQPWSA-N 2 2 236.403 2.805 20 0 BFADLP CC1(C[NH2+][C@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000877024539 590270295 /nfs/dbraw/zinc/27/02/95/590270295.db2.gz HDYOMFLMIKRQBE-AWEZNQCLSA-N 2 2 236.403 2.641 20 0 BFADLP CC1(C[NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CCCC1 ZINC000877024539 590270296 /nfs/dbraw/zinc/27/02/96/590270296.db2.gz HDYOMFLMIKRQBE-AWEZNQCLSA-N 2 2 236.403 2.641 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+](CCCC3CC3)C2)c[nH+]1 ZINC000878059769 590484430 /nfs/dbraw/zinc/48/44/30/590484430.db2.gz XASWTISCGCOKFC-CQSZACIVSA-N 2 2 233.359 2.710 20 0 BFADLP c1cn([C@@H]2CCC[N@H+](CCCC3CC3)C2)c[nH+]1 ZINC000878059769 590484431 /nfs/dbraw/zinc/48/44/31/590484431.db2.gz XASWTISCGCOKFC-CQSZACIVSA-N 2 2 233.359 2.710 20 0 BFADLP C=C/C=C\CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000878266845 590532058 /nfs/dbraw/zinc/53/20/58/590532058.db2.gz ISXVYSNNOPSSQT-ARJAWSKDSA-N 2 2 231.343 2.721 20 0 BFADLP C=C/C=C\CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000878527408 590586663 /nfs/dbraw/zinc/58/66/63/590586663.db2.gz CEPNIDDPWRLIPK-ABCZVMIZSA-N 2 2 244.338 2.667 20 0 BFADLP C=C/C=C\CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000878527408 590586664 /nfs/dbraw/zinc/58/66/64/590586664.db2.gz CEPNIDDPWRLIPK-ABCZVMIZSA-N 2 2 244.338 2.667 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCCC1CC1 ZINC000878614514 590596448 /nfs/dbraw/zinc/59/64/48/590596448.db2.gz BYZAOOMZEZEBPG-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCCC1CC1 ZINC000878614514 590596449 /nfs/dbraw/zinc/59/64/49/590596449.db2.gz BYZAOOMZEZEBPG-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC000880130355 590930732 /nfs/dbraw/zinc/93/07/32/590930732.db2.gz CXOWVJTVHLAGQC-CHWSQXEVSA-N 2 2 224.392 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC000880130355 590930735 /nfs/dbraw/zinc/93/07/35/590930735.db2.gz CXOWVJTVHLAGQC-CHWSQXEVSA-N 2 2 224.392 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC000880130355 590930736 /nfs/dbraw/zinc/93/07/36/590930736.db2.gz CXOWVJTVHLAGQC-CHWSQXEVSA-N 2 2 224.392 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC000880130355 590930737 /nfs/dbraw/zinc/93/07/37/590930737.db2.gz CXOWVJTVHLAGQC-CHWSQXEVSA-N 2 2 224.392 2.591 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)cc1 ZINC000880131001 590932032 /nfs/dbraw/zinc/93/20/32/590932032.db2.gz JADQTCPERRGUNX-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000880131001 590932036 /nfs/dbraw/zinc/93/20/36/590932036.db2.gz JADQTCPERRGUNX-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880131001 590932038 /nfs/dbraw/zinc/93/20/38/590932038.db2.gz JADQTCPERRGUNX-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)cc1 ZINC000880131001 590932041 /nfs/dbraw/zinc/93/20/41/590932041.db2.gz JADQTCPERRGUNX-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC000880133179 590935379 /nfs/dbraw/zinc/93/53/79/590935379.db2.gz ZXPGDKMUDOLWBO-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC000880133179 590935380 /nfs/dbraw/zinc/93/53/80/590935380.db2.gz ZXPGDKMUDOLWBO-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC000880133179 590935382 /nfs/dbraw/zinc/93/53/82/590935382.db2.gz ZXPGDKMUDOLWBO-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CC1CCCCC1 ZINC000880133179 590935383 /nfs/dbraw/zinc/93/53/83/590935383.db2.gz ZXPGDKMUDOLWBO-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880134174 590936205 /nfs/dbraw/zinc/93/62/05/590936205.db2.gz RRXGIMWPSQFOFZ-KGLIPLIRSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880134174 590936207 /nfs/dbraw/zinc/93/62/07/590936207.db2.gz RRXGIMWPSQFOFZ-KGLIPLIRSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880134174 590936211 /nfs/dbraw/zinc/93/62/11/590936211.db2.gz RRXGIMWPSQFOFZ-KGLIPLIRSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880134174 590936213 /nfs/dbraw/zinc/93/62/13/590936213.db2.gz RRXGIMWPSQFOFZ-KGLIPLIRSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880134175 590937181 /nfs/dbraw/zinc/93/71/81/590937181.db2.gz RRXGIMWPSQFOFZ-UONOGXRCSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880134175 590937185 /nfs/dbraw/zinc/93/71/85/590937185.db2.gz RRXGIMWPSQFOFZ-UONOGXRCSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880134175 590937188 /nfs/dbraw/zinc/93/71/88/590937188.db2.gz RRXGIMWPSQFOFZ-UONOGXRCSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880134175 590937192 /nfs/dbraw/zinc/93/71/92/590937192.db2.gz RRXGIMWPSQFOFZ-UONOGXRCSA-N 2 2 224.392 2.735 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC000880136171 590937354 /nfs/dbraw/zinc/93/73/54/590937354.db2.gz HFZIGVWATHLNMP-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC000880136171 590937356 /nfs/dbraw/zinc/93/73/56/590937356.db2.gz HFZIGVWATHLNMP-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C ZINC000880136171 590937359 /nfs/dbraw/zinc/93/73/59/590937359.db2.gz HFZIGVWATHLNMP-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCC(C)(C)C ZINC000880136171 590937360 /nfs/dbraw/zinc/93/73/60/590937360.db2.gz HFZIGVWATHLNMP-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H](C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)C(C)(C)C ZINC000880140219 590939028 /nfs/dbraw/zinc/93/90/28/590939028.db2.gz ADIHRFXLOASOBU-RDBSUJKOSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C)C(C)(C)C ZINC000880140219 590939030 /nfs/dbraw/zinc/93/90/30/590939030.db2.gz ADIHRFXLOASOBU-RDBSUJKOSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C)C(C)(C)C ZINC000880140219 590939032 /nfs/dbraw/zinc/93/90/32/590939032.db2.gz ADIHRFXLOASOBU-RDBSUJKOSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C)C(C)(C)C ZINC000880140219 590939034 /nfs/dbraw/zinc/93/90/34/590939034.db2.gz ADIHRFXLOASOBU-RDBSUJKOSA-N 2 2 238.419 2.837 20 0 BFADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129349259 591282767 /nfs/dbraw/zinc/28/27/67/591282767.db2.gz DAXLKQDYXAPLEO-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CC[C@@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129349259 591282771 /nfs/dbraw/zinc/28/27/71/591282771.db2.gz DAXLKQDYXAPLEO-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CCCCCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000130252965 591451560 /nfs/dbraw/zinc/45/15/60/591451560.db2.gz KNGOULHHXOZBQW-OLZOCXBDSA-N 2 2 214.397 2.885 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCC3(CC3)C1)CC2 ZINC000883217983 591576089 /nfs/dbraw/zinc/57/60/89/591576089.db2.gz SAOGZTXVNZSEGA-STQMWFEESA-N 2 2 245.370 2.510 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2(CC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000883249747 591590698 /nfs/dbraw/zinc/59/06/98/591590698.db2.gz PLEMZVDLHUBOOS-OCCSQVGLSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2(CC3CC3)CC2)C[N@H+]1C1CC1 ZINC000883249747 591590701 /nfs/dbraw/zinc/59/07/01/591590701.db2.gz PLEMZVDLHUBOOS-OCCSQVGLSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c[nH+]c1C ZINC000883342344 591621793 /nfs/dbraw/zinc/62/17/93/591621793.db2.gz TYCNJSCNPAKCFT-BXUZGUMPSA-N 2 2 245.370 2.736 20 0 BFADLP Cc1cc(N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c[nH+]c1C ZINC000883342344 591621797 /nfs/dbraw/zinc/62/17/97/591621797.db2.gz TYCNJSCNPAKCFT-BXUZGUMPSA-N 2 2 245.370 2.736 20 0 BFADLP Cc1cc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c[nH+]c1C ZINC000883342667 591622153 /nfs/dbraw/zinc/62/21/53/591622153.db2.gz HOJSXHIGNLGSPI-ZDUSSCGKSA-N 2 2 247.386 2.983 20 0 BFADLP Cc1cc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c[nH+]c1C ZINC000883342667 591622157 /nfs/dbraw/zinc/62/21/57/591622157.db2.gz HOJSXHIGNLGSPI-ZDUSSCGKSA-N 2 2 247.386 2.983 20 0 BFADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@H](C)CCC=C(C)C ZINC000883354468 591624910 /nfs/dbraw/zinc/62/49/10/591624910.db2.gz VRBGKSDSLUJSQE-ZIAGYGMSSA-N 2 2 224.392 2.805 20 0 BFADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@H](C)CCC=C(C)C ZINC000883354468 591624912 /nfs/dbraw/zinc/62/49/12/591624912.db2.gz VRBGKSDSLUJSQE-ZIAGYGMSSA-N 2 2 224.392 2.805 20 0 BFADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@H](C)Cc1ccccc1C ZINC000883355901 591626685 /nfs/dbraw/zinc/62/66/85/591626685.db2.gz ZWMXLVLRQOTDAJ-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP CC[N@H+]1CC[C@H]1C[NH2+][C@H](C)Cc1ccccc1C ZINC000883355901 591626688 /nfs/dbraw/zinc/62/66/88/591626688.db2.gz ZWMXLVLRQOTDAJ-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccc(N[C@@H]2C[C@H]([NH3+])c3ccccc32)c[nH+]1 ZINC000132203633 591693226 /nfs/dbraw/zinc/69/32/26/591693226.db2.gz TWXKBIOTLAOKJM-LSDHHAIUSA-N 2 2 239.322 2.947 20 0 BFADLP C[NH+](C)C1(C[NH2+]C/C=C\c2cccc(F)c2)CC1 ZINC000886147032 592162397 /nfs/dbraw/zinc/16/23/97/592162397.db2.gz HUKFBVCXAHIQRS-XQRVVYSFSA-N 2 2 248.345 2.523 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000886824824 592346508 /nfs/dbraw/zinc/34/65/08/592346508.db2.gz HOFMTEVDMMAZSY-DGCLKSJQSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2(C3CC3)CCC2)C[N@H+]1C1CC1 ZINC000886824824 592346511 /nfs/dbraw/zinc/34/65/11/592346511.db2.gz HOFMTEVDMMAZSY-DGCLKSJQSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CCCC1 ZINC000168419370 635399943 /nfs/dbraw/zinc/39/99/43/635399943.db2.gz NNDQGIBVHRDOAV-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CCCC1 ZINC000168419370 635399955 /nfs/dbraw/zinc/39/99/55/635399955.db2.gz NNDQGIBVHRDOAV-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000233459094 635535606 /nfs/dbraw/zinc/53/56/06/635535606.db2.gz BOEIURBBKKESMN-OLZOCXBDSA-N 2 2 244.448 2.592 20 0 BFADLP C(C1CCCC1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC000848715740 631776348 /nfs/dbraw/zinc/77/63/48/631776348.db2.gz KZTKXHWZFOWISQ-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCCC1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC000848715740 631776354 /nfs/dbraw/zinc/77/63/54/631776354.db2.gz KZTKXHWZFOWISQ-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000257747775 635747747 /nfs/dbraw/zinc/74/77/47/635747747.db2.gz ZZQGDWLVWQAKQN-INIZCTEOSA-N 2 2 244.382 2.713 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC000257747775 635747748 /nfs/dbraw/zinc/74/77/48/635747748.db2.gz ZZQGDWLVWQAKQN-INIZCTEOSA-N 2 2 244.382 2.713 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)[N@H+](C)C1CC1 ZINC000924965589 635813197 /nfs/dbraw/zinc/81/31/97/635813197.db2.gz ANZXNIMVDPAUIW-FZMZJTMJSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C1CC1)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000924965589 635813200 /nfs/dbraw/zinc/81/32/00/635813200.db2.gz ANZXNIMVDPAUIW-FZMZJTMJSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000235188908 632510147 /nfs/dbraw/zinc/51/01/47/632510147.db2.gz HCOKUUAWLSGFGE-KGLIPLIRSA-N 2 2 232.371 2.706 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C)CSC(C)(C)C ZINC000152807610 632807919 /nfs/dbraw/zinc/80/79/19/632807919.db2.gz KLBFZDZIPPUOER-LBPRGKRZSA-N 2 2 246.464 2.838 20 0 BFADLP C1=C(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000926717987 632866363 /nfs/dbraw/zinc/86/63/63/632866363.db2.gz XZBYFSUWGXNLMC-LSDHHAIUSA-N 2 2 234.387 2.703 20 0 BFADLP C1=C(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CCC1 ZINC000926717987 632866365 /nfs/dbraw/zinc/86/63/65/632866365.db2.gz XZBYFSUWGXNLMC-LSDHHAIUSA-N 2 2 234.387 2.703 20 0 BFADLP CC1CC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926735900 632921250 /nfs/dbraw/zinc/92/12/50/632921250.db2.gz CDLGCVDLNKOANP-WUCCLRPBSA-N 2 2 236.403 2.639 20 0 BFADLP CC1CC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926735900 632921253 /nfs/dbraw/zinc/92/12/53/632921253.db2.gz CDLGCVDLNKOANP-WUCCLRPBSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)[NH3+] ZINC000309464754 633103086 /nfs/dbraw/zinc/10/30/86/633103086.db2.gz VNCMAFJJNUCFFE-GXFFZTMASA-N 2 2 224.323 2.556 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000309464754 633103088 /nfs/dbraw/zinc/10/30/88/633103088.db2.gz VNCMAFJJNUCFFE-GXFFZTMASA-N 2 2 224.323 2.556 20 0 BFADLP C[N@H+](CC[NH3+])C1c2ccccc2-c2ccccc21 ZINC000054416726 633168949 /nfs/dbraw/zinc/16/89/49/633168949.db2.gz MAWBVKYYIDIEAQ-UHFFFAOYSA-N 2 2 238.334 2.647 20 0 BFADLP C[N@@H+](CC[NH3+])C1c2ccccc2-c2ccccc21 ZINC000054416726 633168955 /nfs/dbraw/zinc/16/89/55/633168955.db2.gz MAWBVKYYIDIEAQ-UHFFFAOYSA-N 2 2 238.334 2.647 20 0 BFADLP CC1([NH3+])CC[NH+](Cc2cc(Cl)cs2)CC1 ZINC000309744675 633235325 /nfs/dbraw/zinc/23/53/25/633235325.db2.gz FGJJFARMRXPYJZ-UHFFFAOYSA-N 2 2 244.791 2.715 20 0 BFADLP CC(C)CN(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110337 636060864 /nfs/dbraw/zinc/06/08/64/636060864.db2.gz IVKCJLJQGRMVPP-HDJSIYSDSA-N 2 2 247.386 2.814 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C ZINC000309463037 633922525 /nfs/dbraw/zinc/92/25/25/633922525.db2.gz OKIPLVFKVNOPLF-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C ZINC000309463037 633922530 /nfs/dbraw/zinc/92/25/30/633922530.db2.gz OKIPLVFKVNOPLF-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000309663777 633984653 /nfs/dbraw/zinc/98/46/53/633984653.db2.gz GWBVQJFMMCMWBL-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000309663777 633984658 /nfs/dbraw/zinc/98/46/58/633984658.db2.gz GWBVQJFMMCMWBL-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925605102 634133978 /nfs/dbraw/zinc/13/39/78/634133978.db2.gz PCZJACSTEQXETE-NMFUWQPSSA-N 2 2 232.371 2.853 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000053344183 634169350 /nfs/dbraw/zinc/16/93/50/634169350.db2.gz OSRJXVCPHBJZMH-ZDUSSCGKSA-N 2 2 214.397 2.741 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000053344183 634169355 /nfs/dbraw/zinc/16/93/55/634169355.db2.gz OSRJXVCPHBJZMH-ZDUSSCGKSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc[nH]1 ZINC000925642517 634190785 /nfs/dbraw/zinc/19/07/85/634190785.db2.gz AFYMTTDVVVIJEI-CFVMTHIKSA-N 2 2 247.386 2.682 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc[nH]1 ZINC000925642517 634190793 /nfs/dbraw/zinc/19/07/93/634190793.db2.gz AFYMTTDVVVIJEI-CFVMTHIKSA-N 2 2 247.386 2.682 20 0 BFADLP Cc1cc(N[C@H](C)c2c[nH+]ccc2N)c[nH+]c1C ZINC000925767940 635185231 /nfs/dbraw/zinc/18/52/31/635185231.db2.gz IAZTYHMXPIIAHK-LLVKDONJSA-N 2 2 242.326 2.679 20 0 BFADLP Cc1cc(N[C@@H](C)c2c[nH+]ccc2N)c[nH+]c1C ZINC000925767941 635186611 /nfs/dbraw/zinc/18/66/11/635186611.db2.gz IAZTYHMXPIIAHK-NSHDSACASA-N 2 2 242.326 2.679 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)CCc1ccc2ccccc2c1 ZINC000258683872 635188038 /nfs/dbraw/zinc/18/80/38/635188038.db2.gz FCZYKKFMVPDVCL-CYBMUJFWSA-N 2 2 242.366 2.661 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000258683872 635188041 /nfs/dbraw/zinc/18/80/41/635188041.db2.gz FCZYKKFMVPDVCL-CYBMUJFWSA-N 2 2 242.366 2.661 20 0 BFADLP CC(C)Cc1ccc(C[N@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000258825485 635208881 /nfs/dbraw/zinc/20/88/81/635208881.db2.gz UQYBHPAHZGNVKI-CYBMUJFWSA-N 2 2 234.387 2.664 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+](C)C[C@@H](C)[NH3+])cc1 ZINC000258825485 635208885 /nfs/dbraw/zinc/20/88/85/635208885.db2.gz UQYBHPAHZGNVKI-CYBMUJFWSA-N 2 2 234.387 2.664 20 0 BFADLP CCCC(CCC)[NH2+]CC[N@H+](C)C(C)C ZINC000054110654 635757428 /nfs/dbraw/zinc/75/74/28/635757428.db2.gz KZLAWZNWHHRDNQ-UHFFFAOYSA-N 2 2 214.397 2.885 20 0 BFADLP CCCC(CCC)[NH2+]CC[N@@H+](C)C(C)C ZINC000054110654 635757431 /nfs/dbraw/zinc/75/74/31/635757431.db2.gz KZLAWZNWHHRDNQ-UHFFFAOYSA-N 2 2 214.397 2.885 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883188873 636180219 /nfs/dbraw/zinc/18/02/19/636180219.db2.gz SCAIYRWEIGKMOH-LSDHHAIUSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000883188873 636180222 /nfs/dbraw/zinc/18/02/22/636180222.db2.gz SCAIYRWEIGKMOH-LSDHHAIUSA-N 2 2 248.414 2.783 20 0 BFADLP Cc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)s1 ZINC000067500702 636269860 /nfs/dbraw/zinc/26/98/60/636269860.db2.gz NTKXLLQVTLNCIK-LLVKDONJSA-N 2 2 249.383 2.679 20 0 BFADLP CC(C)c1ccc(C[NH+]2CCC[C@@H]2C[NH3+])cc1 ZINC000034957514 636276503 /nfs/dbraw/zinc/27/65/03/636276503.db2.gz AEBTWQHLLWGUGK-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)C[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771318 636941589 /nfs/dbraw/zinc/94/15/89/636941589.db2.gz XRKLPPHPYVXDSZ-AWEZNQCLSA-N 2 2 226.408 2.743 20 0 BFADLP C[NH2+]C[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC000042407811 637229807 /nfs/dbraw/zinc/22/98/07/637229807.db2.gz QHTCHNUVAAHBJB-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP C[NH2+]C[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1 ZINC000042407811 637229809 /nfs/dbraw/zinc/22/98/09/637229809.db2.gz QHTCHNUVAAHBJB-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[C@H](C)C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904462545 637406896 /nfs/dbraw/zinc/40/68/96/637406896.db2.gz VUAGPXLXFFNENE-NILFDRSVSA-N 2 2 232.371 2.637 20 0 BFADLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000904449026 637412605 /nfs/dbraw/zinc/41/26/05/637412605.db2.gz DFPLLTLWNDHYDY-UHFFFAOYSA-N 2 2 242.322 2.528 20 0 BFADLP Cc1[nH]c(C[NH+]2CCC3(CCC3)CC2)c(C)[nH+]1 ZINC000930464373 639764256 /nfs/dbraw/zinc/76/42/56/639764256.db2.gz PZTUYCZWAVGPRM-UHFFFAOYSA-N 2 2 233.359 2.793 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(F)F ZINC000931622533 640294682 /nfs/dbraw/zinc/29/46/82/640294682.db2.gz QWBJNGYSKUPVRX-NWDGAFQWSA-N 2 2 246.345 2.590 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(F)F ZINC000931622533 640294688 /nfs/dbraw/zinc/29/46/88/640294688.db2.gz QWBJNGYSKUPVRX-NWDGAFQWSA-N 2 2 246.345 2.590 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC(C)(F)F ZINC000931622533 640294693 /nfs/dbraw/zinc/29/46/93/640294693.db2.gz QWBJNGYSKUPVRX-NWDGAFQWSA-N 2 2 246.345 2.590 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC(C)(F)F ZINC000931622533 640294696 /nfs/dbraw/zinc/29/46/96/640294696.db2.gz QWBJNGYSKUPVRX-NWDGAFQWSA-N 2 2 246.345 2.590 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931727584 640343909 /nfs/dbraw/zinc/34/39/09/640343909.db2.gz UTTSSNHXQRZJOE-BMFZPTHFSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931727584 640343916 /nfs/dbraw/zinc/34/39/16/640343916.db2.gz UTTSSNHXQRZJOE-BMFZPTHFSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931727584 640343925 /nfs/dbraw/zinc/34/39/25/640343925.db2.gz UTTSSNHXQRZJOE-BMFZPTHFSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931727584 640343934 /nfs/dbraw/zinc/34/39/34/640343934.db2.gz UTTSSNHXQRZJOE-BMFZPTHFSA-N 2 2 244.382 2.916 20 0 BFADLP C[NH+](C/C=C/Cl)CC[C@@H]1CCCC[N@H+]1C ZINC000075860745 641773772 /nfs/dbraw/zinc/77/37/72/641773772.db2.gz LAWYCDHRZPAYLW-ZCRIDZFUSA-N 2 2 230.783 2.545 20 0 BFADLP C[NH+](C/C=C/Cl)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860745 641773768 /nfs/dbraw/zinc/77/37/68/641773768.db2.gz LAWYCDHRZPAYLW-ZCRIDZFUSA-N 2 2 230.783 2.545 20 0 BFADLP C[N@@H+](C/C=C/Cl)CC[C@@H]1CCCC[NH+]1C ZINC000075860745 641773754 /nfs/dbraw/zinc/77/37/54/641773754.db2.gz LAWYCDHRZPAYLW-ZCRIDZFUSA-N 2 2 230.783 2.545 20 0 BFADLP C[N@H+](C/C=C/Cl)CC[C@@H]1CCCC[NH+]1C ZINC000075860745 641773760 /nfs/dbraw/zinc/77/37/60/641773760.db2.gz LAWYCDHRZPAYLW-ZCRIDZFUSA-N 2 2 230.783 2.545 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC000049500983 643076638 /nfs/dbraw/zinc/07/66/38/643076638.db2.gz HCPIGGILJCFWGB-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000250337008 644754696 /nfs/dbraw/zinc/75/46/96/644754696.db2.gz PGPCSTWVZWZBID-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000250337008 644754701 /nfs/dbraw/zinc/75/47/01/644754701.db2.gz PGPCSTWVZWZBID-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1)[NH+](C)C ZINC000251085708 644792446 /nfs/dbraw/zinc/79/24/46/644792446.db2.gz JCMJTGFLOVZTOV-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]1C)[NH+]1CCCCC1 ZINC000252108123 644835158 /nfs/dbraw/zinc/83/51/58/644835158.db2.gz HIWDGGUTKFIODQ-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)=C1CC[C@@H](C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000924552434 646066235 /nfs/dbraw/zinc/06/62/35/646066235.db2.gz MBADSHBNTANYRI-UKRRQHHQSA-N 2 2 247.386 2.998 20 0 BFADLP CC(C)C(C(C)C)[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000924554111 646066468 /nfs/dbraw/zinc/06/64/68/646066468.db2.gz TWRLALXKPIAZFO-ZDUSSCGKSA-N 2 2 237.391 2.789 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000924903977 646128667 /nfs/dbraw/zinc/12/86/67/646128667.db2.gz MTBQVDMSUOBXOW-CYBMUJFWSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000924903977 646128668 /nfs/dbraw/zinc/12/86/68/646128668.db2.gz MTBQVDMSUOBXOW-CYBMUJFWSA-N 2 2 226.408 2.741 20 0 BFADLP C1=CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925436683 646281631 /nfs/dbraw/zinc/28/16/31/646281631.db2.gz GGONEYFTJYYVPT-SOUVJXGZSA-N 2 2 234.387 2.702 20 0 BFADLP C1=CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925436683 646281634 /nfs/dbraw/zinc/28/16/34/646281634.db2.gz GGONEYFTJYYVPT-SOUVJXGZSA-N 2 2 234.387 2.702 20 0 BFADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)C1(C2CC2)CC1 ZINC000925614823 646362136 /nfs/dbraw/zinc/36/21/36/646362136.db2.gz WXQAVDVNUKOOSL-LSDHHAIUSA-N 2 2 248.414 2.783 20 0 BFADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)C1(C2CC2)CC1 ZINC000925614823 646362140 /nfs/dbraw/zinc/36/21/40/646362140.db2.gz WXQAVDVNUKOOSL-LSDHHAIUSA-N 2 2 248.414 2.783 20 0 BFADLP CC(C)=CC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925657185 646393558 /nfs/dbraw/zinc/39/35/58/646393558.db2.gz JBVKLMSWKYHDOZ-GXTWGEPZSA-N 2 2 218.344 2.631 20 0 BFADLP CC/C=C/C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925679811 646406786 /nfs/dbraw/zinc/40/67/86/646406786.db2.gz FQLOVBSRFCOAJC-OWZHMFJBSA-N 2 2 218.344 2.631 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000925702694 646428009 /nfs/dbraw/zinc/42/80/09/646428009.db2.gz AMZWMCMIYXBGSY-CQSZACIVSA-N 2 2 244.338 2.663 20 0 BFADLP F[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000925725990 646452779 /nfs/dbraw/zinc/45/27/79/646452779.db2.gz OOSJXSQNRVFLOQ-FRRDWIJNSA-N 2 2 240.366 2.531 20 0 BFADLP Cc1cc(N[C@@H](C)[C@H]2CCCC[NH2+]2)c[nH+]c1C ZINC000925770992 646470401 /nfs/dbraw/zinc/47/04/01/646470401.db2.gz YOFKOEGOJWDTOO-GXTWGEPZSA-N 2 2 233.359 2.641 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783799 646479268 /nfs/dbraw/zinc/47/92/68/646479268.db2.gz OUZMBJXBNUTITA-RJZRQDKASA-N 2 2 244.382 2.741 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000925785154 646481539 /nfs/dbraw/zinc/48/15/39/646481539.db2.gz JKZWTEORVBXPCV-KCPJHIHWSA-N 2 2 244.382 2.607 20 0 BFADLP CC(C)(C)[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000926223763 646596733 /nfs/dbraw/zinc/59/67/33/646596733.db2.gz DMCIFGZJDZAYGU-OCCSQVGLSA-N 2 2 247.386 2.612 20 0 BFADLP CC(C)C1([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926489422 646658646 /nfs/dbraw/zinc/65/86/46/646658646.db2.gz ICJYRZHKWQXCBE-UONOGXRCSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C1([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926489422 646658649 /nfs/dbraw/zinc/65/86/49/646658649.db2.gz ICJYRZHKWQXCBE-UONOGXRCSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1CC[C@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000381514539 710650266 /nfs/dbraw/zinc/65/02/66/710650266.db2.gz RYTOGLUYDIZBQI-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCC2CC=CC2)C[N@@H+]1C1CC1 ZINC000724202202 711569642 /nfs/dbraw/zinc/56/96/42/711569642.db2.gz LFIMBDPHEKEHRT-JSGCOSHPSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCC2CC=CC2)C[N@H+]1C1CC1 ZINC000724202202 711569643 /nfs/dbraw/zinc/56/96/43/711569643.db2.gz LFIMBDPHEKEHRT-JSGCOSHPSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCC2CC=CC2)C[N@@H+]1C1CC1 ZINC000724202203 711569725 /nfs/dbraw/zinc/56/97/25/711569725.db2.gz LFIMBDPHEKEHRT-OCCSQVGLSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCC2CC=CC2)C[N@H+]1C1CC1 ZINC000724202203 711569728 /nfs/dbraw/zinc/56/97/28/711569728.db2.gz LFIMBDPHEKEHRT-OCCSQVGLSA-N 2 2 234.387 2.558 20 0 BFADLP Cc1cc(N[C@@H]2CCCC[C@@H]2C[NH3+])c[nH+]c1C ZINC000925770206 711742532 /nfs/dbraw/zinc/74/25/32/711742532.db2.gz UDRPJPPBFHLBLV-TZMCWYRMSA-N 2 2 233.359 2.628 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1CC=CCC1 ZINC000035258921 712172423 /nfs/dbraw/zinc/17/24/23/712172423.db2.gz LEKYEPVPUCQEEN-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP Fc1cccc(C[N@@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000713169403 712453576 /nfs/dbraw/zinc/45/35/76/712453576.db2.gz RGJLJEXJLMQIFH-UHFFFAOYSA-N 2 2 248.345 2.544 20 0 BFADLP Fc1cccc(C[N@H+]2CC[NH2+]CCC23CCC3)c1 ZINC000713169403 712453578 /nfs/dbraw/zinc/45/35/78/712453578.db2.gz RGJLJEXJLMQIFH-UHFFFAOYSA-N 2 2 248.345 2.544 20 0 BFADLP C=C/C=C\CC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000713746653 712470966 /nfs/dbraw/zinc/47/09/66/712470966.db2.gz FJHNBVCLLMHNSE-MYIWKSEUSA-N 2 2 242.366 2.545 20 0 BFADLP C=C/C=C\CC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000713746653 712470967 /nfs/dbraw/zinc/47/09/67/712470967.db2.gz FJHNBVCLLMHNSE-MYIWKSEUSA-N 2 2 242.366 2.545 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CC[C@@H]1CCCC1(F)F ZINC000713988106 712476648 /nfs/dbraw/zinc/47/66/48/712476648.db2.gz LLINDGOSCXLDGP-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP C[C@H]([NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C)C1CC1 ZINC000037156611 712549714 /nfs/dbraw/zinc/54/97/14/712549714.db2.gz SRNHEWYFTVWXKX-AAEUAGOBSA-N 2 2 235.375 2.686 20 0 BFADLP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000037213829 712553326 /nfs/dbraw/zinc/55/33/26/712553326.db2.gz WHJWFVMUVUASIW-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000037213829 712553327 /nfs/dbraw/zinc/55/33/27/712553327.db2.gz WHJWFVMUVUASIW-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H]1CCC(C)(C)C[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000717490074 712659964 /nfs/dbraw/zinc/65/99/64/712659964.db2.gz OSOFBSOKIFDYCL-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000720770053 712864542 /nfs/dbraw/zinc/86/45/42/712864542.db2.gz RKZBZPAXMMZKCA-TZMCWYRMSA-N 2 2 232.371 2.725 20 0 BFADLP Cc1cccc([C@@H](C)[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000720770053 712864544 /nfs/dbraw/zinc/86/45/44/712864544.db2.gz RKZBZPAXMMZKCA-TZMCWYRMSA-N 2 2 232.371 2.725 20 0 BFADLP CC[C@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720766683 712864715 /nfs/dbraw/zinc/86/47/15/712864715.db2.gz GVPNXGJMAJYSJE-KGLIPLIRSA-N 2 2 232.371 2.807 20 0 BFADLP CC[C@H](c1ccccc1)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720766683 712864716 /nfs/dbraw/zinc/86/47/16/712864716.db2.gz GVPNXGJMAJYSJE-KGLIPLIRSA-N 2 2 232.371 2.807 20 0 BFADLP CC1(C)C[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1[NH3+] ZINC000720825532 712868427 /nfs/dbraw/zinc/86/84/27/712868427.db2.gz KDOJHLXEMXYYGO-HNNXBMFYSA-N 2 2 244.382 2.733 20 0 BFADLP CC1(C)C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1[NH3+] ZINC000720825532 712868428 /nfs/dbraw/zinc/86/84/28/712868428.db2.gz KDOJHLXEMXYYGO-HNNXBMFYSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)N(CCC[NH3+])c1cccc(C2CC2)[nH+]1 ZINC001156124682 963262632 /nfs/dbraw/zinc/26/26/32/963262632.db2.gz QQCFRQHGVCYLGE-UHFFFAOYSA-N 2 2 233.359 2.523 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)cc(F)cc1C ZINC001236883907 966604749 /nfs/dbraw/zinc/60/47/49/966604749.db2.gz HSCKYGGYKUMADS-ZDUSSCGKSA-N 2 2 238.350 2.612 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)cc(F)cc1C ZINC001236883907 966604763 /nfs/dbraw/zinc/60/47/63/966604763.db2.gz HSCKYGGYKUMADS-ZDUSSCGKSA-N 2 2 238.350 2.612 20 0 BFADLP CC[N@H+](C)C1CC[NH+](Cc2cccs2)CC1 ZINC001204017112 966854992 /nfs/dbraw/zinc/85/49/92/966854992.db2.gz MAZPXBXESGSTJQ-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP CC[N@@H+](C)C1CC[NH+](Cc2cccs2)CC1 ZINC001204017112 966854995 /nfs/dbraw/zinc/85/49/95/966854995.db2.gz MAZPXBXESGSTJQ-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP C[C@@H](CC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1)CC(C)(C)C ZINC001204904659 967221429 /nfs/dbraw/zinc/22/14/29/967221429.db2.gz VWOIDUZPXNQFKK-QWHCGFSZSA-N 2 2 238.419 2.872 20 0 BFADLP C[C@@H](CC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1)CC(C)(C)C ZINC001204904659 967221439 /nfs/dbraw/zinc/22/14/39/967221439.db2.gz VWOIDUZPXNQFKK-QWHCGFSZSA-N 2 2 238.419 2.872 20 0 BFADLP CC[N@H+](CCC1CCCC1)C1CC[NH+](C)CC1 ZINC001208694838 969196922 /nfs/dbraw/zinc/19/69/22/969196922.db2.gz CIGUJTGXNZRMRT-UHFFFAOYSA-N 2 2 238.419 2.983 20 0 BFADLP CC[N@@H+](CCC1CCCC1)C1CC[NH+](C)CC1 ZINC001208694838 969196923 /nfs/dbraw/zinc/19/69/23/969196923.db2.gz CIGUJTGXNZRMRT-UHFFFAOYSA-N 2 2 238.419 2.983 20 0 BFADLP C[N@H+](C1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC001254217002 969542478 /nfs/dbraw/zinc/54/24/78/969542478.db2.gz PJCPDIKCRDQQGX-UHFFFAOYSA-N 2 2 246.345 2.590 20 0 BFADLP C[N@@H+](C1CC[NH+](C)CC1)C1CCC(F)(F)CC1 ZINC001254217002 969542483 /nfs/dbraw/zinc/54/24/83/969542483.db2.gz PJCPDIKCRDQQGX-UHFFFAOYSA-N 2 2 246.345 2.590 20 0 BFADLP CC(C)[N@@H+]([C@@H]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC001170158318 970486228 /nfs/dbraw/zinc/48/62/28/970486228.db2.gz NTNWILGOLUGYRS-DZGCQCFKSA-N 2 2 238.419 2.980 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001255957849 970596439 /nfs/dbraw/zinc/59/64/39/970596439.db2.gz VTUBKUXIOUCFCD-HZSPNIEDSA-N 2 2 244.398 2.787 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001255957849 970596458 /nfs/dbraw/zinc/59/64/58/970596458.db2.gz VTUBKUXIOUCFCD-HZSPNIEDSA-N 2 2 244.398 2.787 20 0 BFADLP C[C@H](CC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1)CC(C)(C)C ZINC001235189238 978994136 /nfs/dbraw/zinc/99/41/36/978994136.db2.gz YMBRZRZFADKCBD-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](CC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1)CC(C)(C)C ZINC001235189238 978994141 /nfs/dbraw/zinc/99/41/41/978994141.db2.gz YMBRZRZFADKCBD-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236019457 979309187 /nfs/dbraw/zinc/30/91/87/979309187.db2.gz XWMAGQVEXALKGX-RRFJBIMHSA-N 2 2 236.403 2.792 20 0 BFADLP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236019457 979309197 /nfs/dbraw/zinc/30/91/97/979309197.db2.gz XWMAGQVEXALKGX-RRFJBIMHSA-N 2 2 236.403 2.792 20 0 BFADLP CC[N@H+](CC1CCCCC1)C1CC[NH+](C)CC1 ZINC001201397383 983199337 /nfs/dbraw/zinc/19/93/37/983199337.db2.gz CTWIAQMKFFIPEP-UHFFFAOYSA-N 2 2 238.419 2.983 20 0 BFADLP CC[N@@H+](CC1CCCCC1)C1CC[NH+](C)CC1 ZINC001201397383 983199344 /nfs/dbraw/zinc/19/93/44/983199344.db2.gz CTWIAQMKFFIPEP-UHFFFAOYSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 ZINC001172388751 974733853 /nfs/dbraw/zinc/73/38/53/974733853.db2.gz HSMOOZCVWGFVJI-ZIAGYGMSSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 ZINC001172388751 974733858 /nfs/dbraw/zinc/73/38/58/974733858.db2.gz HSMOOZCVWGFVJI-ZIAGYGMSSA-N 2 2 226.408 2.883 20 0 BFADLP CCCCC(CCCC)[N@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246916585 973467618 /nfs/dbraw/zinc/46/76/18/973467618.db2.gz IOWWRMUNABEQQN-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H]2CF)CC1 ZINC001256577494 970865310 /nfs/dbraw/zinc/86/53/10/970865310.db2.gz NMIXLOFKTDOHAN-CYBMUJFWSA-N 2 2 242.382 2.683 20 0 BFADLP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H]2CF)CC1 ZINC001256577494 970865312 /nfs/dbraw/zinc/86/53/12/970865312.db2.gz NMIXLOFKTDOHAN-CYBMUJFWSA-N 2 2 242.382 2.683 20 0 BFADLP Cc1cc2[nH+]ccn2cc1/C=C/C1CC[NH2+]CC1 ZINC001243895824 971019483 /nfs/dbraw/zinc/01/94/83/971019483.db2.gz GZTCMTVYFYSFMW-NSCUHMNNSA-N 2 2 241.338 2.656 20 0 BFADLP CNc1cc(Nc2ccc(C)[nH+]c2C)cc[nH+]1 ZINC001216331064 971041077 /nfs/dbraw/zinc/04/10/77/971041077.db2.gz KCVVVDZSXAJEQB-UHFFFAOYSA-N 2 2 228.299 2.879 20 0 BFADLP c1ccc(N(C2CCCC2)C2CC[NH2+]CC2)[nH+]c1 ZINC001257354260 971264928 /nfs/dbraw/zinc/26/49/28/971264928.db2.gz BMBNJXCCLYKKGF-UHFFFAOYSA-N 2 2 245.370 2.583 20 0 BFADLP C[C@]1([NH3+])CC[N@H+](Cc2csc3ccccc23)C1 ZINC000405801966 971310117 /nfs/dbraw/zinc/31/01/17/971310117.db2.gz VNULROWKINBEIB-AWEZNQCLSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@]1([NH3+])CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000405801966 971310123 /nfs/dbraw/zinc/31/01/23/971310123.db2.gz VNULROWKINBEIB-AWEZNQCLSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@@]1([NH3+])CC[N@H+](Cc2csc3ccccc23)C1 ZINC000405801968 971311682 /nfs/dbraw/zinc/31/16/82/971311682.db2.gz VNULROWKINBEIB-CQSZACIVSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@@]1([NH3+])CC[N@@H+](Cc2csc3ccccc23)C1 ZINC000405801968 971311696 /nfs/dbraw/zinc/31/16/96/971311696.db2.gz VNULROWKINBEIB-CQSZACIVSA-N 2 2 246.379 2.824 20 0 BFADLP CCCCC[C@H](C)n1c[nH+]c(C)c1CC[NH3+] ZINC001257501787 971419945 /nfs/dbraw/zinc/41/99/45/971419945.db2.gz MSHTWVGZEMFGNN-NSHDSACASA-N 2 2 223.364 2.834 20 0 BFADLP CC(C)C[NH+]1CCC([N@@H+]2C[C@@H](F)C[C@H]2C)CC1 ZINC001258010682 971555272 /nfs/dbraw/zinc/55/52/72/971555272.db2.gz CRIIGWMARBOYGX-OLZOCXBDSA-N 2 2 242.382 2.539 20 0 BFADLP CC(C)C[NH+]1CCC([N@H+]2C[C@@H](F)C[C@H]2C)CC1 ZINC001258010682 971555283 /nfs/dbraw/zinc/55/52/83/971555283.db2.gz CRIIGWMARBOYGX-OLZOCXBDSA-N 2 2 242.382 2.539 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170765517 971758461 /nfs/dbraw/zinc/75/84/61/971758461.db2.gz VHDMTWPLNUTATH-BTTYYORXSA-N 2 2 247.386 2.640 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170765517 971758467 /nfs/dbraw/zinc/75/84/67/971758467.db2.gz VHDMTWPLNUTATH-BTTYYORXSA-N 2 2 247.386 2.640 20 0 BFADLP CC[C@@H](C)OCC[C@@H](C)[NH2+]CC[NH+](CC)CC ZINC001172316424 974524026 /nfs/dbraw/zinc/52/40/26/974524026.db2.gz NYGVTSZVJZAWAT-ZIAGYGMSSA-N 2 2 244.423 2.512 20 0 BFADLP CC[NH+](CC)c1ccc(C)c(NCC[C@@H](C)[NH3+])c1 ZINC001170893693 972052133 /nfs/dbraw/zinc/05/21/33/972052133.db2.gz DCXVJVNVQLCIPP-CYBMUJFWSA-N 2 2 249.402 2.990 20 0 BFADLP CCC[C@H](C)CC[C@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246115454 972183094 /nfs/dbraw/zinc/18/30/94/972183094.db2.gz YUYPIZXOAXXXRW-FQUUOJAGSA-N 2 2 244.398 2.881 20 0 BFADLP CC[C@H](CC(C)C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001172402843 974655611 /nfs/dbraw/zinc/65/56/11/974655611.db2.gz WCWLRYYJESWRIH-CYBMUJFWSA-N 2 2 226.408 2.837 20 0 BFADLP CC[C@H](CC(C)C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001172402843 974655614 /nfs/dbraw/zinc/65/56/14/974655614.db2.gz WCWLRYYJESWRIH-CYBMUJFWSA-N 2 2 226.408 2.837 20 0 BFADLP CCCc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246228599 972232958 /nfs/dbraw/zinc/23/29/58/972232958.db2.gz HMNKNTHSZVMWLU-MRXNPFEDSA-N 2 2 246.398 2.871 20 0 BFADLP Cc1cc(C)c(Nc2c[nH+]ccc2N(C)C)c[nH+]1 ZINC001213505533 957005296 /nfs/dbraw/zinc/00/52/96/957005296.db2.gz IHCNEMROZGESMW-UHFFFAOYSA-N 2 2 242.326 2.903 20 0 BFADLP CC[NH+]1CCC([NH+](C(C)C)C(C)C)CC1 ZINC000147637457 957756155 /nfs/dbraw/zinc/75/61/55/957756155.db2.gz UPVWTFGGTMCMPI-UHFFFAOYSA-N 2 2 212.381 2.590 20 0 BFADLP C[NH+](C)c1ccc(NCC2CC[NH+](C)CC2)cc1 ZINC000054240731 958036918 /nfs/dbraw/zinc/03/69/18/958036918.db2.gz BDNPGQDRENNZLZ-UHFFFAOYSA-N 2 2 247.386 2.506 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246491954 972354535 /nfs/dbraw/zinc/35/45/35/972354535.db2.gz VIZZFNVBYHNYNA-NOLJZWGESA-N 2 2 244.382 2.712 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@]23CCC[NH2+]C3)c1C ZINC001222192262 972400410 /nfs/dbraw/zinc/40/04/10/972400410.db2.gz ULLIGHBAUZGAER-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@]23CCC[NH2+]C3)c1C ZINC001222192262 972400420 /nfs/dbraw/zinc/40/04/20/972400420.db2.gz ULLIGHBAUZGAER-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C)c(C[N@@H+]2CC[C@]23CCC[NH2+]C3)c1 ZINC001222191611 972403523 /nfs/dbraw/zinc/40/35/23/972403523.db2.gz NTRGNTJPVBDMHL-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C)c(C[N@H+]2CC[C@]23CCC[NH2+]C3)c1 ZINC001222191611 972403529 /nfs/dbraw/zinc/40/35/29/972403529.db2.gz NTRGNTJPVBDMHL-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cs1 ZINC000309266094 959821650 /nfs/dbraw/zinc/82/16/50/959821650.db2.gz FFXDAQVCWVUCLC-YPMHNXCESA-N 2 2 238.400 2.758 20 0 BFADLP Cc1cc(C[N@@H+]2CCCC[C@H]2[C@@H](C)[NH3+])cs1 ZINC000309266094 959821653 /nfs/dbraw/zinc/82/16/53/959821653.db2.gz FFXDAQVCWVUCLC-YPMHNXCESA-N 2 2 238.400 2.758 20 0 BFADLP CC(C)=CCC[C@@H](C)CC[NH+]1CC2(C[NH2+]C2)C1 ZINC001222460886 972492683 /nfs/dbraw/zinc/49/26/83/972492683.db2.gz HRKSGNRXHRHOTI-CQSZACIVSA-N 2 2 236.403 2.664 20 0 BFADLP CCc1ccccc1C[N@@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222283145 960526909 /nfs/dbraw/zinc/52/69/09/960526909.db2.gz UCDKDIMDJXAVHB-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1ccccc1C[N@H+]1CCC[C@@]2(CC[NH2+]2)C1 ZINC001222283145 960526927 /nfs/dbraw/zinc/52/69/27/960526927.db2.gz UCDKDIMDJXAVHB-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP C[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140800193 960587592 /nfs/dbraw/zinc/58/75/92/960587592.db2.gz YTJJNGBCLFBWBI-LLVKDONJSA-N 2 2 229.327 2.795 20 0 BFADLP C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140800193 960587595 /nfs/dbraw/zinc/58/75/95/960587595.db2.gz YTJJNGBCLFBWBI-LLVKDONJSA-N 2 2 229.327 2.795 20 0 BFADLP C[C@@]1(F)CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802466 960588889 /nfs/dbraw/zinc/58/88/89/960588889.db2.gz WGVHSMRMKUSWGR-CQSZACIVSA-N 2 2 247.317 2.887 20 0 BFADLP C[C@@]1(F)CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140802466 960588895 /nfs/dbraw/zinc/58/88/95/960588895.db2.gz WGVHSMRMKUSWGR-CQSZACIVSA-N 2 2 247.317 2.887 20 0 BFADLP CC[NH+]1CCC([N@H+](C)Cc2[nH]cc(C)c2C)CC1 ZINC001140860416 960638318 /nfs/dbraw/zinc/63/83/18/960638318.db2.gz RRZHBDPAQUMENK-UHFFFAOYSA-N 2 2 249.402 2.548 20 0 BFADLP CC[NH+]1CCC([N@@H+](C)Cc2[nH]cc(C)c2C)CC1 ZINC001140860416 960638332 /nfs/dbraw/zinc/63/83/32/960638332.db2.gz RRZHBDPAQUMENK-UHFFFAOYSA-N 2 2 249.402 2.548 20 0 BFADLP c1cn2ccc(C[NH+]3CCC4(CC4)CC3)cc2[nH+]1 ZINC001141046981 960836089 /nfs/dbraw/zinc/83/60/89/960836089.db2.gz BYHPKRJGBAWOBS-UHFFFAOYSA-N 2 2 241.338 2.710 20 0 BFADLP CCCCc1[nH]c(C[N@@H+]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC001141074012 960858976 /nfs/dbraw/zinc/85/89/76/960858976.db2.gz SSWDYSLTDDMKNT-WCQYABFASA-N 2 2 233.359 2.737 20 0 BFADLP CCCCc1[nH]c(C[N@H+]2CCC[C@H]3C[C@H]32)c[nH+]1 ZINC001141074012 960858990 /nfs/dbraw/zinc/85/89/90/960858990.db2.gz SSWDYSLTDDMKNT-WCQYABFASA-N 2 2 233.359 2.737 20 0 BFADLP Cc1c[nH+]cc(NCc2ccc(N)[nH+]c2C)c1C ZINC001167786005 960878411 /nfs/dbraw/zinc/87/84/11/960878411.db2.gz KCEXFHZSIQXVAI-UHFFFAOYSA-N 2 2 242.326 2.596 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399060857 961068315 /nfs/dbraw/zinc/06/83/15/961068315.db2.gz YUNRYIUMAPYILS-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000399060857 961068333 /nfs/dbraw/zinc/06/83/33/961068333.db2.gz YUNRYIUMAPYILS-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP FC(F)(F)CCC[NH2+]CCCCn1cc[nH+]c1 ZINC000133756350 962668369 /nfs/dbraw/zinc/66/83/69/962668369.db2.gz DYFIPNVLTYCCEY-UHFFFAOYSA-N 2 2 249.280 2.595 20 0 BFADLP Cc1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)[nH+]c1C ZINC001157796885 963726737 /nfs/dbraw/zinc/72/67/37/963726737.db2.gz JQXZOYIEOCJBKH-KBPBESRZSA-N 2 2 247.386 2.983 20 0 BFADLP CC[N@H+](C1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC001168216960 963992113 /nfs/dbraw/zinc/99/21/13/963992113.db2.gz GIPKSSNLQRFFPY-UHFFFAOYSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@@H+](C1CCC(C)CC1)C1CC[NH+](C)CC1 ZINC001168216960 963992114 /nfs/dbraw/zinc/99/21/14/963992114.db2.gz GIPKSSNLQRFFPY-UHFFFAOYSA-N 2 2 238.419 2.981 20 0 BFADLP Cc1[nH+]c2c(n1C1CCC(C)CC1)CC[NH2+]CC2 ZINC001168213483 963993340 /nfs/dbraw/zinc/99/33/40/963993340.db2.gz ZIBOWGJUGWZUQE-UHFFFAOYSA-N 2 2 247.386 2.631 20 0 BFADLP CC1CCC([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001168221477 963998223 /nfs/dbraw/zinc/99/82/23/963998223.db2.gz DGCMJWSILZTFKN-OOJKYFRXSA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001168221477 963998226 /nfs/dbraw/zinc/99/82/26/963998226.db2.gz DGCMJWSILZTFKN-OOJKYFRXSA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001168221477 963998230 /nfs/dbraw/zinc/99/82/30/963998230.db2.gz DGCMJWSILZTFKN-OOJKYFRXSA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001168221477 963998233 /nfs/dbraw/zinc/99/82/33/963998233.db2.gz DGCMJWSILZTFKN-OOJKYFRXSA-N 2 2 236.403 2.591 20 0 BFADLP Cc1cc(Cl)c(C)c(NCC[C@@H](C)[NH3+])[nH+]1 ZINC001159772612 964187505 /nfs/dbraw/zinc/18/75/05/964187505.db2.gz GTDMICURWXKJPX-SSDOTTSWSA-N 2 2 227.739 2.501 20 0 BFADLP CC[N@H+](C)c1ccc(NC2=CCC[NH2+]CC2)cc1 ZINC001160372172 964293977 /nfs/dbraw/zinc/29/39/77/964293977.db2.gz LCVMYRFFOOOBBR-UHFFFAOYSA-N 2 2 245.370 2.822 20 0 BFADLP CC[N@@H+](C)c1ccc(NC2=CCC[NH2+]CC2)cc1 ZINC001160372172 964293983 /nfs/dbraw/zinc/29/39/83/964293983.db2.gz LCVMYRFFOOOBBR-UHFFFAOYSA-N 2 2 245.370 2.822 20 0 BFADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c[nH+]c1C ZINC001162457848 964985133 /nfs/dbraw/zinc/98/51/33/964985133.db2.gz RRXWSHVLRBXELZ-JSGCOSHPSA-N 2 2 247.386 2.746 20 0 BFADLP CC(C)(C)C(=[NH2+])Nc1ccc2[nH]c[nH+]c2c1 ZINC001162665592 965102539 /nfs/dbraw/zinc/10/25/39/965102539.db2.gz JJQMCIQOPPDRRH-UHFFFAOYSA-N 2 2 216.288 2.998 20 0 BFADLP C(C1CC1)[NH+]1CCC([N@@H+]2CC3CCC2CC3)CC1 ZINC001168387918 965111809 /nfs/dbraw/zinc/11/18/09/965111809.db2.gz YFBNXWGXXDISLE-UHFFFAOYSA-N 2 2 248.414 2.735 20 0 BFADLP C(C1CC1)[NH+]1CCC([N@H+]2CC3CCC2CC3)CC1 ZINC001168387918 965111813 /nfs/dbraw/zinc/11/18/13/965111813.db2.gz YFBNXWGXXDISLE-UHFFFAOYSA-N 2 2 248.414 2.735 20 0 BFADLP [NH3+][C@H](C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC001235224681 966028142 /nfs/dbraw/zinc/02/81/42/966028142.db2.gz NTJWSAGKPWHUHQ-NUEKZKHPSA-N 2 2 244.382 2.808 20 0 BFADLP [NH3+][C@H](C[N@H+]1CC[C@@H]2CCC[C@@H]2C1)c1ccccc1 ZINC001235224681 966028157 /nfs/dbraw/zinc/02/81/57/966028157.db2.gz NTJWSAGKPWHUHQ-NUEKZKHPSA-N 2 2 244.382 2.808 20 0 BFADLP CCc1cccc(C[N@@H+](CC)[C@H]2CCC[NH2+]C2)c1 ZINC001236005015 966223785 /nfs/dbraw/zinc/22/37/85/966223785.db2.gz ABCOMGKVALTCRJ-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1cccc(C[N@H+](CC)[C@H]2CCC[NH2+]C2)c1 ZINC001236005015 966223797 /nfs/dbraw/zinc/22/37/97/966223797.db2.gz ABCOMGKVALTCRJ-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)c(C)cc1C ZINC001236869880 966608033 /nfs/dbraw/zinc/60/80/33/966608033.db2.gz MXJSXKGUXVGLSM-HNNXBMFYSA-N 2 2 234.387 2.781 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)c(C)cc1C ZINC001236869880 966608039 /nfs/dbraw/zinc/60/80/39/966608039.db2.gz MXJSXKGUXVGLSM-HNNXBMFYSA-N 2 2 234.387 2.781 20 0 BFADLP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528001187 966841690 /nfs/dbraw/zinc/84/16/90/966841690.db2.gz LUUZPLUFADLZNS-PMPSAXMXSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CC[C@H]1C1CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528001187 966841693 /nfs/dbraw/zinc/84/16/93/966841693.db2.gz LUUZPLUFADLZNS-PMPSAXMXSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1cc(NCC(C)(C)C[NH+](C)C)c[nH+]c1C ZINC001168767876 967174600 /nfs/dbraw/zinc/17/46/00/967174600.db2.gz LNAQUVXBUNOQJV-UHFFFAOYSA-N 2 2 235.375 2.698 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904358 967224419 /nfs/dbraw/zinc/22/44/19/967224419.db2.gz OWUAGNUZIQWPEX-OAHLLOKOSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904358 967224432 /nfs/dbraw/zinc/22/44/32/967224432.db2.gz OWUAGNUZIQWPEX-OAHLLOKOSA-N 2 2 244.382 2.733 20 0 BFADLP C[NH+](C)CCCc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001250164777 967460661 /nfs/dbraw/zinc/46/06/61/967460661.db2.gz NXOGJQZTWAFPNS-UHFFFAOYSA-N 2 2 229.327 2.571 20 0 BFADLP CC(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000085042161 967661340 /nfs/dbraw/zinc/66/13/40/967661340.db2.gz FDRPDGZFPFVLEL-CBBWQLFWSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000085042161 967661350 /nfs/dbraw/zinc/66/13/50/967661350.db2.gz FDRPDGZFPFVLEL-CBBWQLFWSA-N 2 2 238.419 2.883 20 0 BFADLP CC/C=C\CCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895740 967877991 /nfs/dbraw/zinc/87/79/91/967877991.db2.gz MPUHRGQQKFTHAG-JHZNUDOXSA-N 2 2 242.382 2.884 20 0 BFADLP CC/C=C\CCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001205895740 967877993 /nfs/dbraw/zinc/87/79/93/967877993.db2.gz MPUHRGQQKFTHAG-JHZNUDOXSA-N 2 2 242.382 2.884 20 0 BFADLP C(c1ccc(-c2[nH]cc[nH+]2)cc1)=C1CC[NH2+]CC1 ZINC001240877462 968785708 /nfs/dbraw/zinc/78/57/08/968785708.db2.gz WHLNMVIDKYEAPD-UHFFFAOYSA-N 2 2 239.322 2.844 20 0 BFADLP Nc1cc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cc[nH+]1 ZINC001241169901 968942819 /nfs/dbraw/zinc/94/28/19/968942819.db2.gz ARLVVNWGGWXRTD-CQSZACIVSA-N 2 2 239.322 2.755 20 0 BFADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1F)C2 ZINC001169080957 969402102 /nfs/dbraw/zinc/40/21/02/969402102.db2.gz OAOXMEIPWRIUQH-ZSOGYDGISA-N 2 2 248.345 2.541 20 0 BFADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@H]([NH2+]Cc1ccccc1F)C2 ZINC001169080957 969402110 /nfs/dbraw/zinc/40/21/10/969402110.db2.gz OAOXMEIPWRIUQH-ZSOGYDGISA-N 2 2 248.345 2.541 20 0 BFADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC001169080956 969403844 /nfs/dbraw/zinc/40/38/44/969403844.db2.gz OAOXMEIPWRIUQH-BTTYYORXSA-N 2 2 248.345 2.541 20 0 BFADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+]Cc1ccccc1F)C2 ZINC001169080956 969403851 /nfs/dbraw/zinc/40/38/51/969403851.db2.gz OAOXMEIPWRIUQH-BTTYYORXSA-N 2 2 248.345 2.541 20 0 BFADLP C[C@@H]1C[C@H]1C[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001209418672 969480777 /nfs/dbraw/zinc/48/07/77/969480777.db2.gz RTAQHGRQNXQRJU-OLZOCXBDSA-N 2 2 246.354 2.581 20 0 BFADLP C[N@H+](CCC[NH+]1CCCCC1)C1CC(F)(F)C1 ZINC001209447935 969517043 /nfs/dbraw/zinc/51/70/43/969517043.db2.gz HQVWAKZAIKCMKU-UHFFFAOYSA-N 2 2 246.345 2.592 20 0 BFADLP C[N@@H+](CCC[NH+]1CCCCC1)C1CC(F)(F)C1 ZINC001209447935 969517049 /nfs/dbraw/zinc/51/70/49/969517049.db2.gz HQVWAKZAIKCMKU-UHFFFAOYSA-N 2 2 246.345 2.592 20 0 BFADLP c1cc(OCC[NH2+]C2CCC3(CC3)CC2)cc[nH+]1 ZINC001254440424 969630716 /nfs/dbraw/zinc/63/07/16/969630716.db2.gz UWMFTNIZJPOPEG-UHFFFAOYSA-N 2 2 246.354 2.773 20 0 BFADLP CCc1[nH+]ccc(C)c1Nc1c[nH+]c(N)cc1C ZINC001209966201 969729759 /nfs/dbraw/zinc/72/97/59/969729759.db2.gz VALJYWLMSVIZHD-UHFFFAOYSA-N 2 2 242.326 2.982 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254839879 969800759 /nfs/dbraw/zinc/80/07/59/969800759.db2.gz XHYBIOWBDKRXOL-DZGCQCFKSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254844106 969803874 /nfs/dbraw/zinc/80/38/74/969803874.db2.gz HWYVRJHNQUFOHQ-UONOGXRCSA-N 2 2 236.403 2.639 20 0 BFADLP C[NH2+]Cc1ccc(Nc2ccc(C)c[nH+]2)cc1 ZINC001211127808 970156746 /nfs/dbraw/zinc/15/67/46/970156746.db2.gz ZSHMNMMEWKZCBR-UHFFFAOYSA-N 2 2 227.311 2.853 20 0 BFADLP C[NH2+]Cc1cccc(Nc2[nH+]cc(O)cc2C)c1 ZINC001211134780 970157866 /nfs/dbraw/zinc/15/78/66/970157866.db2.gz TVUITALVZRZVAI-UHFFFAOYSA-N 2 2 243.310 2.559 20 0 BFADLP Cn1c[nH+]cc1-c1ccccc1C1CC[NH2+]CC1 ZINC001243070247 970276547 /nfs/dbraw/zinc/27/65/47/970276547.db2.gz PGZFNBAJAQGLPF-UHFFFAOYSA-N 2 2 241.338 2.554 20 0 BFADLP CC[NH+](CC)Cc1cccc(-c2c[nH+]cn2C)c1 ZINC001243071847 970280334 /nfs/dbraw/zinc/28/03/34/970280334.db2.gz HIHWFDAURXTCDZ-UHFFFAOYSA-N 2 2 243.354 2.929 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc3[nH+]ccn3c2)C1 ZINC001170123543 970364517 /nfs/dbraw/zinc/36/45/17/970364517.db2.gz CPNBYDQKZULYIM-YPMHNXCESA-N 2 2 229.327 2.613 20 0 BFADLP CC[N@H+](CCC[NH+](C)C)[C@@H](C)CC(F)(F)F ZINC001255659653 970438439 /nfs/dbraw/zinc/43/84/39/970438439.db2.gz BBZLKSBOCJVGQA-JTQLQIEISA-N 2 2 240.313 2.601 20 0 BFADLP CC[N@@H+](CCC[NH+](C)C)[C@@H](C)CC(F)(F)F ZINC001255659653 970438444 /nfs/dbraw/zinc/43/84/44/970438444.db2.gz BBZLKSBOCJVGQA-JTQLQIEISA-N 2 2 240.313 2.601 20 0 BFADLP CC(C)[N@H+]([C@@H]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC001170158318 970486214 /nfs/dbraw/zinc/48/62/14/970486214.db2.gz NTNWILGOLUGYRS-DZGCQCFKSA-N 2 2 238.419 2.980 20 0 BFADLP CCC[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001256207810 970714728 /nfs/dbraw/zinc/71/47/28/970714728.db2.gz QRNQUDLGUDCSKY-UHFFFAOYSA-N 2 2 246.398 2.993 20 0 BFADLP CCC[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001256207810 970714732 /nfs/dbraw/zinc/71/47/32/970714732.db2.gz QRNQUDLGUDCSKY-UHFFFAOYSA-N 2 2 246.398 2.993 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246549982 972701994 /nfs/dbraw/zinc/70/19/94/972701994.db2.gz UNJKZNVIMUNEMM-HIFRSBDPSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246549982 972702006 /nfs/dbraw/zinc/70/20/06/972702006.db2.gz UNJKZNVIMUNEMM-HIFRSBDPSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1C[C@@H]([N@@H+]2CCC[NH2+]C[C@@H]2C)CC(C)(C)C1 ZINC001246569936 972830401 /nfs/dbraw/zinc/83/04/01/972830401.db2.gz GJTOQIAJNZIDNA-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[C@@H]([N@H+]2CCC[NH2+]C[C@@H]2C)CC(C)(C)C1 ZINC001246569936 972830405 /nfs/dbraw/zinc/83/04/05/972830405.db2.gz GJTOQIAJNZIDNA-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP CC[NH+](CC)c1ccc(C)c(NCC(C)(C)[NH3+])c1 ZINC001171193612 972845740 /nfs/dbraw/zinc/84/57/40/972845740.db2.gz BULKSOSGDMAMTD-UHFFFAOYSA-N 2 2 249.402 2.990 20 0 BFADLP CCCCC(CCCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246916585 973467607 /nfs/dbraw/zinc/46/76/07/973467607.db2.gz IOWWRMUNABEQQN-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](CC(C)C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001172404456 974658958 /nfs/dbraw/zinc/65/89/58/974658958.db2.gz XWBLLANOKXWTEB-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001172404456 974658961 /nfs/dbraw/zinc/65/89/61/974658961.db2.gz XWBLLANOKXWTEB-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001172404456 974658963 /nfs/dbraw/zinc/65/89/63/974658963.db2.gz XWBLLANOKXWTEB-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001172404456 974658966 /nfs/dbraw/zinc/65/89/66/974658966.db2.gz XWBLLANOKXWTEB-ZNMIVQPWSA-N 2 2 238.419 2.837 20 0 BFADLP CC[NH+](CC)C1CCC([NH+]2CC(C)(F)C2)CC1 ZINC001173110142 975026946 /nfs/dbraw/zinc/02/69/46/975026946.db2.gz PQKMCQLEIBTTDN-UHFFFAOYSA-N 2 2 242.382 2.683 20 0 BFADLP CC[NH+]1CCC(Oc2c(C)cc[nH+]c2C)CC1 ZINC001227259487 975334475 /nfs/dbraw/zinc/33/44/75/975334475.db2.gz IXEZFSWCBWAEKG-UHFFFAOYSA-N 2 2 234.343 2.562 20 0 BFADLP Cc1c[nH+]c(Nc2cc[nH+]c(C)c2)c(C)c1 ZINC001174654206 976945998 /nfs/dbraw/zinc/94/59/98/976945998.db2.gz VZAUQYWXMCYSTD-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP C[C@@H](CC1CC1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721638301 977596409 /nfs/dbraw/zinc/59/64/09/977596409.db2.gz GHONTGHXILEDCL-LRDDRELGSA-N 2 2 244.382 2.561 20 0 BFADLP C[C@@H](CC1CC1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721638301 977596417 /nfs/dbraw/zinc/59/64/17/977596417.db2.gz GHONTGHXILEDCL-LRDDRELGSA-N 2 2 244.382 2.561 20 0 BFADLP Cc1cc(F)cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]1 ZINC001336982472 978104075 /nfs/dbraw/zinc/10/40/75/978104075.db2.gz FCCLSAQNUMATPB-CHWSQXEVSA-N 2 2 249.333 2.568 20 0 BFADLP Cc1cc(F)cc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]1 ZINC001336982472 978104096 /nfs/dbraw/zinc/10/40/96/978104096.db2.gz FCCLSAQNUMATPB-CHWSQXEVSA-N 2 2 249.333 2.568 20 0 BFADLP c1cn(-c2csc(C[NH2+]C3CCCC3)c2)c[nH+]1 ZINC001177104637 978294591 /nfs/dbraw/zinc/29/45/91/978294591.db2.gz YKBDBVQYXPAJEK-UHFFFAOYSA-N 2 2 247.367 2.966 20 0 BFADLP Cc1[nH]c(C[N@H+]2CC[C@H]3CCC[C@@H]3C2)c(C)[nH+]1 ZINC001234608859 978872455 /nfs/dbraw/zinc/87/24/55/978872455.db2.gz MCNMPJKMHQFJNW-CHWSQXEVSA-N 2 2 233.359 2.649 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCCCC23CC3)c(C)[nH+]1 ZINC001234645027 978885352 /nfs/dbraw/zinc/88/53/52/978885352.db2.gz KNVKGLWTCFVINB-UHFFFAOYSA-N 2 2 219.332 2.545 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCCCC23CC3)c(C)[nH+]1 ZINC001234645027 978885353 /nfs/dbraw/zinc/88/53/53/978885353.db2.gz KNVKGLWTCFVINB-UHFFFAOYSA-N 2 2 219.332 2.545 20 0 BFADLP CCCCc1ccc(C[N@@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235145026 978981844 /nfs/dbraw/zinc/98/18/44/978981844.db2.gz ASMIJJISGZITHM-HOTGVXAUSA-N 2 2 244.382 2.562 20 0 BFADLP CCCCc1ccc(C[N@H+]2C[C@@H]3C[C@]3([NH3+])C2)cc1 ZINC001235145026 978981848 /nfs/dbraw/zinc/98/18/48/978981848.db2.gz ASMIJJISGZITHM-HOTGVXAUSA-N 2 2 244.382 2.562 20 0 BFADLP CCc1cccc(C)c1C[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235345875 979031705 /nfs/dbraw/zinc/03/17/05/979031705.db2.gz CMVYJVFXSFANND-HNNXBMFYSA-N 2 2 246.398 2.741 20 0 BFADLP CCc1cccc(C)c1C[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235345875 979031711 /nfs/dbraw/zinc/03/17/11/979031711.db2.gz CMVYJVFXSFANND-HNNXBMFYSA-N 2 2 246.398 2.741 20 0 BFADLP Cc1c(C)c(C)c(C[N@@H+]2CC[C@H]([NH3+])C2)c(C)c1C ZINC001235362774 979033434 /nfs/dbraw/zinc/03/34/34/979033434.db2.gz MWJGCCOWQQNFHN-HNNXBMFYSA-N 2 2 246.398 2.762 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](CC[C@@H](C)CC(C)(C)C)C1 ZINC001235828251 979164532 /nfs/dbraw/zinc/16/45/32/979164532.db2.gz AUYQDCLGJVPFAC-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@@H](C)CC(C)(C)C)C1 ZINC001235828251 979164537 /nfs/dbraw/zinc/16/45/37/979164537.db2.gz AUYQDCLGJVPFAC-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]([NH3+])C[N@H+](C)CCc1cccc(Cl)c1 ZINC001235839050 979167677 /nfs/dbraw/zinc/16/76/77/979167677.db2.gz HWIRJTKFZUDBLM-CYBMUJFWSA-N 2 2 240.778 2.552 20 0 BFADLP CC[C@@H]([NH3+])C[N@@H+](C)CCc1cccc(Cl)c1 ZINC001235839050 979167678 /nfs/dbraw/zinc/16/76/78/979167678.db2.gz HWIRJTKFZUDBLM-CYBMUJFWSA-N 2 2 240.778 2.552 20 0 BFADLP CCc1cccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)c1 ZINC001235907952 979202673 /nfs/dbraw/zinc/20/26/73/979202673.db2.gz VIWXWONZHOFXDQ-IUODEOHRSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1cccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)c1 ZINC001235907952 979202676 /nfs/dbraw/zinc/20/26/76/979202676.db2.gz VIWXWONZHOFXDQ-IUODEOHRSA-N 2 2 232.371 2.561 20 0 BFADLP CC(C)[N@H+](CC[NH3+])Cc1ccc(C2CC2)cc1 ZINC001235947294 979218215 /nfs/dbraw/zinc/21/82/15/979218215.db2.gz IXBIZMNEZCQIQX-UHFFFAOYSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)[N@@H+](CC[NH3+])Cc1ccc(C2CC2)cc1 ZINC001235947294 979218225 /nfs/dbraw/zinc/21/82/25/979218225.db2.gz IXBIZMNEZCQIQX-UHFFFAOYSA-N 2 2 232.371 2.733 20 0 BFADLP CCCc1ccc(C[N@H+](CC[NH3+])C(C)C)s1 ZINC001235948293 979221387 /nfs/dbraw/zinc/22/13/87/979221387.db2.gz NAMFAAXDXUREED-UHFFFAOYSA-N 2 2 240.416 2.870 20 0 BFADLP CCCc1ccc(C[N@@H+](CC[NH3+])C(C)C)s1 ZINC001235948293 979221398 /nfs/dbraw/zinc/22/13/98/979221398.db2.gz NAMFAAXDXUREED-UHFFFAOYSA-N 2 2 240.416 2.870 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](Cc1ccccn1)C1CCCCC1 ZINC001235964070 979233782 /nfs/dbraw/zinc/23/37/82/979233782.db2.gz YOQNNSTWLSSOAT-CYBMUJFWSA-N 2 2 247.386 2.564 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001235964070 979233793 /nfs/dbraw/zinc/23/37/93/979233793.db2.gz YOQNNSTWLSSOAT-CYBMUJFWSA-N 2 2 247.386 2.564 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235982404 979259460 /nfs/dbraw/zinc/25/94/60/979259460.db2.gz VFTIOQFONRZNEL-JKSUJKDBSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235982404 979259479 /nfs/dbraw/zinc/25/94/79/979259479.db2.gz VFTIOQFONRZNEL-JKSUJKDBSA-N 2 2 244.382 2.733 20 0 BFADLP C[C@H]1Cc2ccccc2C[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236071250 979357300 /nfs/dbraw/zinc/35/73/00/979357300.db2.gz HPWMUASVIXQQCV-XJKSGUPXSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236071250 979357305 /nfs/dbraw/zinc/35/73/05/979357305.db2.gz HPWMUASVIXQQCV-XJKSGUPXSA-N 2 2 244.382 2.575 20 0 BFADLP CSc1ccccc1[C@@H]1CCC[N@@H+]1CC[NH3+] ZINC001236108776 979393337 /nfs/dbraw/zinc/39/33/37/979393337.db2.gz NDTCGDRKKKNNOZ-LBPRGKRZSA-N 2 2 236.384 2.504 20 0 BFADLP CSc1ccccc1[C@@H]1CCC[N@H+]1CC[NH3+] ZINC001236108776 979393340 /nfs/dbraw/zinc/39/33/40/979393340.db2.gz NDTCGDRKKKNNOZ-LBPRGKRZSA-N 2 2 236.384 2.504 20 0 BFADLP C[N@@H+](Cc1cccc2occc21)C[C@@H]1CCC[NH2+]1 ZINC001236122545 979396649 /nfs/dbraw/zinc/39/66/49/979396649.db2.gz VQZSKIGILKVYIM-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+](Cc1cccc2occc21)C[C@@H]1CCC[NH2+]1 ZINC001236122545 979396658 /nfs/dbraw/zinc/39/66/58/979396658.db2.gz VQZSKIGILKVYIM-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccc(Cl)c(C)c1C ZINC001236143480 979409089 /nfs/dbraw/zinc/40/90/89/979409089.db2.gz JUUVGJCTQVHSOH-UHFFFAOYSA-N 2 2 240.778 2.737 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccc(Cl)c(C)c1C ZINC001236143480 979409097 /nfs/dbraw/zinc/40/90/97/979409097.db2.gz JUUVGJCTQVHSOH-UHFFFAOYSA-N 2 2 240.778 2.737 20 0 BFADLP Cc1ccc(C)c(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236200561 979446840 /nfs/dbraw/zinc/44/68/40/979446840.db2.gz HZAOLTHBILTOQK-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(C)c(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236200561 979446847 /nfs/dbraw/zinc/44/68/47/979446847.db2.gz HZAOLTHBILTOQK-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cccc(C)c1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236205242 979447933 /nfs/dbraw/zinc/44/79/33/979447933.db2.gz CVGGVIVDBGPGFT-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cccc(C)c1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236205242 979447940 /nfs/dbraw/zinc/44/79/40/979447940.db2.gz CVGGVIVDBGPGFT-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1C ZINC001236202311 979449601 /nfs/dbraw/zinc/44/96/01/979449601.db2.gz QFCUNDKBLYPZFF-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1C ZINC001236202311 979449607 /nfs/dbraw/zinc/44/96/07/979449607.db2.gz QFCUNDKBLYPZFF-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CCc1ccccc1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236209321 979449741 /nfs/dbraw/zinc/44/97/41/979449741.db2.gz WFAZRFGGAAKIDC-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1ccccc1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236209321 979449746 /nfs/dbraw/zinc/44/97/46/979449746.db2.gz WFAZRFGGAAKIDC-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP Cc1cccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236202292 979450619 /nfs/dbraw/zinc/45/06/19/979450619.db2.gz PWWJYLXEAMQXSV-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1cccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236202292 979450622 /nfs/dbraw/zinc/45/06/22/979450622.db2.gz PWWJYLXEAMQXSV-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1ccccc1C[N@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236235419 979459190 /nfs/dbraw/zinc/45/91/90/979459190.db2.gz ANRXJELFBYRPMT-MRXNPFEDSA-N 2 2 244.382 2.711 20 0 BFADLP Cc1ccccc1C[N@@H+](C1CC1)[C@@H]1CCC[NH2+]C1 ZINC001236235419 979459193 /nfs/dbraw/zinc/45/91/93/979459193.db2.gz ANRXJELFBYRPMT-MRXNPFEDSA-N 2 2 244.382 2.711 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH3+])s1 ZINC001236245021 979463604 /nfs/dbraw/zinc/46/36/04/979463604.db2.gz IJJPVLUYZHZVFH-LLVKDONJSA-N 2 2 238.400 2.624 20 0 BFADLP CCCc1ccc(C[N@H+]2CCC[C@@H]2C[NH3+])s1 ZINC001236245021 979463606 /nfs/dbraw/zinc/46/36/06/979463606.db2.gz IJJPVLUYZHZVFH-LLVKDONJSA-N 2 2 238.400 2.624 20 0 BFADLP CC(C)([NH3+])c1cccc(-c2ccc(N)[nH+]c2)c1 ZINC001236316559 979528387 /nfs/dbraw/zinc/52/83/87/979528387.db2.gz NFPRQYRHUCOZNZ-UHFFFAOYSA-N 2 2 227.311 2.525 20 0 BFADLP c1cn2ccc(-c3cccc4c3CC[NH2+]C4)cc2[nH+]1 ZINC001236348318 979550358 /nfs/dbraw/zinc/55/03/58/979550358.db2.gz MCSCEXIGRISQLW-UHFFFAOYSA-N 2 2 249.317 2.647 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc2occc21 ZINC001236421207 979591336 /nfs/dbraw/zinc/59/13/36/979591336.db2.gz DEJRCSIYVOUROS-CYBMUJFWSA-N 2 2 244.338 2.617 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc2occc21 ZINC001236421207 979591342 /nfs/dbraw/zinc/59/13/42/979591342.db2.gz DEJRCSIYVOUROS-CYBMUJFWSA-N 2 2 244.338 2.617 20 0 BFADLP Cc1sc2ccccc2c1C[N@@H+](C)C[C@H](C)[NH3+] ZINC001236898988 979785791 /nfs/dbraw/zinc/78/57/91/979785791.db2.gz FCRCLTLDJPUXHM-JTQLQIEISA-N 2 2 248.395 2.989 20 0 BFADLP Cc1sc2ccccc2c1C[N@H+](C)C[C@H](C)[NH3+] ZINC001236898988 979785797 /nfs/dbraw/zinc/78/57/97/979785797.db2.gz FCRCLTLDJPUXHM-JTQLQIEISA-N 2 2 248.395 2.989 20 0 BFADLP CCc1cc(C[N@H+](C)C[C@H](C)[NH3+])ccc1Cl ZINC001236908840 979792140 /nfs/dbraw/zinc/79/21/40/979792140.db2.gz MCPCKPXEEKDLTO-JTQLQIEISA-N 2 2 240.778 2.681 20 0 BFADLP CCc1cc(C[N@@H+](C)C[C@H](C)[NH3+])ccc1Cl ZINC001236908840 979792146 /nfs/dbraw/zinc/79/21/46/979792146.db2.gz MCPCKPXEEKDLTO-JTQLQIEISA-N 2 2 240.778 2.681 20 0 BFADLP F[C@H]1CCCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238102303 980149834 /nfs/dbraw/zinc/14/98/34/980149834.db2.gz ASXCCBPFTRRITR-LBPRGKRZSA-N 2 2 247.317 2.658 20 0 BFADLP F[C@H]1CCCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238102303 980149838 /nfs/dbraw/zinc/14/98/38/980149838.db2.gz ASXCCBPFTRRITR-LBPRGKRZSA-N 2 2 247.317 2.658 20 0 BFADLP CC1(F)CC[NH+](Cc2cccc3c[nH+]cn32)CC1 ZINC001238103571 980150400 /nfs/dbraw/zinc/15/04/00/980150400.db2.gz MQCVNEAEVBFPQI-UHFFFAOYSA-N 2 2 247.317 2.658 20 0 BFADLP C/C(=C\C=C\[NH3+])c1ccccc1C[NH+](C)C ZINC001239684360 980841000 /nfs/dbraw/zinc/84/10/00/980841000.db2.gz OVKKJKNLOZKMNJ-QXZILWSFSA-N 2 2 216.328 2.624 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000084981937 980862223 /nfs/dbraw/zinc/86/22/23/980862223.db2.gz GCZINYRJEHKQIR-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000084981937 980862224 /nfs/dbraw/zinc/86/22/24/980862224.db2.gz GCZINYRJEHKQIR-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+](Cc1ccc(C)o1)C1CC[NH+](C)CC1 ZINC001203293999 981161396 /nfs/dbraw/zinc/16/13/96/981161396.db2.gz PQCONGGATUCUEL-UHFFFAOYSA-N 2 2 236.359 2.504 20 0 BFADLP CC[N@@H+](Cc1ccc(C)o1)C1CC[NH+](C)CC1 ZINC001203293999 981161400 /nfs/dbraw/zinc/16/14/00/981161400.db2.gz PQCONGGATUCUEL-UHFFFAOYSA-N 2 2 236.359 2.504 20 0 BFADLP c1cn2cc(-c3ccc4c(c3)C[NH2+]CC4)ccc2[nH+]1 ZINC001240217946 981166549 /nfs/dbraw/zinc/16/65/49/981166549.db2.gz SMAOOBCGWGEGQU-UHFFFAOYSA-N 2 2 249.317 2.647 20 0 BFADLP [NH3+][C@@H]1CCc2ccc(-c3ccc4[nH+]ccn4c3)cc21 ZINC001240221450 981174912 /nfs/dbraw/zinc/17/49/12/981174912.db2.gz SQZFOMFFVUTVLN-OAHLLOKOSA-N 2 2 249.317 2.947 20 0 BFADLP Fc1cccc([C@H]2CC[N@@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001350358167 981939629 /nfs/dbraw/zinc/93/96/29/981939629.db2.gz KEJIEBDWQUPPFB-SWLSCSKDSA-N 2 2 248.345 2.572 20 0 BFADLP Fc1cccc([C@H]2CC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC001350358167 981939637 /nfs/dbraw/zinc/93/96/37/981939637.db2.gz KEJIEBDWQUPPFB-SWLSCSKDSA-N 2 2 248.345 2.572 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000080459827 982431077 /nfs/dbraw/zinc/43/10/77/982431077.db2.gz WXTJJHKIRAAGHU-LSDHHAIUSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC=CC12CCCCC2 ZINC001198800431 982848163 /nfs/dbraw/zinc/84/81/63/982848163.db2.gz KLLORUJGWDKTNI-UHFFFAOYSA-N 2 2 245.370 2.766 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC=CC12CCCCC2 ZINC001198800431 982848165 /nfs/dbraw/zinc/84/81/65/982848165.db2.gz KLLORUJGWDKTNI-UHFFFAOYSA-N 2 2 245.370 2.766 20 0 BFADLP Cc1cc(-c2ccccc2CC[NH3+])cc(C)[nH+]1 ZINC001241994448 983187341 /nfs/dbraw/zinc/18/73/41/983187341.db2.gz UPOYLUDBOJZNIU-UHFFFAOYSA-N 2 2 226.323 2.867 20 0 BFADLP Cc1ccccc1C[NH2+]CC[N@H+]1CCC[C@H]1C ZINC001200837765 983392662 /nfs/dbraw/zinc/39/26/62/983392662.db2.gz GHXIBTQRTMFNCK-CQSZACIVSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1ccccc1C[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC001200837765 983392669 /nfs/dbraw/zinc/39/26/69/983392669.db2.gz GHXIBTQRTMFNCK-CQSZACIVSA-N 2 2 232.371 2.569 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC001200837787 983393656 /nfs/dbraw/zinc/39/36/56/983393656.db2.gz GVAWXAJGICVWAE-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C)[C@H](C)C1 ZINC001200837787 983393665 /nfs/dbraw/zinc/39/36/65/983393665.db2.gz GVAWXAJGICVWAE-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP CCCCCC[N@H+](CC)C1CC[NH+](C)CC1 ZINC001201755397 983461229 /nfs/dbraw/zinc/46/12/29/983461229.db2.gz ZIMRKKVADQSDRS-UHFFFAOYSA-N 2 2 226.408 2.983 20 0 BFADLP CCCCCC[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001201755397 983461239 /nfs/dbraw/zinc/46/12/39/983461239.db2.gz ZIMRKKVADQSDRS-UHFFFAOYSA-N 2 2 226.408 2.983 20 0 BFADLP c1cc(OC2CC[NH+](CC3CCC3)CC2)cc[nH+]1 ZINC001202706827 984161252 /nfs/dbraw/zinc/16/12/52/984161252.db2.gz YWSWDDCMBUGIIE-UHFFFAOYSA-N 2 2 246.354 2.725 20 0 BFADLP CCC(CC)N(c1cccc[nH+]1)C1CC[NH2+]CC1 ZINC001257304019 984875761 /nfs/dbraw/zinc/87/57/61/984875761.db2.gz XSRPBBSNSMRGHN-UHFFFAOYSA-N 2 2 247.386 2.829 20 0 BFADLP CCC[C@@H](C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001257326241 984896369 /nfs/dbraw/zinc/89/63/69/984896369.db2.gz UHSOCLMUUMIFPR-VXGBXAGGSA-N 2 2 221.348 2.711 20 0 BFADLP CCC[C@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257327540 984897647 /nfs/dbraw/zinc/89/76/47/984897647.db2.gz LHUQZAGZGOIYCS-ZDUSSCGKSA-N 2 2 226.408 2.980 20 0 BFADLP CCC[C@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257327540 984897650 /nfs/dbraw/zinc/89/76/50/984897650.db2.gz LHUQZAGZGOIYCS-ZDUSSCGKSA-N 2 2 226.408 2.980 20 0 BFADLP CC(C)=CCC[C@H](C)n1cc[nH+]c1CC[NH3+] ZINC001258077921 985378639 /nfs/dbraw/zinc/37/86/39/985378639.db2.gz FURZSYRHPSHFDA-LBPRGKRZSA-N 2 2 221.348 2.692 20 0 BFADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000688891711 985751763 /nfs/dbraw/zinc/75/17/63/985751763.db2.gz FBZVAFIVUUDONG-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000688891711 985751797 /nfs/dbraw/zinc/75/17/97/985751797.db2.gz FBZVAFIVUUDONG-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001258454201 985895125 /nfs/dbraw/zinc/89/51/25/985895125.db2.gz IBKSGCUHIXZSEW-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001258454201 985895128 /nfs/dbraw/zinc/89/51/28/985895128.db2.gz IBKSGCUHIXZSEW-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc(C)cc(C2=CC[N@H+](C[C@@H](C)[NH3+])CC2)c1 ZINC001579579866 986096970 /nfs/dbraw/zinc/09/69/70/986096970.db2.gz LKRHRXUCAIBYIM-CQSZACIVSA-N 2 2 244.382 2.740 20 0 BFADLP Cc1cc(C)cc(C2=CC[N@@H+](C[C@@H](C)[NH3+])CC2)c1 ZINC001579579866 986096983 /nfs/dbraw/zinc/09/69/83/986096983.db2.gz LKRHRXUCAIBYIM-CQSZACIVSA-N 2 2 244.382 2.740 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258818044 986277748 /nfs/dbraw/zinc/27/77/48/986277748.db2.gz FVCRFSXBAHVAKQ-DGCLKSJQSA-N 2 2 233.359 2.586 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CCC[C@@H](C)C1)C2 ZINC001258818044 986277757 /nfs/dbraw/zinc/27/77/57/986277757.db2.gz FVCRFSXBAHVAKQ-DGCLKSJQSA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001462478258 986400878 /nfs/dbraw/zinc/40/08/78/986400878.db2.gz TUMYBJRGKNEROR-KKUMJFAQSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001462478258 986400884 /nfs/dbraw/zinc/40/08/84/986400884.db2.gz TUMYBJRGKNEROR-KKUMJFAQSA-N 2 2 238.419 2.887 20 0 BFADLP C/C(=C\C=C\[NH3+])c1cccc(C[NH+](C)C)c1F ZINC001244865877 986405295 /nfs/dbraw/zinc/40/52/95/986405295.db2.gz UYDKEOCDGZUFRA-MPEOSAONSA-N 2 2 234.318 2.763 20 0 BFADLP CNc1cc(-c2cccc3c2CC[C@@H]3[NH3+])cc[nH+]1 ZINC001244975118 986558201 /nfs/dbraw/zinc/55/82/01/986558201.db2.gz AMLXBNSOBZIODN-AWEZNQCLSA-N 2 2 239.322 2.736 20 0 BFADLP Cc1cc(-c2ccccc2[C@@H](C)[NH3+])c[nH+]c1N ZINC001245541744 986931928 /nfs/dbraw/zinc/93/19/28/986931928.db2.gz XVXCPLAGSOIOEX-SNVBAGLBSA-N 2 2 227.311 2.659 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C(C)(C)c2ccccc2)C[NH2+]1 ZINC001246094720 987405375 /nfs/dbraw/zinc/40/53/75/987405375.db2.gz XTVNPHXQXRQXJS-OCCSQVGLSA-N 2 2 232.371 2.652 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246112128 987446286 /nfs/dbraw/zinc/44/62/86/987446286.db2.gz POXXHJMFVSWNMB-OCCSQVGLSA-N 2 2 244.398 2.737 20 0 BFADLP CCC[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246140781 987499006 /nfs/dbraw/zinc/49/90/06/987499006.db2.gz ICARIABIDMSTPT-CFVMTHIKSA-N 2 2 232.371 2.868 20 0 BFADLP c1cn(CCC[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC001116485991 987600379 /nfs/dbraw/zinc/60/03/79/987600379.db2.gz YKYCCWARIDZOBS-HUUCEWRRSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC001116485991 987600387 /nfs/dbraw/zinc/60/03/87/987600387.db2.gz YKYCCWARIDZOBS-HUUCEWRRSA-N 2 2 247.386 2.785 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246239735 987638719 /nfs/dbraw/zinc/63/87/19/987638719.db2.gz LHFLYCGOGPHLIQ-CFVMTHIKSA-N 2 2 232.371 2.868 20 0 BFADLP c1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001246284234 987678615 /nfs/dbraw/zinc/67/86/15/987678615.db2.gz CICLKNKSLWZZBT-JKSUJKDBSA-N 2 2 244.382 2.869 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1ccccc1C ZINC001246314751 987719075 /nfs/dbraw/zinc/71/90/75/987719075.db2.gz PUWKIIAOZJAPRB-UMVBOHGHSA-N 2 2 232.371 2.786 20 0 BFADLP c1cc2c(cccc2C[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC001246318951 987723838 /nfs/dbraw/zinc/72/38/38/987723838.db2.gz UPGDVQIZPHYIBH-LBPRGKRZSA-N 2 2 246.379 2.743 20 0 BFADLP CCCCC[C@@H](CC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246337988 987745562 /nfs/dbraw/zinc/74/55/62/987745562.db2.gz VYNPHFAELBUBHK-OLZOCXBDSA-N 2 2 244.448 2.640 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CC2CC2)c2ccccc2)C[NH2+]1 ZINC001246405974 987786976 /nfs/dbraw/zinc/78/69/76/987786976.db2.gz NRZODJOACQLKNG-WQVCFCJDSA-N 2 2 244.382 2.868 20 0 BFADLP Cc1cccc(C2([NH2+][C@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246477869 987835038 /nfs/dbraw/zinc/83/50/38/987835038.db2.gz IKGGGVNYLQKIFJ-HNNXBMFYSA-N 2 2 244.382 2.716 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccncc1 ZINC001246514148 987865655 /nfs/dbraw/zinc/86/56/55/987865655.db2.gz HMKJGNQQFMOKJH-NWANDNLSSA-N 2 2 247.386 2.509 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3[C@@H](C)C2)C[NH2+]1 ZINC001246547669 987931162 /nfs/dbraw/zinc/93/11/62/987931162.db2.gz LZIVTDCYZCXGKN-GUTXKFCHSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3[C@@H](C)C2)C[NH2+]1 ZINC001246547669 987931169 /nfs/dbraw/zinc/93/11/69/987931169.db2.gz LZIVTDCYZCXGKN-GUTXKFCHSA-N 2 2 244.382 2.746 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246588802 988152472 /nfs/dbraw/zinc/15/24/72/988152472.db2.gz XYAYFBPQRXTJDZ-RVMXOQNASA-N 2 2 230.371 2.572 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]([NH3+])C[C@H](F)C1 ZINC001246588802 988152480 /nfs/dbraw/zinc/15/24/80/988152480.db2.gz XYAYFBPQRXTJDZ-RVMXOQNASA-N 2 2 230.371 2.572 20 0 BFADLP CCCC[C@H](CCC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655433 988383976 /nfs/dbraw/zinc/38/39/76/988383976.db2.gz LILZRTGBFBEGRI-MELADBBJSA-N 2 2 224.392 2.768 20 0 BFADLP CCCC[C@H](CCC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246655433 988383984 /nfs/dbraw/zinc/38/39/84/988383984.db2.gz LILZRTGBFBEGRI-MELADBBJSA-N 2 2 224.392 2.768 20 0 BFADLP CCC[C@H](C)CC[C@@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663422 988399732 /nfs/dbraw/zinc/39/97/32/988399732.db2.gz MRFWEKCUUBQDAM-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H](C)CC[C@@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663422 988399744 /nfs/dbraw/zinc/39/97/44/988399744.db2.gz MRFWEKCUUBQDAM-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667437 988412887 /nfs/dbraw/zinc/41/28/87/988412887.db2.gz ZEIUJCIXBBOJJR-GBJTYRQASA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246667437 988412892 /nfs/dbraw/zinc/41/28/92/988412892.db2.gz ZEIUJCIXBBOJJR-GBJTYRQASA-N 2 2 238.419 2.741 20 0 BFADLP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246847405 988563702 /nfs/dbraw/zinc/56/37/02/988563702.db2.gz RXNXVNVHIKYXRJ-VHDGCEQUSA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@H](c1ccccc1)[N@@H+](C)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246847405 988563712 /nfs/dbraw/zinc/56/37/12/988563712.db2.gz RXNXVNVHIKYXRJ-VHDGCEQUSA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246847403 988567101 /nfs/dbraw/zinc/56/71/01/988567101.db2.gz RXNXVNVHIKYXRJ-NWANDNLSSA-N 2 2 232.371 2.820 20 0 BFADLP CC[C@H](c1ccccc1)[N@@H+](C)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246847403 988567109 /nfs/dbraw/zinc/56/71/09/988567109.db2.gz RXNXVNVHIKYXRJ-NWANDNLSSA-N 2 2 232.371 2.820 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001323669112 988579676 /nfs/dbraw/zinc/57/96/76/988579676.db2.gz QHHCAGJJXJEVKJ-GJZGRUSLSA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@H](C)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC001323669112 988579686 /nfs/dbraw/zinc/57/96/86/988579686.db2.gz QHHCAGJJXJEVKJ-GJZGRUSLSA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC001323669112 988579691 /nfs/dbraw/zinc/57/96/91/988579691.db2.gz QHHCAGJJXJEVKJ-GJZGRUSLSA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC001323669112 988579701 /nfs/dbraw/zinc/57/97/01/988579701.db2.gz QHHCAGJJXJEVKJ-GJZGRUSLSA-N 2 2 238.419 2.839 20 0 BFADLP C1[C@@H]2C[C@H]([N@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C[C@H]12 ZINC001246978087 988809975 /nfs/dbraw/zinc/80/99/75/988809975.db2.gz JNAXDPRQJHDHEX-CLWVCHIJSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2C[C@H]([N@@H+]([C@@H]3CC[NH2+]C3)C3CCCCC3)C[C@H]12 ZINC001246978087 988809979 /nfs/dbraw/zinc/80/99/79/988809979.db2.gz JNAXDPRQJHDHEX-CLWVCHIJSA-N 2 2 248.414 2.782 20 0 BFADLP C(C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1)[NH+]1CCCC1 ZINC001119733764 989375839 /nfs/dbraw/zinc/37/58/39/989375839.db2.gz UDQTWAJGRSBBEP-HUUCEWRRSA-N 2 2 236.403 2.594 20 0 BFADLP C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)[NH+]1CCCC1 ZINC001119733764 989375846 /nfs/dbraw/zinc/37/58/46/989375846.db2.gz UDQTWAJGRSBBEP-HUUCEWRRSA-N 2 2 236.403 2.594 20 0 BFADLP CCc1ccc(NC2CC[NH+](C(C)C)CC2)[nH+]c1 ZINC001120876156 989939937 /nfs/dbraw/zinc/93/99/37/989939937.db2.gz PDSUFIXOWTXYSA-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP CCCCC[C@@H](CC)[NH2+][C@H](C)C[NH+](C)C ZINC001258429459 991358562 /nfs/dbraw/zinc/35/85/62/991358562.db2.gz XMSNRJMSQIQSCK-CHWSQXEVSA-N 2 2 214.397 2.885 20 0 BFADLP C[C@@H](CC1CC1)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001258468017 991429767 /nfs/dbraw/zinc/42/97/67/991429767.db2.gz QKRNZDLVMFHLJC-WCQYABFASA-N 2 2 233.359 2.711 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001258599355 991501488 /nfs/dbraw/zinc/50/14/88/991501488.db2.gz ZJMSQLPREVVYPH-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001258599355 991501498 /nfs/dbraw/zinc/50/14/98/991501498.db2.gz ZJMSQLPREVVYPH-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cccc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)[nH+]1 ZINC001320359921 992183105 /nfs/dbraw/zinc/18/31/05/992183105.db2.gz XVPHXRNIKLQXBL-OLZOCXBDSA-N 2 2 233.359 2.675 20 0 BFADLP C[C@@]1([NH2+][C@H]2CCC[NH2+]C2)CCCc2ccccc21 ZINC001573625063 992652496 /nfs/dbraw/zinc/65/24/96/992652496.db2.gz HFXXYYIKXWSWKE-GOEBONIOSA-N 2 2 244.382 2.580 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001262195033 992787937 /nfs/dbraw/zinc/78/79/37/992787937.db2.gz MDWJMPVQBXWROM-BPKFXHHPSA-N 2 2 230.355 2.511 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC001262195033 992787950 /nfs/dbraw/zinc/78/79/50/992787950.db2.gz MDWJMPVQBXWROM-BPKFXHHPSA-N 2 2 230.355 2.511 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C2CCC1(C[NH3+])CC2 ZINC001576301659 993256666 /nfs/dbraw/zinc/25/66/66/993256666.db2.gz OTOTUDPVLOMECR-VCANKDNSSA-N 2 2 248.345 2.842 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@H+]1C2CCC1(C[NH3+])CC2 ZINC001576301659 993256678 /nfs/dbraw/zinc/25/66/78/993256678.db2.gz OTOTUDPVLOMECR-VCANKDNSSA-N 2 2 248.345 2.842 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+][C@H](CC[NH3+])C(F)F ZINC001576435374 993308299 /nfs/dbraw/zinc/30/82/99/993308299.db2.gz YWCLBGYGTFAPBA-ZJUUUORDSA-N 2 2 234.334 2.527 20 0 BFADLP CC(C)Oc1ccc[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000382434704 993459814 /nfs/dbraw/zinc/45/98/14/993459814.db2.gz UQARAPMTORGRBX-NEPJUHHUSA-N 2 2 249.358 2.551 20 0 BFADLP CCCc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC001577608618 993693265 /nfs/dbraw/zinc/69/32/65/993693265.db2.gz JCXURWPFSSFMRT-NSHDSACASA-N 2 2 238.400 2.542 20 0 BFADLP Cc1[nH]c(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000724792864 994078372 /nfs/dbraw/zinc/07/83/72/994078372.db2.gz HCWBSTUTVLKZTF-OUJBWJOFSA-N 2 2 235.375 2.941 20 0 BFADLP Cc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cs1 ZINC000296244883 178022887 /nfs/dbraw/zinc/02/28/87/178022887.db2.gz CRYYKTVHEGSAHK-LLVKDONJSA-N 2 2 249.383 2.679 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000049687030 178040510 /nfs/dbraw/zinc/04/05/10/178040510.db2.gz JUEAYFROPHSSFE-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000049687030 178040512 /nfs/dbraw/zinc/04/05/12/178040512.db2.gz JUEAYFROPHSSFE-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP [NH3+][C@H](C[NH2+][C@@H]1CCC12CCC2)c1ccccc1 ZINC000423233240 398165241 /nfs/dbraw/zinc/16/52/41/398165241.db2.gz DEPPIJGOIPFVDM-ZIAGYGMSSA-N 2 2 230.355 2.609 20 0 BFADLP Cc1cc(NCC[NH+](C)C)c2cccc(F)c2[nH+]1 ZINC000271406141 178160027 /nfs/dbraw/zinc/16/00/27/178160027.db2.gz WPCMEFYRBOOOGW-UHFFFAOYSA-N 2 2 247.317 2.656 20 0 BFADLP Cc1cc(NCCc2cc[nH+]cc2C)cc[nH+]1 ZINC000274892489 178163610 /nfs/dbraw/zinc/16/36/10/178163610.db2.gz JQGNFIFBQQIBHZ-UHFFFAOYSA-N 2 2 227.311 2.748 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCC1 ZINC000449195693 398224026 /nfs/dbraw/zinc/22/40/26/398224026.db2.gz RHPXIMYTCZLWIC-TUKIKUTGSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCC1 ZINC000449195693 398224030 /nfs/dbraw/zinc/22/40/30/398224030.db2.gz RHPXIMYTCZLWIC-TUKIKUTGSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)o1 ZINC000219258872 178226710 /nfs/dbraw/zinc/22/67/10/178226710.db2.gz QISWFNCXMUBZID-DGCLKSJQSA-N 2 2 236.359 2.641 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c(C)o1 ZINC000219258872 178226711 /nfs/dbraw/zinc/22/67/11/178226711.db2.gz QISWFNCXMUBZID-DGCLKSJQSA-N 2 2 236.359 2.641 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)c(C)s1 ZINC000054764850 178229800 /nfs/dbraw/zinc/22/98/00/178229800.db2.gz MQTYXLYTHZRUHC-SECBINFHSA-N 2 2 235.356 2.939 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)oc1C ZINC000282155324 178230336 /nfs/dbraw/zinc/23/03/36/178230336.db2.gz LJIOSRMYAGYCIG-NWDGAFQWSA-N 2 2 247.342 2.832 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)oc1C ZINC000282240172 178246689 /nfs/dbraw/zinc/24/66/89/178246689.db2.gz PXEPIBUEJMRFKZ-LBPRGKRZSA-N 2 2 247.342 2.834 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)oc1C ZINC000282155322 178254834 /nfs/dbraw/zinc/25/48/34/178254834.db2.gz LJIOSRMYAGYCIG-NEPJUHHUSA-N 2 2 247.342 2.832 20 0 BFADLP Cc1cc[nH+]c(NCCCc2ccc(C)[nH+]c2)c1 ZINC000354173439 178308874 /nfs/dbraw/zinc/30/88/74/178308874.db2.gz IOXFQBPQVXFKCN-UHFFFAOYSA-N 2 2 241.338 2.560 20 0 BFADLP C[C@H](Nc1cc(C2CC2)cc[nH+]1)c1[nH]cc[nH+]1 ZINC000290299859 538946975 /nfs/dbraw/zinc/94/69/75/538946975.db2.gz YQRNWIWKQCAIOA-VIFPVBQESA-N 2 2 228.299 2.855 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000344359637 136231827 /nfs/dbraw/zinc/23/18/27/136231827.db2.gz PVTRTPYNVWXJHE-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000344359637 136231828 /nfs/dbraw/zinc/23/18/28/136231828.db2.gz PVTRTPYNVWXJHE-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040671827 538972244 /nfs/dbraw/zinc/97/22/44/538972244.db2.gz AIMSTFVSBZXAAD-HOCLYGCPSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040671827 538972245 /nfs/dbraw/zinc/97/22/45/538972245.db2.gz AIMSTFVSBZXAAD-HOCLYGCPSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000040672360 538972901 /nfs/dbraw/zinc/97/29/01/538972901.db2.gz RMTQHJHFSQQGSI-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000040672360 538972902 /nfs/dbraw/zinc/97/29/02/538972902.db2.gz RMTQHJHFSQQGSI-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075825 538974441 /nfs/dbraw/zinc/97/44/41/538974441.db2.gz LQTCKDUPKSBFCB-HOTGVXAUSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000041075825 538974442 /nfs/dbraw/zinc/97/44/42/538974442.db2.gz LQTCKDUPKSBFCB-HOTGVXAUSA-N 2 2 244.382 2.822 20 0 BFADLP CC[NH+](CC)C[C@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000041677361 538975864 /nfs/dbraw/zinc/97/58/64/538975864.db2.gz GYOJYLYCSHVWEG-NSHDSACASA-N 2 2 246.358 2.705 20 0 BFADLP C[C@H](C[NH2+]CCCCn1cc[nH+]c1)C(C)(C)C ZINC000379729204 538979876 /nfs/dbraw/zinc/97/98/76/538979876.db2.gz GWJIAEQDQOPGPZ-CYBMUJFWSA-N 2 2 237.391 2.935 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000381545678 539003644 /nfs/dbraw/zinc/00/36/44/539003644.db2.gz KEHSOXLUJQNBQO-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000381545678 539003645 /nfs/dbraw/zinc/00/36/45/539003645.db2.gz KEHSOXLUJQNBQO-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000381219114 538996825 /nfs/dbraw/zinc/99/68/25/538996825.db2.gz IMESXJFKYZJJIH-CHWSQXEVSA-N 2 2 226.408 2.600 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC000381219114 538996826 /nfs/dbraw/zinc/99/68/26/538996826.db2.gz IMESXJFKYZJJIH-CHWSQXEVSA-N 2 2 226.408 2.600 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000071197176 361966113 /nfs/dbraw/zinc/96/61/13/361966113.db2.gz CNYGNJLNASZXSL-OAHLLOKOSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000071197176 361966117 /nfs/dbraw/zinc/96/61/17/361966117.db2.gz CNYGNJLNASZXSL-OAHLLOKOSA-N 2 2 232.371 2.567 20 0 BFADLP CCc1oc2ccccc2c1C[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000335860732 398300808 /nfs/dbraw/zinc/30/08/08/398300808.db2.gz GCAZNFDRDILJIL-LLVKDONJSA-N 2 2 244.338 2.528 20 0 BFADLP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H]([NH3+])C1 ZINC000335860732 398300810 /nfs/dbraw/zinc/30/08/10/398300810.db2.gz GCAZNFDRDILJIL-LLVKDONJSA-N 2 2 244.338 2.528 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000134645522 342874769 /nfs/dbraw/zinc/87/47/69/342874769.db2.gz MSQULFSZUMJIAX-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000134645522 342874770 /nfs/dbraw/zinc/87/47/70/342874770.db2.gz MSQULFSZUMJIAX-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@H](C[NH2+][C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000232715619 342879417 /nfs/dbraw/zinc/87/94/17/342879417.db2.gz KRSJEEDWYKEKKY-HOCLYGCPSA-N 2 2 248.414 2.966 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C(\C)Cl)[C@@H](C)C1 ZINC000528417921 398326834 /nfs/dbraw/zinc/32/68/34/398326834.db2.gz VCMWOGSXCZWWHT-MZGZCWAVSA-N 2 2 244.810 2.791 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C(\C)Cl)[C@@H](C)C1 ZINC000528417921 398326836 /nfs/dbraw/zinc/32/68/36/398326836.db2.gz VCMWOGSXCZWWHT-MZGZCWAVSA-N 2 2 244.810 2.791 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C(\C)Cl)[C@@H](C)C1 ZINC000528417921 398326838 /nfs/dbraw/zinc/32/68/38/398326838.db2.gz VCMWOGSXCZWWHT-MZGZCWAVSA-N 2 2 244.810 2.791 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C(\C)Cl)[C@@H](C)C1 ZINC000528417921 398326840 /nfs/dbraw/zinc/32/68/40/398326840.db2.gz VCMWOGSXCZWWHT-MZGZCWAVSA-N 2 2 244.810 2.791 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313256549 259332234 /nfs/dbraw/zinc/33/22/34/259332234.db2.gz YTYSXHUMIWWOHH-CHWSQXEVSA-N 2 2 237.391 2.767 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313261844 259332062 /nfs/dbraw/zinc/33/20/62/259332062.db2.gz JSSXGVGWBHVSTI-TZMCWYRMSA-N 2 2 247.386 2.545 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1 ZINC000313271721 259332591 /nfs/dbraw/zinc/33/25/91/259332591.db2.gz PLLZDYVSUNGYLE-ZDUSSCGKSA-N 2 2 243.354 2.622 20 0 BFADLP CC(C)[N@@H+](C)C[C@@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000290623205 398340480 /nfs/dbraw/zinc/34/04/80/398340480.db2.gz GMXYKQKVDBMPOM-LLVKDONJSA-N 2 2 246.358 2.704 20 0 BFADLP CC(C)[N@H+](C)C[C@@H](C)Nc1[nH]c2ccccc2[nH+]1 ZINC000290623205 398340481 /nfs/dbraw/zinc/34/04/81/398340481.db2.gz GMXYKQKVDBMPOM-LLVKDONJSA-N 2 2 246.358 2.704 20 0 BFADLP CC[C@H](C[NH2+][C@H](C(C)C)C1CC1)[NH+]1CCCC1 ZINC000151714454 323024960 /nfs/dbraw/zinc/02/49/60/323024960.db2.gz SRXJOJHHSWTZHA-HUUCEWRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000019960365 342964830 /nfs/dbraw/zinc/96/48/30/342964830.db2.gz UIYZXEBWUAYLDP-GXTWGEPZSA-N 2 2 248.370 2.527 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000019960365 342964831 /nfs/dbraw/zinc/96/48/31/342964831.db2.gz UIYZXEBWUAYLDP-GXTWGEPZSA-N 2 2 248.370 2.527 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC000019959911 342964872 /nfs/dbraw/zinc/96/48/72/342964872.db2.gz IGAVCMDQJFJTSD-DZGCQCFKSA-N 2 2 232.371 2.822 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1 ZINC000019959911 342964874 /nfs/dbraw/zinc/96/48/74/342964874.db2.gz IGAVCMDQJFJTSD-DZGCQCFKSA-N 2 2 232.371 2.822 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[NH+](C)C ZINC000302715775 323029193 /nfs/dbraw/zinc/02/91/93/323029193.db2.gz ZHXHHVRMPBTUSS-GBJTYRQASA-N 2 2 238.419 2.741 20 0 BFADLP Cc1cc(C[NH2+]CC[NH+]2CCCC2)c(C)s1 ZINC000049685136 343114744 /nfs/dbraw/zinc/11/47/44/343114744.db2.gz OSSREDVXBQZLGH-UHFFFAOYSA-N 2 2 238.400 2.550 20 0 BFADLP c1ccc2c(c1)SCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000232473236 136270906 /nfs/dbraw/zinc/27/09/06/136270906.db2.gz UYEMFZCAOKTKQO-WCQYABFASA-N 2 2 248.395 2.565 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cc(Cl)cs1 ZINC000168832663 343210644 /nfs/dbraw/zinc/21/06/44/343210644.db2.gz LVIYZIYQZLNJON-WPRPVWTQSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cc(Cl)cs1 ZINC000168832663 343210645 /nfs/dbraw/zinc/21/06/45/343210645.db2.gz LVIYZIYQZLNJON-WPRPVWTQSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](C)c1ccccc1 ZINC000035275270 343291861 /nfs/dbraw/zinc/29/18/61/343291861.db2.gz ISVMDQHHEFJSMN-UONOGXRCSA-N 2 2 243.354 2.665 20 0 BFADLP Cc1ccc([C@H]([NH2+]C[C@H](C)[NH+](C)C)C2CC2)cc1 ZINC000038087641 343369817 /nfs/dbraw/zinc/36/98/17/343369817.db2.gz CZSFGGWVQREHKN-BBRMVZONSA-N 2 2 246.398 2.986 20 0 BFADLP Cc1ccc(C2CC([NH2+]C[C@H](C)[NH+](C)C)C2)cc1 ZINC000038087760 343369929 /nfs/dbraw/zinc/36/99/29/343369929.db2.gz IYYDTBOSWPLMGE-JEYLPNPQSA-N 2 2 246.398 2.781 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1ccccc1F ZINC000037157872 343337309 /nfs/dbraw/zinc/33/73/09/343337309.db2.gz PJUVGARTUDQSBD-RYUDHWBXSA-N 2 2 247.317 2.762 20 0 BFADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000037786337 343355146 /nfs/dbraw/zinc/35/51/46/343355146.db2.gz FZIOGYYWYQMAIW-UHFFFAOYSA-N 2 2 236.359 2.632 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1C[C@H]1C(F)F ZINC000348999992 136315086 /nfs/dbraw/zinc/31/50/86/136315086.db2.gz GPINFCFZULUBRB-NEPJUHHUSA-N 2 2 240.297 2.566 20 0 BFADLP C[C@H]1CC[N@H+](CC2(C)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000335703489 136334785 /nfs/dbraw/zinc/33/47/85/136334785.db2.gz KRRBLXWMRAAIJO-KBPBESRZSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1CC[N@@H+](CC2(C)CCC2)C[C@@H]1n1cc[nH+]c1 ZINC000335703489 136334786 /nfs/dbraw/zinc/33/47/86/136334786.db2.gz KRRBLXWMRAAIJO-KBPBESRZSA-N 2 2 247.386 2.956 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000042321308 343434397 /nfs/dbraw/zinc/43/43/97/343434397.db2.gz LXXFGEXLEQBQFV-CQSZACIVSA-N 2 2 243.354 2.678 20 0 BFADLP Cc1ccccc1C[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070975829 343579528 /nfs/dbraw/zinc/57/95/28/343579528.db2.gz DBNDHGFVARXBKJ-INIZCTEOSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1ccccc1C[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070975829 343579530 /nfs/dbraw/zinc/57/95/30/343579530.db2.gz DBNDHGFVARXBKJ-INIZCTEOSA-N 2 2 246.398 2.957 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434228 343734926 /nfs/dbraw/zinc/73/49/26/343734926.db2.gz KHFPVLKXCRSABZ-NWDGAFQWSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434228 343734927 /nfs/dbraw/zinc/73/49/27/343734927.db2.gz KHFPVLKXCRSABZ-NWDGAFQWSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434230 343735260 /nfs/dbraw/zinc/73/52/60/343735260.db2.gz KHFPVLKXCRSABZ-VXGBXAGGSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434230 343735262 /nfs/dbraw/zinc/73/52/62/343735262.db2.gz KHFPVLKXCRSABZ-VXGBXAGGSA-N 2 2 233.359 2.594 20 0 BFADLP CC(C)(C)CCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625435444 343736695 /nfs/dbraw/zinc/73/66/95/343736695.db2.gz QPQMSCPQJGCNBR-UHFFFAOYSA-N 2 2 221.348 2.594 20 0 BFADLP CC(C)(C)CCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625435444 343736696 /nfs/dbraw/zinc/73/66/96/343736696.db2.gz QPQMSCPQJGCNBR-UHFFFAOYSA-N 2 2 221.348 2.594 20 0 BFADLP CC[C@H]([NH2+]CC[NH+](CC)CC)C1CCCC1 ZINC000387660319 346996807 /nfs/dbraw/zinc/99/68/07/346996807.db2.gz NAPNJNJAQULFCJ-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000082857566 133506587 /nfs/dbraw/zinc/50/65/87/133506587.db2.gz QRKNMZSPZNFYGO-FRRDWIJNSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348089694 537830320 /nfs/dbraw/zinc/83/03/20/537830320.db2.gz UIZRFZXRTZYIEQ-VHDGCEQUSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348089694 537830330 /nfs/dbraw/zinc/83/03/30/537830330.db2.gz UIZRFZXRTZYIEQ-VHDGCEQUSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000179954777 347005212 /nfs/dbraw/zinc/00/52/12/347005212.db2.gz IWLRVEWJLPQRRE-UHFFFAOYSA-N 2 2 229.327 2.709 20 0 BFADLP CC1(C)CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000179954777 347005216 /nfs/dbraw/zinc/00/52/16/347005216.db2.gz IWLRVEWJLPQRRE-UHFFFAOYSA-N 2 2 229.327 2.709 20 0 BFADLP CC1(C)CCC(C)(C)[N@H+](CCn2cc[nH+]c2)C1 ZINC000625723517 344056744 /nfs/dbraw/zinc/05/67/44/344056744.db2.gz RHZGLBANJHWEGV-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CC1(C)CCC(C)(C)[N@@H+](CCn2cc[nH+]c2)C1 ZINC000625723517 344056746 /nfs/dbraw/zinc/05/67/46/344056746.db2.gz RHZGLBANJHWEGV-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000573339388 344101812 /nfs/dbraw/zinc/10/18/12/344101812.db2.gz LRXUAIGJSZLGMO-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000573339390 344102156 /nfs/dbraw/zinc/10/21/56/344102156.db2.gz LRXUAIGJSZLGMO-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP Cn1cc[nH+]c1CNc1cc(C(C)(C)C)cc[nH+]1 ZINC000641345489 362372029 /nfs/dbraw/zinc/37/20/29/362372029.db2.gz XZQAECNKUGRRKC-UHFFFAOYSA-N 2 2 244.342 2.725 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000043326272 344488588 /nfs/dbraw/zinc/48/85/88/344488588.db2.gz ZNZXFOVHHXFWCO-BDAKNGLRSA-N 2 2 244.791 2.804 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000043327621 344489218 /nfs/dbraw/zinc/48/92/18/344489218.db2.gz XXJZJYOEUKOOBH-GHMZBOCLSA-N 2 2 224.373 2.541 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100765 344537487 /nfs/dbraw/zinc/53/74/87/344537487.db2.gz CXHMZXGOFLUAIZ-HZSPNIEDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100765 344537489 /nfs/dbraw/zinc/53/74/89/344537489.db2.gz CXHMZXGOFLUAIZ-HZSPNIEDSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)n1C ZINC000577888466 344645141 /nfs/dbraw/zinc/64/51/41/344645141.db2.gz UEWHQERFWDQTEX-MISXGVKJSA-N 2 2 235.375 2.643 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152741219 344685959 /nfs/dbraw/zinc/68/59/59/344685959.db2.gz YJMJSAVMVCMWLL-OLZOCXBDSA-N 2 2 249.402 2.786 20 0 BFADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC000152806343 344699861 /nfs/dbraw/zinc/69/98/61/344699861.db2.gz KQHDKSOGWRVAOO-LBPRGKRZSA-N 2 2 249.402 2.786 20 0 BFADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C(C)(C)C ZINC000152806447 344699872 /nfs/dbraw/zinc/69/98/72/344699872.db2.gz KQHDKSOGWRVAOO-GFCCVEGCSA-N 2 2 249.402 2.786 20 0 BFADLP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153702970 344956753 /nfs/dbraw/zinc/95/67/53/344956753.db2.gz GUPDJSJRJQFJAB-CHWSQXEVSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000153702970 344956758 /nfs/dbraw/zinc/95/67/58/344956758.db2.gz GUPDJSJRJQFJAB-CHWSQXEVSA-N 2 2 224.392 2.637 20 0 BFADLP C[N@H+](CCn1cc[nH+]c1)C1CCCCCC1 ZINC000179313036 323081910 /nfs/dbraw/zinc/08/19/10/323081910.db2.gz NVFHNCPZJWCFHX-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP C[N@@H+](CCn1cc[nH+]c1)C1CCCCCC1 ZINC000179313036 323081911 /nfs/dbraw/zinc/08/19/11/323081911.db2.gz NVFHNCPZJWCFHX-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1(C)CC1 ZINC000153781484 344973334 /nfs/dbraw/zinc/97/33/34/344973334.db2.gz HFTPGHDCWXBXAN-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1(C)CC1 ZINC000153781484 344973337 /nfs/dbraw/zinc/97/33/37/344973337.db2.gz HFTPGHDCWXBXAN-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000153796459 344975760 /nfs/dbraw/zinc/97/57/60/344975760.db2.gz DLBXXJMXCWGPDS-UKRRQHHQSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000153796459 344975764 /nfs/dbraw/zinc/97/57/64/344975764.db2.gz DLBXXJMXCWGPDS-UKRRQHHQSA-N 2 2 236.403 2.782 20 0 BFADLP CCC(CC)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000153888190 344993298 /nfs/dbraw/zinc/99/32/98/344993298.db2.gz RSRVTNYGVQFJCR-OAHLLOKOSA-N 2 2 238.419 2.983 20 0 BFADLP CCC(CC)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000153888190 344993301 /nfs/dbraw/zinc/99/33/01/344993301.db2.gz RSRVTNYGVQFJCR-OAHLLOKOSA-N 2 2 238.419 2.983 20 0 BFADLP CCC(CC)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000153888096 344993318 /nfs/dbraw/zinc/99/33/18/344993318.db2.gz RSRVTNYGVQFJCR-HNNXBMFYSA-N 2 2 238.419 2.983 20 0 BFADLP CCC(CC)C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000153888096 344993320 /nfs/dbraw/zinc/99/33/20/344993320.db2.gz RSRVTNYGVQFJCR-HNNXBMFYSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000319015155 259382291 /nfs/dbraw/zinc/38/22/91/259382291.db2.gz PZJOYHRLQQKAKO-SCRDCRAPSA-N 2 2 220.360 2.711 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000319015156 259381974 /nfs/dbraw/zinc/38/19/74/259381974.db2.gz PZJOYHRLQQKAKO-SGMGOOAPSA-N 2 2 220.360 2.711 20 0 BFADLP c1csc([C@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)c1 ZINC000634991493 345177638 /nfs/dbraw/zinc/17/76/38/345177638.db2.gz GQPPQOMUXDZFJS-MBHSVXNSSA-N 2 2 248.395 2.637 20 0 BFADLP c1csc([C@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)c1 ZINC000634991493 345177639 /nfs/dbraw/zinc/17/76/39/345177639.db2.gz GQPPQOMUXDZFJS-MBHSVXNSSA-N 2 2 248.395 2.637 20 0 BFADLP CC(C)C[C@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993581 345190607 /nfs/dbraw/zinc/19/06/07/345190607.db2.gz YQPATCSKHUKWKW-SHARSMKWSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)C[C@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993581 345190609 /nfs/dbraw/zinc/19/06/09/345190609.db2.gz YQPATCSKHUKWKW-SHARSMKWSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C(C)C)C1CC1)[NH+](C)C ZINC000131895128 345311102 /nfs/dbraw/zinc/31/11/02/345311102.db2.gz CNVQJDGLALVVTI-HUUCEWRRSA-N 2 2 240.435 2.987 20 0 BFADLP FC(F)(F)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959837 345455605 /nfs/dbraw/zinc/45/56/05/345455605.db2.gz PDTHYASGXIVFSX-SECBINFHSA-N 2 2 247.264 2.542 20 0 BFADLP FC(F)(F)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080959837 345455607 /nfs/dbraw/zinc/45/56/07/345455607.db2.gz PDTHYASGXIVFSX-SECBINFHSA-N 2 2 247.264 2.542 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C(C)C)C1CC1 ZINC000090847512 345577603 /nfs/dbraw/zinc/57/76/03/345577603.db2.gz XZRSHUGKWVYSMG-HNNXBMFYSA-N 2 2 232.371 2.957 20 0 BFADLP Cc1ccoc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073298 345615538 /nfs/dbraw/zinc/61/55/38/345615538.db2.gz GXNBLKRVBSJPJE-LBPRGKRZSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1ccoc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000092073298 345615540 /nfs/dbraw/zinc/61/55/40/345615540.db2.gz GXNBLKRVBSJPJE-LBPRGKRZSA-N 2 2 245.326 2.691 20 0 BFADLP CC(C)CC[C@@H]([NH2+]CC[NH+](C)C)C(C)(C)C ZINC000390261774 259384115 /nfs/dbraw/zinc/38/41/15/259384115.db2.gz OAPQGNYWPLYSQD-CYBMUJFWSA-N 2 2 228.424 2.989 20 0 BFADLP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000563137728 323094850 /nfs/dbraw/zinc/09/48/50/323094850.db2.gz MAOWWJLEXYEMAA-FRRDWIJNSA-N 2 2 224.392 2.624 20 0 BFADLP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000563137728 323094851 /nfs/dbraw/zinc/09/48/51/323094851.db2.gz MAOWWJLEXYEMAA-FRRDWIJNSA-N 2 2 224.392 2.624 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000628210464 345811848 /nfs/dbraw/zinc/81/18/48/345811848.db2.gz YDGKRKMOFHDBPC-GDBMZVCRSA-N 2 2 246.398 2.782 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000628210464 345811850 /nfs/dbraw/zinc/81/18/50/345811850.db2.gz YDGKRKMOFHDBPC-GDBMZVCRSA-N 2 2 246.398 2.782 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000070562777 345775829 /nfs/dbraw/zinc/77/58/29/345775829.db2.gz JPXGYGKQLIGVKS-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000070562777 345775832 /nfs/dbraw/zinc/77/58/32/345775832.db2.gz JPXGYGKQLIGVKS-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC1(C)CC1 ZINC000381459556 345943768 /nfs/dbraw/zinc/94/37/68/345943768.db2.gz KOCXFCMLBXDJCP-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC1(C)CC1 ZINC000381459556 345943770 /nfs/dbraw/zinc/94/37/70/345943770.db2.gz KOCXFCMLBXDJCP-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C/C=C\C[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000626162879 346274373 /nfs/dbraw/zinc/27/43/73/346274373.db2.gz AAFKESLIRCJDJV-GWQWAINWSA-N 2 2 247.386 2.951 20 0 BFADLP C/C=C\C[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000626162879 346274374 /nfs/dbraw/zinc/27/43/74/346274374.db2.gz AAFKESLIRCJDJV-GWQWAINWSA-N 2 2 247.386 2.951 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000628285923 346297633 /nfs/dbraw/zinc/29/76/33/346297633.db2.gz MXXUKUNXFQWHSO-ZIAGYGMSSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000628285923 346297635 /nfs/dbraw/zinc/29/76/35/346297635.db2.gz MXXUKUNXFQWHSO-ZIAGYGMSSA-N 2 2 247.386 2.915 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000641755600 362680966 /nfs/dbraw/zinc/68/09/66/362680966.db2.gz NNUOXBJBHUNDSC-FRRDWIJNSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000641755600 362680969 /nfs/dbraw/zinc/68/09/69/362680969.db2.gz NNUOXBJBHUNDSC-FRRDWIJNSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000641755602 362681544 /nfs/dbraw/zinc/68/15/44/362681544.db2.gz NNUOXBJBHUNDSC-UPJWGTAASA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000641755602 362681545 /nfs/dbraw/zinc/68/15/45/362681545.db2.gz NNUOXBJBHUNDSC-UPJWGTAASA-N 2 2 247.386 2.825 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c1 ZINC000272698293 179082002 /nfs/dbraw/zinc/08/20/02/179082002.db2.gz YFUDJSGOWHSMJN-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272698293 179082004 /nfs/dbraw/zinc/08/20/04/179082004.db2.gz YFUDJSGOWHSMJN-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272698293 179082008 /nfs/dbraw/zinc/08/20/08/179082008.db2.gz YFUDJSGOWHSMJN-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)c1 ZINC000272698293 179082011 /nfs/dbraw/zinc/08/20/11/179082011.db2.gz YFUDJSGOWHSMJN-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)c1 ZINC000272698295 179083061 /nfs/dbraw/zinc/08/30/61/179083061.db2.gz YFUDJSGOWHSMJN-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272698295 179083064 /nfs/dbraw/zinc/08/30/64/179083064.db2.gz YFUDJSGOWHSMJN-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272698295 179083065 /nfs/dbraw/zinc/08/30/65/179083065.db2.gz YFUDJSGOWHSMJN-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)c1 ZINC000272698295 179083068 /nfs/dbraw/zinc/08/30/68/179083068.db2.gz YFUDJSGOWHSMJN-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000309527651 347092904 /nfs/dbraw/zinc/09/29/04/347092904.db2.gz CSVWWQWLTIEDJD-MELADBBJSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000309527651 347092905 /nfs/dbraw/zinc/09/29/05/347092905.db2.gz CSVWWQWLTIEDJD-MELADBBJSA-N 2 2 226.408 2.883 20 0 BFADLP Cc1cccc(C[NH2+][C@@H](C)CC[NH+](C)C)c1F ZINC000295301930 179096219 /nfs/dbraw/zinc/09/62/19/179096219.db2.gz XSQOSBSAUNVRKM-LBPRGKRZSA-N 2 2 238.350 2.564 20 0 BFADLP Cc1cccc(C[NH2+][C@H](C)CC[NH+](C)C)c1F ZINC000295301925 179099966 /nfs/dbraw/zinc/09/99/66/179099966.db2.gz XSQOSBSAUNVRKM-GFCCVEGCSA-N 2 2 238.350 2.564 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(C)(C)C ZINC000580084151 346516234 /nfs/dbraw/zinc/51/62/34/346516234.db2.gz MEVLXXYGYTZSHX-TUAOUCFPSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C(C)(C)C ZINC000580084151 346516237 /nfs/dbraw/zinc/51/62/37/346516237.db2.gz MEVLXXYGYTZSHX-TUAOUCFPSA-N 2 2 224.392 2.636 20 0 BFADLP CC[C@@H](C[NH2+][C@@H]1CCCC12CC2)[NH+]1CCCC1 ZINC000580097708 346523096 /nfs/dbraw/zinc/52/30/96/346523096.db2.gz XABBPNYNUIKKAB-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cccc(N2CCC[N@@H+](C(C)(C)C)CC2)[nH+]1 ZINC000336282980 179121860 /nfs/dbraw/zinc/12/18/60/179121860.db2.gz CMCXUZQURDLGIS-UHFFFAOYSA-N 2 2 247.386 2.701 20 0 BFADLP Cc1cccc(N2CCC[N@H+](C(C)(C)C)CC2)[nH+]1 ZINC000336282980 179121863 /nfs/dbraw/zinc/12/18/63/179121863.db2.gz CMCXUZQURDLGIS-UHFFFAOYSA-N 2 2 247.386 2.701 20 0 BFADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCCCC1 ZINC000178221587 346661044 /nfs/dbraw/zinc/66/10/44/346661044.db2.gz GSEXUGUGYVYWSP-CQSZACIVSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1cccc(NC[C@@H]2CCCC[N@H+]2C2CC2)[nH+]1 ZINC000277480297 179145909 /nfs/dbraw/zinc/14/59/09/179145909.db2.gz QZHWKKVYFOJQQF-AWEZNQCLSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cccc(N[C@H](C[NH3+])C2CCCCC2)[nH+]1 ZINC000130875135 179158174 /nfs/dbraw/zinc/15/81/74/179158174.db2.gz RLKVPSYQYVVEEP-CYBMUJFWSA-N 2 2 233.359 2.710 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)CC(C)C ZINC000301010056 347327763 /nfs/dbraw/zinc/32/77/63/347327763.db2.gz YPNSCQYLZIBOSB-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](C)CC(C)C ZINC000301010056 347327765 /nfs/dbraw/zinc/32/77/65/347327765.db2.gz YPNSCQYLZIBOSB-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)C1CCCCC1 ZINC000020073155 347402800 /nfs/dbraw/zinc/40/28/00/347402800.db2.gz CPJBHPJYUXFGHP-LBPRGKRZSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)C1CCCCC1 ZINC000020073155 347402803 /nfs/dbraw/zinc/40/28/03/347402803.db2.gz CPJBHPJYUXFGHP-LBPRGKRZSA-N 2 2 212.381 2.624 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CC[NH+](C)C ZINC000286882121 179221903 /nfs/dbraw/zinc/22/19/03/179221903.db2.gz CMTQFOGGKPCYBM-JSGCOSHPSA-N 2 2 232.371 2.695 20 0 BFADLP Cc1ccccc1C1CC([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000168542982 179256499 /nfs/dbraw/zinc/25/64/99/179256499.db2.gz OADLRWDZQMBFCS-NFOMZHRRSA-N 2 2 246.398 2.781 20 0 BFADLP CC[C@H]1CCCC[C@H]1C[NH2+]C[C@H](C)[NH+](C)C ZINC000628300018 347808145 /nfs/dbraw/zinc/80/81/45/347808145.db2.gz KXJNMBVPUKCPTO-IHRRRGAJSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC000160377558 347828983 /nfs/dbraw/zinc/82/89/83/347828983.db2.gz CRCSDXUOZGKTFV-HNNXBMFYSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1c(C)cccc1C ZINC000160377558 347828987 /nfs/dbraw/zinc/82/89/87/347828987.db2.gz CRCSDXUOZGKTFV-HNNXBMFYSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H]3CC[C@@H]3C)c[nH+]c12 ZINC000336549007 179353568 /nfs/dbraw/zinc/35/35/68/179353568.db2.gz SATNZQOKWLCHGF-GWCFXTLKSA-N 2 2 229.327 2.531 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000397812970 362917442 /nfs/dbraw/zinc/91/74/42/362917442.db2.gz ZEDDWJWPZUJBDU-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccsc1C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000336725035 179550014 /nfs/dbraw/zinc/55/00/14/179550014.db2.gz BHHRDNUZBDCOIU-RYUDHWBXSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1ccsc1C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000336725035 179550017 /nfs/dbraw/zinc/55/00/17/179550017.db2.gz BHHRDNUZBDCOIU-RYUDHWBXSA-N 2 2 238.400 2.629 20 0 BFADLP C[C@@H]1CC([NH2+]CC(C)(C)[NH+](C)C)C[C@@H](C)C1 ZINC000082829488 348820353 /nfs/dbraw/zinc/82/03/53/348820353.db2.gz VTMYWPLXHRBBMB-RYUDHWBXSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000070562272 323199904 /nfs/dbraw/zinc/19/99/04/323199904.db2.gz BXDMEGDRNWDIOT-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000070562269 323200018 /nfs/dbraw/zinc/20/00/18/323200018.db2.gz BXDMEGDRNWDIOT-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCn1cc[nH+]c1 ZINC000245648689 349084851 /nfs/dbraw/zinc/08/48/51/349084851.db2.gz BVHCHKQULQMKEE-HZSPNIEDSA-N 2 2 233.359 2.536 20 0 BFADLP C[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCn1cc[nH+]c1 ZINC000245648689 349084853 /nfs/dbraw/zinc/08/48/53/349084853.db2.gz BVHCHKQULQMKEE-HZSPNIEDSA-N 2 2 233.359 2.536 20 0 BFADLP CC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248376099 349126986 /nfs/dbraw/zinc/12/69/86/349126986.db2.gz ZGEUUHJKNFDWQN-AVGNSLFASA-N 2 2 221.348 2.565 20 0 BFADLP CC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000248376099 349126992 /nfs/dbraw/zinc/12/69/92/349126992.db2.gz ZGEUUHJKNFDWQN-AVGNSLFASA-N 2 2 221.348 2.565 20 0 BFADLP c1cc(C[NH2+][C@H]2CCCC[NH2+]C2)cc(C2CC2)c1 ZINC000422555946 192426644 /nfs/dbraw/zinc/42/66/44/192426644.db2.gz ROHFCEHLOPTFBW-INIZCTEOSA-N 2 2 244.382 2.796 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)CC1CC1 ZINC000132357419 191030286 /nfs/dbraw/zinc/03/02/86/191030286.db2.gz KLDJABFMENNPOR-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)C[N@@H+]1C1CC1 ZINC000132724686 191035032 /nfs/dbraw/zinc/03/50/32/191035032.db2.gz WHVAYQZQXGBUNY-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)C[N@H+]1C1CC1 ZINC000132724686 191035035 /nfs/dbraw/zinc/03/50/35/191035035.db2.gz WHVAYQZQXGBUNY-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C[N@@H+]1C1CC1 ZINC000132724904 191035422 /nfs/dbraw/zinc/03/54/22/191035422.db2.gz WHVAYQZQXGBUNY-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C[N@H+]1C1CC1 ZINC000132724904 191035425 /nfs/dbraw/zinc/03/54/25/191035425.db2.gz WHVAYQZQXGBUNY-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H]1C)[NH+](C)C ZINC000083390062 350193114 /nfs/dbraw/zinc/19/31/14/350193114.db2.gz KARCXWHETZNROE-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000083390773 350194465 /nfs/dbraw/zinc/19/44/65/350194465.db2.gz MQNVKAGOGVTUDT-KGLIPLIRSA-N 2 2 224.392 2.641 20 0 BFADLP CCCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000605150742 350261018 /nfs/dbraw/zinc/26/10/18/350261018.db2.gz WDRJGQPSCJKHCD-ZDUSSCGKSA-N 2 2 221.348 2.710 20 0 BFADLP CCCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000605150742 350261020 /nfs/dbraw/zinc/26/10/20/350261020.db2.gz WDRJGQPSCJKHCD-ZDUSSCGKSA-N 2 2 221.348 2.710 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000070562190 350536357 /nfs/dbraw/zinc/53/63/57/350536357.db2.gz VLMUAUARXCRJEY-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000070558525 350538100 /nfs/dbraw/zinc/53/81/00/350538100.db2.gz BZBYKPUMCXVPGX-KBPBESRZSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000070558526 350538131 /nfs/dbraw/zinc/53/81/31/350538131.db2.gz BZBYKPUMCXVPGX-ZIAGYGMSSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337517619 350593275 /nfs/dbraw/zinc/59/32/75/350593275.db2.gz MWGZFXHAIYEQHG-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337517619 350593276 /nfs/dbraw/zinc/59/32/76/350593276.db2.gz MWGZFXHAIYEQHG-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337986890 350660047 /nfs/dbraw/zinc/66/00/47/350660047.db2.gz CNUXQHGQGOJUJL-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337986890 350660049 /nfs/dbraw/zinc/66/00/49/350660049.db2.gz CNUXQHGQGOJUJL-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP CC[NH+](CC)CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000019919218 350851766 /nfs/dbraw/zinc/85/17/66/350851766.db2.gz LRLRHDYLPVDHNN-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[NH+](CC)CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000019919223 350851856 /nfs/dbraw/zinc/85/18/56/350851856.db2.gz LRLRHDYLPVDHNN-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccsc1 ZINC000250321981 350878858 /nfs/dbraw/zinc/87/88/58/350878858.db2.gz NGFSOWVFNHFLRL-DGCLKSJQSA-N 2 2 238.400 2.883 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccsc1 ZINC000250321981 350878864 /nfs/dbraw/zinc/87/88/64/350878864.db2.gz NGFSOWVFNHFLRL-DGCLKSJQSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@H]1CCCC[C@@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000628338252 351282506 /nfs/dbraw/zinc/28/25/06/351282506.db2.gz FMUCYKILWNJELO-LSDHHAIUSA-N 2 2 238.419 2.696 20 0 BFADLP CC[C@H]1CCCC[C@@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000628338252 351282510 /nfs/dbraw/zinc/28/25/10/351282510.db2.gz FMUCYKILWNJELO-LSDHHAIUSA-N 2 2 238.419 2.696 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414792942 351772775 /nfs/dbraw/zinc/77/27/75/351772775.db2.gz JJURJBIQDXWFMQ-LBPRGKRZSA-N 2 2 244.741 2.552 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000336733868 351885717 /nfs/dbraw/zinc/88/57/17/351885717.db2.gz KJPYQAAISNOWFA-CHWSQXEVSA-N 2 2 223.364 2.688 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000045041889 352663623 /nfs/dbraw/zinc/66/36/23/352663623.db2.gz DJFODBKSCHEDIO-OAHLLOKOSA-N 2 2 232.371 2.652 20 0 BFADLP Cc1ccc(C[N@H+](C)CC[NH2+]C(C)(C)C)cc1 ZINC000042409431 352622617 /nfs/dbraw/zinc/62/26/17/352622617.db2.gz QHHQHWWZQFRLBC-UHFFFAOYSA-N 2 2 234.387 2.815 20 0 BFADLP Cc1ccc(C[N@@H+](C)CC[NH2+]C(C)(C)C)cc1 ZINC000042409431 352622618 /nfs/dbraw/zinc/62/26/18/352622618.db2.gz QHHQHWWZQFRLBC-UHFFFAOYSA-N 2 2 234.387 2.815 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000043326702 352637413 /nfs/dbraw/zinc/63/74/13/352637413.db2.gz TWSVTXACALQMDG-KBPBESRZSA-N 2 2 232.371 2.706 20 0 BFADLP CC[N@H+](CCCn1cc[nH+]c1)Cc1occc1C ZINC000412031493 191241741 /nfs/dbraw/zinc/24/17/41/191241741.db2.gz YDOSGVLGTSBADM-UHFFFAOYSA-N 2 2 247.342 2.697 20 0 BFADLP CC[N@@H+](CCCn1cc[nH+]c1)Cc1occc1C ZINC000412031493 191241743 /nfs/dbraw/zinc/24/17/43/191241743.db2.gz YDOSGVLGTSBADM-UHFFFAOYSA-N 2 2 247.342 2.697 20 0 BFADLP C/C=C/C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000232469334 352724052 /nfs/dbraw/zinc/72/40/52/352724052.db2.gz DASCSQPCQACJRQ-KZSQQDEKSA-N 2 2 244.382 2.817 20 0 BFADLP C/C=C/C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000232469334 352724057 /nfs/dbraw/zinc/72/40/57/352724057.db2.gz DASCSQPCQACJRQ-KZSQQDEKSA-N 2 2 244.382 2.817 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000334217387 352817988 /nfs/dbraw/zinc/81/79/88/352817988.db2.gz WPOZNPMZRMKYQH-GXSJLCMTSA-N 2 2 247.367 2.679 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000334217387 352817989 /nfs/dbraw/zinc/81/79/89/352817989.db2.gz WPOZNPMZRMKYQH-GXSJLCMTSA-N 2 2 247.367 2.679 20 0 BFADLP CC[C@]1(C)CC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000342899505 352914305 /nfs/dbraw/zinc/91/43/05/352914305.db2.gz FBIWCQFWVOEZER-OAHLLOKOSA-N 2 2 243.354 2.956 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000342915698 352917673 /nfs/dbraw/zinc/91/76/73/352917673.db2.gz GBMCJCKYWHVDGD-GJZGRUSLSA-N 2 2 246.398 2.720 20 0 BFADLP CCc1cc(N[C@@H](CC)c2[nH]cc[nH+]2)nc(C)[nH+]1 ZINC000139801050 538106548 /nfs/dbraw/zinc/10/65/48/538106548.db2.gz RENSPJWBLNCJLK-NSHDSACASA-N 2 2 245.330 2.634 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000334375932 353032182 /nfs/dbraw/zinc/03/21/82/353032182.db2.gz DULUPMJLJJXPSU-SMDDNHRTSA-N 2 2 236.334 2.700 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1 ZINC000334375932 353032186 /nfs/dbraw/zinc/03/21/86/353032186.db2.gz DULUPMJLJJXPSU-SMDDNHRTSA-N 2 2 236.334 2.700 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)Cc1cccc(F)c1 ZINC000020293325 188073687 /nfs/dbraw/zinc/07/36/87/188073687.db2.gz CEIXLUPCXSSQSL-AWEZNQCLSA-N 2 2 238.350 2.631 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(F)c1 ZINC000020293325 188073688 /nfs/dbraw/zinc/07/36/88/188073688.db2.gz CEIXLUPCXSSQSL-AWEZNQCLSA-N 2 2 238.350 2.631 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccco2)C[C@H]1C ZINC000353752321 353194688 /nfs/dbraw/zinc/19/46/88/353194688.db2.gz SDQUTOPAHGKXFW-OLZOCXBDSA-N 2 2 236.359 2.584 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccco2)C[C@H]1C ZINC000353752321 353194692 /nfs/dbraw/zinc/19/46/92/353194692.db2.gz SDQUTOPAHGKXFW-OLZOCXBDSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccco2)C[C@H]1C ZINC000353752321 353194693 /nfs/dbraw/zinc/19/46/93/353194693.db2.gz SDQUTOPAHGKXFW-OLZOCXBDSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccco2)C[C@H]1C ZINC000353752321 353194695 /nfs/dbraw/zinc/19/46/95/353194695.db2.gz SDQUTOPAHGKXFW-OLZOCXBDSA-N 2 2 236.359 2.584 20 0 BFADLP CC/C=C/CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000381574111 538111207 /nfs/dbraw/zinc/11/12/07/538111207.db2.gz YYODIBZLOIFICT-GJBLVYBDSA-N 2 2 224.392 2.805 20 0 BFADLP CC/C=C/CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000381574111 538111208 /nfs/dbraw/zinc/11/12/08/538111208.db2.gz YYODIBZLOIFICT-GJBLVYBDSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)[N@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179725639 188167061 /nfs/dbraw/zinc/16/70/61/188167061.db2.gz KZKDQQAXFPQFCX-UHFFFAOYSA-N 2 2 229.327 2.707 20 0 BFADLP CC(C)[N@@H+](Cc1cccc2[nH+]ccn21)C1CC1 ZINC000179725639 188167063 /nfs/dbraw/zinc/16/70/63/188167063.db2.gz KZKDQQAXFPQFCX-UHFFFAOYSA-N 2 2 229.327 2.707 20 0 BFADLP CC(C)C(C[N@@H+]1CCn2c[nH+]cc2C1)C(C)C ZINC000365610063 188180948 /nfs/dbraw/zinc/18/09/48/188180948.db2.gz BUOOAEDAXMAWLS-UHFFFAOYSA-N 2 2 235.375 2.627 20 0 BFADLP CC(C)C(C[N@H+]1CCn2c[nH+]cc2C1)C(C)C ZINC000365610063 188180950 /nfs/dbraw/zinc/18/09/50/188180950.db2.gz BUOOAEDAXMAWLS-UHFFFAOYSA-N 2 2 235.375 2.627 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337992362 188187237 /nfs/dbraw/zinc/18/72/37/188187237.db2.gz YECJFEJOQKITOI-ZIAGYGMSSA-N 2 2 244.398 2.835 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337992362 188187239 /nfs/dbraw/zinc/18/72/39/188187239.db2.gz YECJFEJOQKITOI-ZIAGYGMSSA-N 2 2 244.398 2.835 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000338005060 188187938 /nfs/dbraw/zinc/18/79/38/188187938.db2.gz VXLOKSFQWMXWDY-GJZGRUSLSA-N 2 2 236.403 2.641 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000122068145 324026293 /nfs/dbraw/zinc/02/62/93/324026293.db2.gz NIDYFXHQZXMGAX-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000122068145 324026298 /nfs/dbraw/zinc/02/62/98/324026298.db2.gz NIDYFXHQZXMGAX-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)=CCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000276636155 188202300 /nfs/dbraw/zinc/20/23/00/188202300.db2.gz PPEAEWKEYVQXNK-UHFFFAOYSA-N 2 2 229.327 2.780 20 0 BFADLP CC(C)(C)[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000094079068 188222662 /nfs/dbraw/zinc/22/26/62/188222662.db2.gz TYOILKZGDAVNJA-UONOGXRCSA-N 2 2 232.371 2.725 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000336774029 353423414 /nfs/dbraw/zinc/42/34/14/353423414.db2.gz ZJHUSMHPRQVXBE-AVGNSLFASA-N 2 2 214.397 2.741 20 0 BFADLP CC/C=C/CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000184502630 535232107 /nfs/dbraw/zinc/23/21/07/535232107.db2.gz AOLUMRJULJIDNB-NHZBNJEXSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C/CC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000184502630 535232112 /nfs/dbraw/zinc/23/21/12/535232112.db2.gz AOLUMRJULJIDNB-NHZBNJEXSA-N 2 2 236.403 2.903 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)Cc1ccc(F)cc1 ZINC000042437132 188439767 /nfs/dbraw/zinc/43/97/67/188439767.db2.gz DDMWBPGDGCPYCK-AWEZNQCLSA-N 2 2 238.350 2.631 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(F)cc1 ZINC000042437132 188439769 /nfs/dbraw/zinc/43/97/69/188439769.db2.gz DDMWBPGDGCPYCK-AWEZNQCLSA-N 2 2 238.350 2.631 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232764352 353760468 /nfs/dbraw/zinc/76/04/68/353760468.db2.gz AOXPSIFGCAFQIT-DOMZBBRYSA-N 2 2 232.371 2.589 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232764352 353760469 /nfs/dbraw/zinc/76/04/69/353760469.db2.gz AOXPSIFGCAFQIT-DOMZBBRYSA-N 2 2 232.371 2.589 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3CC3(C)C)c[nH+]c12 ZINC000343632707 353948638 /nfs/dbraw/zinc/94/86/38/353948638.db2.gz CNIKWZKURRBNCV-GFCCVEGCSA-N 2 2 229.327 2.531 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000334538990 353926710 /nfs/dbraw/zinc/92/67/10/353926710.db2.gz CJBLDCCQVNCSKU-CHWSQXEVSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)CCC[C@H]1C ZINC000334538990 353926711 /nfs/dbraw/zinc/92/67/11/353926711.db2.gz CJBLDCCQVNCSKU-CHWSQXEVSA-N 2 2 235.375 2.702 20 0 BFADLP CC(C)(C)C[NH2+]CCCNc1cccc[nH+]1 ZINC000309697462 491058531 /nfs/dbraw/zinc/05/85/31/491058531.db2.gz RSPHDGKQKJOMEH-UHFFFAOYSA-N 2 2 221.348 2.519 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000344373949 354254912 /nfs/dbraw/zinc/25/49/12/354254912.db2.gz COMORXCLFMBHLD-TUVASFSCSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000344373949 354254913 /nfs/dbraw/zinc/25/49/13/354254913.db2.gz COMORXCLFMBHLD-TUVASFSCSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000344373947 354255306 /nfs/dbraw/zinc/25/53/06/354255306.db2.gz COMORXCLFMBHLD-KBUPBQIOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000344373947 354255308 /nfs/dbraw/zinc/25/53/08/354255308.db2.gz COMORXCLFMBHLD-KBUPBQIOSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c(C)c1 ZINC000344337731 354232918 /nfs/dbraw/zinc/23/29/18/354232918.db2.gz VSELHBKCZYXYCV-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c(C)c1 ZINC000344337731 354232920 /nfs/dbraw/zinc/23/29/20/354232920.db2.gz VSELHBKCZYXYCV-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344344412 354237626 /nfs/dbraw/zinc/23/76/26/354237626.db2.gz DLQBATZTZUODLG-CZUORRHYSA-N 2 2 246.398 2.821 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344344412 354237631 /nfs/dbraw/zinc/23/76/31/354237631.db2.gz DLQBATZTZUODLG-CZUORRHYSA-N 2 2 246.398 2.821 20 0 BFADLP CC(C)CC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC000344765857 354356735 /nfs/dbraw/zinc/35/67/35/354356735.db2.gz AQAJCLWPVAWLPI-KBPBESRZSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)CC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCC1 ZINC000344765857 354356737 /nfs/dbraw/zinc/35/67/37/354356737.db2.gz AQAJCLWPVAWLPI-KBPBESRZSA-N 2 2 238.419 2.743 20 0 BFADLP CCCC[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000379437049 358487240 /nfs/dbraw/zinc/48/72/40/358487240.db2.gz HYGFGYZNUWPUHM-AWEZNQCLSA-N 2 2 224.392 2.807 20 0 BFADLP CCCC[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000379437049 358487247 /nfs/dbraw/zinc/48/72/47/358487247.db2.gz HYGFGYZNUWPUHM-AWEZNQCLSA-N 2 2 224.392 2.807 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000334760827 354581075 /nfs/dbraw/zinc/58/10/75/354581075.db2.gz PGIZYYHESZKOFG-AAEUAGOBSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000334760827 354581078 /nfs/dbraw/zinc/58/10/78/354581078.db2.gz PGIZYYHESZKOFG-AAEUAGOBSA-N 2 2 241.338 2.618 20 0 BFADLP CCCCC[N@H+](CC[NH3+])Cc1ccc(F)cc1 ZINC000345540988 354677476 /nfs/dbraw/zinc/67/74/76/354677476.db2.gz QEYPBZFNTDELSG-UHFFFAOYSA-N 2 2 238.350 2.777 20 0 BFADLP CCCCC[N@@H+](CC[NH3+])Cc1ccc(F)cc1 ZINC000345540988 354677479 /nfs/dbraw/zinc/67/74/79/354677479.db2.gz QEYPBZFNTDELSG-UHFFFAOYSA-N 2 2 238.350 2.777 20 0 BFADLP c1cn(-c2csc(C[NH+]3CCCC3)c2)c[nH+]1 ZINC000335132913 354779399 /nfs/dbraw/zinc/77/93/99/354779399.db2.gz LXCABGKQLDQLBW-UHFFFAOYSA-N 2 2 233.340 2.530 20 0 BFADLP CC(C)C[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000346282526 354877239 /nfs/dbraw/zinc/87/72/39/354877239.db2.gz WAWFGBHOROPHSL-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000346282526 354877241 /nfs/dbraw/zinc/87/72/41/354877241.db2.gz WAWFGBHOROPHSL-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346598068 354988347 /nfs/dbraw/zinc/98/83/47/354988347.db2.gz BIQXHPAJXOCXQB-DZGCQCFKSA-N 2 2 244.382 2.606 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346598068 354988349 /nfs/dbraw/zinc/98/83/49/354988349.db2.gz BIQXHPAJXOCXQB-DZGCQCFKSA-N 2 2 244.382 2.606 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346598073 354988389 /nfs/dbraw/zinc/98/83/89/354988389.db2.gz BIQXHPAJXOCXQB-UKRRQHHQSA-N 2 2 244.382 2.606 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346598073 354988391 /nfs/dbraw/zinc/98/83/91/354988391.db2.gz BIQXHPAJXOCXQB-UKRRQHHQSA-N 2 2 244.382 2.606 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000346820504 355124953 /nfs/dbraw/zinc/12/49/53/355124953.db2.gz CNWZTQXGKMWXAI-OAHLLOKOSA-N 2 2 246.398 2.993 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000346820504 355124956 /nfs/dbraw/zinc/12/49/56/355124956.db2.gz CNWZTQXGKMWXAI-OAHLLOKOSA-N 2 2 246.398 2.993 20 0 BFADLP CC(C)([NH3+])C[N@H+](CC1CCCCC1)C1CC1 ZINC000346834771 355130819 /nfs/dbraw/zinc/13/08/19/355130819.db2.gz MYUKLBQVRHGGSW-UHFFFAOYSA-N 2 2 224.392 2.768 20 0 BFADLP CC(C)([NH3+])C[N@@H+](CC1CCCCC1)C1CC1 ZINC000346834771 355130822 /nfs/dbraw/zinc/13/08/22/355130822.db2.gz MYUKLBQVRHGGSW-UHFFFAOYSA-N 2 2 224.392 2.768 20 0 BFADLP C[N@H+](Cc1cc2ccccc2o1)CC(C)(C)[NH3+] ZINC000346996889 355194866 /nfs/dbraw/zinc/19/48/66/355194866.db2.gz XNRSKNFJPFGXHI-UHFFFAOYSA-N 2 2 232.327 2.602 20 0 BFADLP C[N@@H+](Cc1cc2ccccc2o1)CC(C)(C)[NH3+] ZINC000346996889 355194868 /nfs/dbraw/zinc/19/48/68/355194868.db2.gz XNRSKNFJPFGXHI-UHFFFAOYSA-N 2 2 232.327 2.602 20 0 BFADLP CC(C)CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000336711126 358495977 /nfs/dbraw/zinc/49/59/77/358495977.db2.gz PJALEGRTVLYUGA-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000336711126 358495978 /nfs/dbraw/zinc/49/59/78/358495978.db2.gz PJALEGRTVLYUGA-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+](C3CCCC3)C2)[nH]1 ZINC000335824337 355546324 /nfs/dbraw/zinc/54/63/24/355546324.db2.gz QABPBMDVWAFTLB-NSHDSACASA-N 2 2 219.332 2.532 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+](C3CCCC3)C2)[nH]1 ZINC000335824337 355546328 /nfs/dbraw/zinc/54/63/28/355546328.db2.gz QABPBMDVWAFTLB-NSHDSACASA-N 2 2 219.332 2.532 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC000414964353 191634336 /nfs/dbraw/zinc/63/43/36/191634336.db2.gz UWZZFJCHGGUWIP-CYBMUJFWSA-N 2 2 242.366 2.927 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)CCCC(F)(F)F)[NH+](C)C ZINC000166665383 355742294 /nfs/dbraw/zinc/74/22/94/355742294.db2.gz ZOBPQVULAJXOPJ-VHSXEESVSA-N 2 2 240.313 2.647 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353247351 355744413 /nfs/dbraw/zinc/74/44/13/355744413.db2.gz IZKMJEADKPDZCX-UHIISALHSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353247351 355744418 /nfs/dbraw/zinc/74/44/18/355744418.db2.gz IZKMJEADKPDZCX-UHIISALHSA-N 2 2 247.386 2.681 20 0 BFADLP Cc1ccc(CCC[NH2+]CC(C)(C)F)c[nH+]1 ZINC000639358089 355812108 /nfs/dbraw/zinc/81/21/08/355812108.db2.gz FYEKYYSOKQRPDH-UHFFFAOYSA-N 2 2 224.323 2.660 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166877554 355861173 /nfs/dbraw/zinc/86/11/73/355861173.db2.gz XMDFKVWXRPPNOA-ZIAGYGMSSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166877554 355861177 /nfs/dbraw/zinc/86/11/77/355861177.db2.gz XMDFKVWXRPPNOA-ZIAGYGMSSA-N 2 2 224.392 2.805 20 0 BFADLP c1[nH+]c2c(n1C1CC[NH+](C3CC3)CC1)CCCC2 ZINC000628372108 356029992 /nfs/dbraw/zinc/02/99/92/356029992.db2.gz ZXGBVJAVBRBKKB-UHFFFAOYSA-N 2 2 245.370 2.561 20 0 BFADLP CC1(C)CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336103092 134083692 /nfs/dbraw/zinc/08/36/92/134083692.db2.gz KFUSYPHCGFBYQR-ZDUSSCGKSA-N 2 2 247.386 2.756 20 0 BFADLP [NH3+][C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420273036 192197694 /nfs/dbraw/zinc/19/76/94/192197694.db2.gz MZVPRJBFYLGUJG-UKRRQHHQSA-N 2 2 248.345 2.626 20 0 BFADLP [NH3+][C@@H]1CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000420273036 192197695 /nfs/dbraw/zinc/19/76/95/192197695.db2.gz MZVPRJBFYLGUJG-UKRRQHHQSA-N 2 2 248.345 2.626 20 0 BFADLP CCC1CCC([N@H+](C[C@H](C)[NH3+])C2CC2)CC1 ZINC000420301664 192207130 /nfs/dbraw/zinc/20/71/30/192207130.db2.gz ISNTVEMMPGRHEH-HIFPTAJRSA-N 2 2 224.392 2.767 20 0 BFADLP CCC1CCC([N@@H+](C[C@H](C)[NH3+])C2CC2)CC1 ZINC000420301664 192207132 /nfs/dbraw/zinc/20/71/32/192207132.db2.gz ISNTVEMMPGRHEH-HIFPTAJRSA-N 2 2 224.392 2.767 20 0 BFADLP CCc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000420291926 192202617 /nfs/dbraw/zinc/20/26/17/192202617.db2.gz OOCLQSWDOYFCHG-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000420291926 192202619 /nfs/dbraw/zinc/20/26/19/192202619.db2.gz OOCLQSWDOYFCHG-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420353647 192217982 /nfs/dbraw/zinc/21/79/82/192217982.db2.gz NNDSYSUGRQQBFK-KWBADKCTSA-N 2 2 238.762 2.823 20 0 BFADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420353647 192217983 /nfs/dbraw/zinc/21/79/83/192217983.db2.gz NNDSYSUGRQQBFK-KWBADKCTSA-N 2 2 238.762 2.823 20 0 BFADLP C[C@H]([NH3+])C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000420306650 192208161 /nfs/dbraw/zinc/20/81/61/192208161.db2.gz QTQIMZZLIGOENO-AWEZNQCLSA-N 2 2 246.398 2.821 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000420306650 192208162 /nfs/dbraw/zinc/20/81/62/192208162.db2.gz QTQIMZZLIGOENO-AWEZNQCLSA-N 2 2 246.398 2.821 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000037320276 356355804 /nfs/dbraw/zinc/35/58/04/356355804.db2.gz VUINRHYKGYIISM-UONOGXRCSA-N 2 2 243.354 2.931 20 0 BFADLP CCC[N@H+](C[C@H](C)[NH3+])CC1CCCCC1 ZINC000420327360 192229299 /nfs/dbraw/zinc/22/92/99/192229299.db2.gz YNAOMNWMFVGYNW-LBPRGKRZSA-N 2 2 212.381 2.626 20 0 BFADLP CCC[N@@H+](C[C@H](C)[NH3+])CC1CCCCC1 ZINC000420327360 192229302 /nfs/dbraw/zinc/22/93/02/192229302.db2.gz YNAOMNWMFVGYNW-LBPRGKRZSA-N 2 2 212.381 2.626 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1F ZINC000420412086 192239212 /nfs/dbraw/zinc/23/92/12/192239212.db2.gz SBLKKZKKPOFPAQ-NOZJJQNGSA-N 2 2 242.313 2.743 20 0 BFADLP CC[N@H+](Cc1c(C)cc(C)[nH+]c1C)[C@@H]1CCOC1 ZINC000639649891 356562206 /nfs/dbraw/zinc/56/22/06/356562206.db2.gz DEYHSYSYXKQZKS-CQSZACIVSA-N 2 2 248.370 2.618 20 0 BFADLP CC[N@@H+](Cc1c(C)cc(C)[nH+]c1C)[C@@H]1CCOC1 ZINC000639649891 356562209 /nfs/dbraw/zinc/56/22/09/356562209.db2.gz DEYHSYSYXKQZKS-CQSZACIVSA-N 2 2 248.370 2.618 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC2(C1)CCCCC2 ZINC000421324943 192318353 /nfs/dbraw/zinc/31/83/53/192318353.db2.gz IYQCJCAGWDKYQA-CYBMUJFWSA-N 2 2 247.386 2.974 20 0 BFADLP C[C@H]1CCCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000229593901 491100772 /nfs/dbraw/zinc/10/07/72/491100772.db2.gz WTLOTONQNZTXRD-UONOGXRCSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389506715 356693923 /nfs/dbraw/zinc/69/39/23/356693923.db2.gz DFYVCAIDHNCEKJ-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389506715 356693928 /nfs/dbraw/zinc/69/39/28/356693928.db2.gz DFYVCAIDHNCEKJ-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C(C)(F)F ZINC000389467050 356681964 /nfs/dbraw/zinc/68/19/64/356681964.db2.gz LWWCNSVYKQFOLO-GRYCIOLGSA-N 2 2 248.361 2.931 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623337145 356730045 /nfs/dbraw/zinc/73/00/45/356730045.db2.gz XMMAWGUZJWZVJB-CHWSQXEVSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000623337145 356730047 /nfs/dbraw/zinc/73/00/47/356730047.db2.gz XMMAWGUZJWZVJB-CHWSQXEVSA-N 2 2 247.386 2.605 20 0 BFADLP C[NH2+]CCC[N@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000168297448 134167421 /nfs/dbraw/zinc/16/74/21/134167421.db2.gz QPFVJIUVENRQMK-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP C[NH2+]CCC[N@@H+](C)Cc1cc(F)cc(Cl)c1 ZINC000168297448 134167422 /nfs/dbraw/zinc/16/74/22/134167422.db2.gz QPFVJIUVENRQMK-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP Cc1occc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623372255 356880792 /nfs/dbraw/zinc/88/07/92/356880792.db2.gz MAMFMCSUGIQZIQ-CYBMUJFWSA-N 2 2 236.359 2.550 20 0 BFADLP Cc1occc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623372255 356880794 /nfs/dbraw/zinc/88/07/94/356880794.db2.gz MAMFMCSUGIQZIQ-CYBMUJFWSA-N 2 2 236.359 2.550 20 0 BFADLP Cc1occc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623372256 356881265 /nfs/dbraw/zinc/88/12/65/356881265.db2.gz MAMFMCSUGIQZIQ-ZDUSSCGKSA-N 2 2 236.359 2.550 20 0 BFADLP Cc1occc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623372256 356881267 /nfs/dbraw/zinc/88/12/67/356881267.db2.gz MAMFMCSUGIQZIQ-ZDUSSCGKSA-N 2 2 236.359 2.550 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000155857262 538735317 /nfs/dbraw/zinc/73/53/17/538735317.db2.gz SJNYXHYZVJGHRG-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000155857262 538735325 /nfs/dbraw/zinc/73/53/25/538735325.db2.gz SJNYXHYZVJGHRG-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000155855886 538735822 /nfs/dbraw/zinc/73/58/22/538735822.db2.gz NJAQPPHQILKAOS-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000155855886 538735824 /nfs/dbraw/zinc/73/58/24/538735824.db2.gz NJAQPPHQILKAOS-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000155855762 538735979 /nfs/dbraw/zinc/73/59/79/538735979.db2.gz NJAQPPHQILKAOS-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccccc1C[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000155855762 538735987 /nfs/dbraw/zinc/73/59/87/538735987.db2.gz NJAQPPHQILKAOS-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP CC1(C)Cc2occc2[C@H]([NH2+][C@H]2CCC[NH2+]C2)C1 ZINC000423179429 192611871 /nfs/dbraw/zinc/61/18/71/192611871.db2.gz DEOYMNSEMUWPNM-WCQYABFASA-N 2 2 248.370 2.635 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101203 356966284 /nfs/dbraw/zinc/96/62/84/356966284.db2.gz JWIPZXAEEOOIPA-NWDGAFQWSA-N 2 2 235.375 2.681 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101203 356966286 /nfs/dbraw/zinc/96/62/86/356966286.db2.gz JWIPZXAEEOOIPA-NWDGAFQWSA-N 2 2 235.375 2.681 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000423197508 192621525 /nfs/dbraw/zinc/62/15/25/192621525.db2.gz ZQOAGLAQWOZNKQ-ZFWWWQNUSA-N 2 2 232.371 2.706 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000389578954 356994709 /nfs/dbraw/zinc/99/47/09/356994709.db2.gz XQQFDPNOQGSGTM-WWGRRREGSA-N 2 2 244.382 2.919 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000389578954 356994714 /nfs/dbraw/zinc/99/47/14/356994714.db2.gz XQQFDPNOQGSGTM-WWGRRREGSA-N 2 2 244.382 2.919 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000389769362 357027294 /nfs/dbraw/zinc/02/72/94/357027294.db2.gz SJRYAKITKKVESF-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC000389769362 357027297 /nfs/dbraw/zinc/02/72/97/357027297.db2.gz SJRYAKITKKVESF-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CCCc1ccc([C@H](C)[NH2+]CC[NH+](C)C)cc1 ZINC000021953696 357054332 /nfs/dbraw/zinc/05/43/32/357054332.db2.gz MERIQZQCTKSZPF-ZDUSSCGKSA-N 2 2 234.387 2.851 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423229270 192641642 /nfs/dbraw/zinc/64/16/42/192641642.db2.gz AONLQLNVWORAOU-NFAWXSAZSA-N 2 2 244.382 2.885 20 0 BFADLP CCCC[C@H](CC)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000390767669 357115951 /nfs/dbraw/zinc/11/59/51/357115951.db2.gz SFYRTFWOFMZZSF-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@H](CC)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000390767669 357115953 /nfs/dbraw/zinc/11/59/53/357115953.db2.gz SFYRTFWOFMZZSF-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@H](CC)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000390767671 357116107 /nfs/dbraw/zinc/11/61/07/357116107.db2.gz SFYRTFWOFMZZSF-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@H](CC)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000390767671 357116109 /nfs/dbraw/zinc/11/61/09/357116109.db2.gz SFYRTFWOFMZZSF-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000423252171 192652647 /nfs/dbraw/zinc/65/26/47/192652647.db2.gz XEFODYKMZJFBTA-AWEZNQCLSA-N 2 2 234.387 2.872 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000389552693 538822301 /nfs/dbraw/zinc/82/23/01/538822301.db2.gz PQTMBNIVJZTJQB-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000389552693 538822308 /nfs/dbraw/zinc/82/23/08/538822308.db2.gz PQTMBNIVJZTJQB-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000582676621 357363795 /nfs/dbraw/zinc/36/37/95/357363795.db2.gz HQEHYZAGWVXPPJ-KGLIPLIRSA-N 2 2 226.408 2.741 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCc2occc21 ZINC000423298852 192687112 /nfs/dbraw/zinc/68/71/12/192687112.db2.gz OZGDJEPPUHYHNN-YPMHNXCESA-N 2 2 236.359 2.764 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000582914375 357435681 /nfs/dbraw/zinc/43/56/81/357435681.db2.gz AAONLCIPSSWOPD-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000582914375 357435683 /nfs/dbraw/zinc/43/56/83/357435683.db2.gz AAONLCIPSSWOPD-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000583155219 357497700 /nfs/dbraw/zinc/49/77/00/357497700.db2.gz SLZFBNJQWVBKSA-BYNSBNAKSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000230993114 357587164 /nfs/dbraw/zinc/58/71/64/357587164.db2.gz YMODSANKGRGYDQ-UONOGXRCSA-N 2 2 235.375 2.688 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CCC12CCCC2)C1CC1 ZINC000189105176 357615179 /nfs/dbraw/zinc/61/51/79/357615179.db2.gz GMXPLHJGQLAQNB-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CCC12CCCC2)C1CC1 ZINC000189105176 357615181 /nfs/dbraw/zinc/61/51/81/357615181.db2.gz GMXPLHJGQLAQNB-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397709772 357661267 /nfs/dbraw/zinc/66/12/67/357661267.db2.gz SLSLCJBXHNRDML-OLZOCXBDSA-N 2 2 235.375 2.688 20 0 BFADLP CC[N@H+](C)CC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000233437158 357723379 /nfs/dbraw/zinc/72/33/79/357723379.db2.gz UXBABHBLHBIFHC-MRXNPFEDSA-N 2 2 248.414 2.968 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000233437158 357723383 /nfs/dbraw/zinc/72/33/83/357723383.db2.gz UXBABHBLHBIFHC-MRXNPFEDSA-N 2 2 248.414 2.968 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@H](C)C[NH+](C)C ZINC000168595804 134227840 /nfs/dbraw/zinc/22/78/40/134227840.db2.gz FGRBSDWKJXZPON-ZIAGYGMSSA-N 2 2 234.387 2.547 20 0 BFADLP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000235587028 357881293 /nfs/dbraw/zinc/88/12/93/357881293.db2.gz ZOEJWCWRIPQKTI-RYUDHWBXSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@]2(C)CCCC[C@H]2C)n1C ZINC000584540652 358049172 /nfs/dbraw/zinc/04/91/72/358049172.db2.gz GWTUGUMUSSUONX-RISCZKNCSA-N 2 2 235.375 2.787 20 0 BFADLP C[C@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000218925960 134268877 /nfs/dbraw/zinc/26/88/77/134268877.db2.gz YVUZCIUHEVVVAO-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000218925960 134268878 /nfs/dbraw/zinc/26/88/78/134268878.db2.gz YVUZCIUHEVVVAO-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CCc1nc(N[C@@H](CC)c2[nH]cc[nH+]2)cc(C)[nH+]1 ZINC000310769131 358445235 /nfs/dbraw/zinc/44/52/35/358445235.db2.gz SNXWASXBAQKJLE-JTQLQIEISA-N 2 2 245.330 2.634 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000044683787 358551054 /nfs/dbraw/zinc/55/10/54/358551054.db2.gz QCCAOCSQZDYHJX-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000044683787 358551056 /nfs/dbraw/zinc/55/10/56/358551056.db2.gz QCCAOCSQZDYHJX-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044685265 358552362 /nfs/dbraw/zinc/55/23/62/358552362.db2.gz XCMPRLPCDSDVNQ-UKRRQHHQSA-N 2 2 244.382 2.616 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044685265 358552365 /nfs/dbraw/zinc/55/23/65/358552365.db2.gz XCMPRLPCDSDVNQ-UKRRQHHQSA-N 2 2 244.382 2.616 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1CCC1 ZINC000132138272 491134934 /nfs/dbraw/zinc/13/49/34/491134934.db2.gz OCKFOWURKPXOAV-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC1CCC1 ZINC000132138272 491134935 /nfs/dbraw/zinc/13/49/35/491134935.db2.gz OCKFOWURKPXOAV-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@]3(CC=CCC3)C2)c[nH+]1 ZINC000131610882 358687091 /nfs/dbraw/zinc/68/70/91/358687091.db2.gz ICAUSAQUTRDENL-OAHLLOKOSA-N 2 2 245.370 2.705 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@]3(CC=CCC3)C2)c[nH+]1 ZINC000131610882 358687093 /nfs/dbraw/zinc/68/70/93/358687093.db2.gz ICAUSAQUTRDENL-OAHLLOKOSA-N 2 2 245.370 2.705 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000054488603 358864216 /nfs/dbraw/zinc/86/42/16/358864216.db2.gz QJIYRZPKNGPAHQ-SWLSCSKDSA-N 2 2 232.371 2.509 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(C)cc1 ZINC000054764638 358872632 /nfs/dbraw/zinc/87/26/32/358872632.db2.gz INRIYWMFXLAUGB-CQSZACIVSA-N 2 2 229.327 2.959 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H](C)C1CCCCC1 ZINC000054111308 358852114 /nfs/dbraw/zinc/85/21/14/358852114.db2.gz IWCHVHZVOPSPSK-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C)C1CCCCC1 ZINC000054111308 358852119 /nfs/dbraw/zinc/85/21/19/358852119.db2.gz IWCHVHZVOPSPSK-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000054110744 358853629 /nfs/dbraw/zinc/85/36/29/358853629.db2.gz GFPVQQIJGGWEFR-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000054110744 358853631 /nfs/dbraw/zinc/85/36/31/358853631.db2.gz GFPVQQIJGGWEFR-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000423309325 192697109 /nfs/dbraw/zinc/69/71/09/192697109.db2.gz KZZQKGWFIPUGJI-NSHDSACASA-N 2 2 226.389 2.707 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000070562938 359059746 /nfs/dbraw/zinc/05/97/46/359059746.db2.gz HLADEMVKTOZHKF-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000070562938 359059751 /nfs/dbraw/zinc/05/97/51/359059751.db2.gz HLADEMVKTOZHKF-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247143703 359196705 /nfs/dbraw/zinc/19/67/05/359196705.db2.gz SMKYOEKYVWCOKB-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247143703 359196707 /nfs/dbraw/zinc/19/67/07/359196707.db2.gz SMKYOEKYVWCOKB-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3occc32)CC[N@@H+]1C ZINC000247183607 359199599 /nfs/dbraw/zinc/19/95/99/359199599.db2.gz VJLRLFRVVOTZHI-DYEKYZERSA-N 2 2 248.370 2.729 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3occc32)CC[N@H+]1C ZINC000247183607 359199601 /nfs/dbraw/zinc/19/96/01/359199601.db2.gz VJLRLFRVVOTZHI-DYEKYZERSA-N 2 2 248.370 2.729 20 0 BFADLP CCn1c[nH+]cc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000628480255 359317879 /nfs/dbraw/zinc/31/78/79/359317879.db2.gz JCTHLSGFZSVFOC-UHFFFAOYSA-N 2 2 233.359 2.669 20 0 BFADLP CC(C)C[C@@]1(C)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000451293147 202396846 /nfs/dbraw/zinc/39/68/46/202396846.db2.gz VGYAVNSPFWOFIZ-CQSZACIVSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)C[C@@]1(C)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000451293147 202396848 /nfs/dbraw/zinc/39/68/48/202396848.db2.gz VGYAVNSPFWOFIZ-CQSZACIVSA-N 2 2 235.375 2.784 20 0 BFADLP CCCc1[nH+]ccn1Cc1ccc[nH+]c1C ZINC000309222114 491146333 /nfs/dbraw/zinc/14/63/33/491146333.db2.gz JFMUZNJTRHXUML-UHFFFAOYSA-N 2 2 215.300 2.587 20 0 BFADLP Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)s1 ZINC000091669792 360123498 /nfs/dbraw/zinc/12/34/98/360123498.db2.gz LJPJPGYSECWIBG-UHFFFAOYSA-N 2 2 238.400 2.583 20 0 BFADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094079537 360295126 /nfs/dbraw/zinc/29/51/26/360295126.db2.gz HYZFFSUFJSEHOW-HUUCEWRRSA-N 2 2 232.371 2.725 20 0 BFADLP CCC[C@H]([NH2+]CCC[NH+](C)C)c1cc(C)ccn1 ZINC000631560462 360976910 /nfs/dbraw/zinc/97/69/10/360976910.db2.gz CIRBUVROCDSFHN-AWEZNQCLSA-N 2 2 249.402 2.773 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(C)ccc1C ZINC000629390217 361037874 /nfs/dbraw/zinc/03/78/74/361037874.db2.gz AQVPSECTOOUANX-LSDHHAIUSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629393533 361042336 /nfs/dbraw/zinc/04/23/36/361042336.db2.gz BQBQRWQGFNABRT-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(C)s1 ZINC000629395472 361043164 /nfs/dbraw/zinc/04/31/64/361043164.db2.gz CZNKMXJEDVJGSD-ZANVPECISA-N 2 2 238.400 2.595 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629394161 361043533 /nfs/dbraw/zinc/04/35/33/361043533.db2.gz FWFKZPZPADKECQ-UONOGXRCSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629396830 361046662 /nfs/dbraw/zinc/04/66/62/361046662.db2.gz VBHLLXKKNHENDZ-HIFRSBDPSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccc(F)cc2)C[NH2+]1 ZINC000629416770 361062003 /nfs/dbraw/zinc/06/20/03/361062003.db2.gz VLQHHXZVIAVYLZ-RDYIKARRSA-N 2 2 248.345 2.569 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1c2ccccc2C[C@H]1C ZINC000629526411 361128418 /nfs/dbraw/zinc/12/84/18/361128418.db2.gz TUHYJBGSPNLVLZ-CAPXZKIUSA-N 2 2 244.382 2.650 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccsc1 ZINC000629527611 361134269 /nfs/dbraw/zinc/13/42/69/361134269.db2.gz AEAQHGZEDWZEOD-FRRDWIJNSA-N 2 2 238.400 2.929 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccc1 ZINC000629525225 361125908 /nfs/dbraw/zinc/12/59/08/361125908.db2.gz YWDSRUAAWZYVCZ-SOUVJXGZSA-N 2 2 232.371 2.868 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000629525750 361127193 /nfs/dbraw/zinc/12/71/93/361127193.db2.gz AVPDATVYAWPJJT-RRFJBIMHSA-N 2 2 248.345 2.543 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000629526412 361127794 /nfs/dbraw/zinc/12/77/94/361127794.db2.gz TUHYJBGSPNLVLZ-DANNLKNASA-N 2 2 244.382 2.650 20 0 BFADLP c1cn(CCC[NH+](C2CCC2)C2CCC2)c[nH+]1 ZINC000429149851 201072593 /nfs/dbraw/zinc/07/25/93/201072593.db2.gz IISXTSIVRDDJHG-UHFFFAOYSA-N 2 2 233.359 2.680 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000629540282 361414169 /nfs/dbraw/zinc/41/41/69/361414169.db2.gz VIZZFNVBYHNYNA-XNRPHZJLSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)s1 ZINC000629544850 361424219 /nfs/dbraw/zinc/42/42/19/361424219.db2.gz DQBGFUVZLUZBOO-DJLDLDEBSA-N 2 2 244.791 2.803 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc21 ZINC000629544811 361424827 /nfs/dbraw/zinc/42/48/27/361424827.db2.gz JNOSXSUXGSXQPC-UOVKNHIHSA-N 2 2 230.355 2.575 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)C2CCC2)o1 ZINC000629545852 361426816 /nfs/dbraw/zinc/42/68/16/361426816.db2.gz RVBRDHYUUIHYMO-LNSITVRQSA-N 2 2 248.370 2.769 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000629545779 361426840 /nfs/dbraw/zinc/42/68/40/361426840.db2.gz PNQDAGSGXBXDSJ-UHTWSYAYSA-N 2 2 248.395 2.564 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629545590 361426884 /nfs/dbraw/zinc/42/68/84/361426884.db2.gz MUCASVLLOXWAHZ-SLEUVZQESA-N 2 2 232.371 2.650 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1 ZINC000629546203 361427555 /nfs/dbraw/zinc/42/75/55/361427555.db2.gz QBSFMDSIGFPXEZ-LEWSCRJBSA-N 2 2 236.334 2.617 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1 ZINC000629546207 361427987 /nfs/dbraw/zinc/42/79/87/361427987.db2.gz QBSFMDSIGFPXEZ-ZLKJLUDKSA-N 2 2 236.334 2.617 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccsc1 ZINC000629546700 361429471 /nfs/dbraw/zinc/42/94/71/361429471.db2.gz WYKNJKWVOWCLLV-CYZMBNFOSA-N 2 2 238.400 2.929 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000629548321 361432487 /nfs/dbraw/zinc/43/24/87/361432487.db2.gz NOXLWCQQHNEWEU-APHBMKBZSA-N 2 2 244.382 2.794 20 0 BFADLP CC1(C)CC([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000433288675 201176510 /nfs/dbraw/zinc/17/65/10/201176510.db2.gz NCWBJXYVQGGPIF-UHFFFAOYSA-N 2 2 233.359 2.662 20 0 BFADLP C[NH2+]c1ccc(NCC[NH2+]C(C)(C)C)cc1 ZINC000629652825 361551719 /nfs/dbraw/zinc/55/17/19/361551719.db2.gz CDANECXWPIOEES-UHFFFAOYSA-N 2 2 221.348 2.528 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434785432 201241118 /nfs/dbraw/zinc/24/11/18/201241118.db2.gz OAVQJNIQDCHQDM-IPYPFGDCSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434785432 201241120 /nfs/dbraw/zinc/24/11/20/201241120.db2.gz OAVQJNIQDCHQDM-IPYPFGDCSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434783808 201240725 /nfs/dbraw/zinc/24/07/25/201240725.db2.gz ILYGUGNAKLLMTB-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000434783808 201240728 /nfs/dbraw/zinc/24/07/28/201240728.db2.gz ILYGUGNAKLLMTB-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP CCSc1cccc(C[N@H+](C)[C@@H](C)C[NH3+])c1 ZINC000435393082 201267469 /nfs/dbraw/zinc/26/74/69/201267469.db2.gz YSVRIOCFTIRQJJ-NSHDSACASA-N 2 2 238.400 2.578 20 0 BFADLP CCSc1cccc(C[N@@H+](C)[C@@H](C)C[NH3+])c1 ZINC000435393082 201267472 /nfs/dbraw/zinc/26/74/72/201267472.db2.gz YSVRIOCFTIRQJJ-NSHDSACASA-N 2 2 238.400 2.578 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154594642 201282632 /nfs/dbraw/zinc/28/26/32/201282632.db2.gz CVYHJPOTTNNGMZ-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154594642 201282635 /nfs/dbraw/zinc/28/26/35/201282635.db2.gz CVYHJPOTTNNGMZ-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccs1 ZINC000154563201 201282918 /nfs/dbraw/zinc/28/29/18/201282918.db2.gz BOBMFRWRBUGQHI-NEPJUHHUSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccs1 ZINC000154563201 201282923 /nfs/dbraw/zinc/28/29/23/201282923.db2.gz BOBMFRWRBUGQHI-NEPJUHHUSA-N 2 2 238.400 2.883 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC[C@H](C)C3)n2c1 ZINC000436412323 201324940 /nfs/dbraw/zinc/32/49/40/201324940.db2.gz RUCLWDOZEAUEFF-WCQYABFASA-N 2 2 243.354 2.921 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CCC1 ZINC000437095688 201343199 /nfs/dbraw/zinc/34/31/99/201343199.db2.gz REOCLKNYEYIOPW-UONOGXRCSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000155708997 201348472 /nfs/dbraw/zinc/34/84/72/201348472.db2.gz AOQNZYJLRXZEFF-QWHCGFSZSA-N 2 2 223.364 2.688 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC)C1)c1ccccc1 ZINC000328514878 363889420 /nfs/dbraw/zinc/88/94/20/363889420.db2.gz PDNABGMQZLSQHF-HUUCEWRRSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000328514878 363889423 /nfs/dbraw/zinc/88/94/23/363889423.db2.gz PDNABGMQZLSQHF-HUUCEWRRSA-N 2 2 232.371 2.822 20 0 BFADLP c1csc([C@@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)c1 ZINC000634991492 541304213 /nfs/dbraw/zinc/30/42/13/541304213.db2.gz GQPPQOMUXDZFJS-LXVYMNJGSA-N 2 2 248.395 2.637 20 0 BFADLP c1csc([C@@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)c1 ZINC000634991492 541304222 /nfs/dbraw/zinc/30/42/22/541304222.db2.gz GQPPQOMUXDZFJS-LXVYMNJGSA-N 2 2 248.395 2.637 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000250632581 541438942 /nfs/dbraw/zinc/43/89/42/541438942.db2.gz RLPSJRSAKOTPSY-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000250632581 541438947 /nfs/dbraw/zinc/43/89/47/541438947.db2.gz RLPSJRSAKOTPSY-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1ccccc1[C@@H]([C@@H](C)[NH2+]C(C)C)[NH+](C)C ZINC000443206405 193014779 /nfs/dbraw/zinc/01/47/79/193014779.db2.gz GNBWXAXGIWNXLR-UKRRQHHQSA-N 2 2 234.387 2.984 20 0 BFADLP CC(C)C[NH+](CCCn1cc[nH+]c1)CC(C)C ZINC000182625050 366924773 /nfs/dbraw/zinc/92/47/73/366924773.db2.gz BPZMAXUBNDHSQV-UHFFFAOYSA-N 2 2 237.391 2.887 20 0 BFADLP CCC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182850035 366950551 /nfs/dbraw/zinc/95/05/51/366950551.db2.gz SRFSDXRMQVWGQT-CQSZACIVSA-N 2 2 235.375 2.785 20 0 BFADLP CCC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182850035 366950556 /nfs/dbraw/zinc/95/05/56/366950556.db2.gz SRFSDXRMQVWGQT-CQSZACIVSA-N 2 2 235.375 2.785 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000183182064 366989304 /nfs/dbraw/zinc/98/93/04/366989304.db2.gz LIFKUAYQXJIERB-KFWWJZLASA-N 2 2 247.386 2.926 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000183182064 366989308 /nfs/dbraw/zinc/98/93/08/366989308.db2.gz LIFKUAYQXJIERB-KFWWJZLASA-N 2 2 247.386 2.926 20 0 BFADLP CCCC[C@@H]([NH2+]CCn1cc[nH+]c1)C1CCC1 ZINC000184872166 367104523 /nfs/dbraw/zinc/10/45/23/367104523.db2.gz ZSTBTABIKUTXHJ-CQSZACIVSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000580803334 367169844 /nfs/dbraw/zinc/16/98/44/367169844.db2.gz GWPSUMDESYNDEU-AVGNSLFASA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000580803334 367169849 /nfs/dbraw/zinc/16/98/49/367169849.db2.gz GWPSUMDESYNDEU-AVGNSLFASA-N 2 2 247.386 2.681 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)C2=CCCC2)n1C ZINC000581440390 367472518 /nfs/dbraw/zinc/47/25/18/367472518.db2.gz FURAEXFAJAXRMI-UHFFFAOYSA-N 2 2 247.386 2.955 20 0 BFADLP CC(C)C1CCC(C[NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000383744069 367651219 /nfs/dbraw/zinc/65/12/19/367651219.db2.gz CUFIBHXBDJBFDI-NFOMZHRRSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(F)c1 ZINC000399152719 367691728 /nfs/dbraw/zinc/69/17/28/367691728.db2.gz BYQPPEGBYOBGSF-JTNHKYCSSA-N 2 2 236.334 2.617 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000385260373 367813838 /nfs/dbraw/zinc/81/38/38/367813838.db2.gz WZGZLMOLLVECDY-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000385260373 367813843 /nfs/dbraw/zinc/81/38/43/367813843.db2.gz WZGZLMOLLVECDY-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000385103447 367791254 /nfs/dbraw/zinc/79/12/54/367791254.db2.gz IAQHJKRHKYFYCB-NEPJUHHUSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000385103447 367791260 /nfs/dbraw/zinc/79/12/60/367791260.db2.gz IAQHJKRHKYFYCB-NEPJUHHUSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000385117850 367795820 /nfs/dbraw/zinc/79/58/20/367795820.db2.gz JUNXPHLNTFNPEL-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000385117850 367795824 /nfs/dbraw/zinc/79/58/24/367795824.db2.gz JUNXPHLNTFNPEL-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP CCc1ccccc1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000386075584 367909612 /nfs/dbraw/zinc/90/96/12/367909612.db2.gz GABLPGXZLGIPNL-CJNGLKHVSA-N 2 2 246.398 2.869 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000386578954 367996396 /nfs/dbraw/zinc/99/63/96/367996396.db2.gz NZWHILJHAJKWBN-UKRRQHHQSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000386579475 367997283 /nfs/dbraw/zinc/99/72/83/367997283.db2.gz OFVLDPJOMJVEGI-DZGCQCFKSA-N 2 2 232.371 2.615 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccsc1 ZINC000399280617 368062752 /nfs/dbraw/zinc/06/27/52/368062752.db2.gz XHIKPDNKBPSXKP-CKYFFXLPSA-N 2 2 224.373 2.539 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000386883387 368030800 /nfs/dbraw/zinc/03/08/00/368030800.db2.gz MNMYASPAEWUXKG-YCPHGPKFSA-N 2 2 246.398 2.753 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000386883387 368030807 /nfs/dbraw/zinc/03/08/07/368030807.db2.gz MNMYASPAEWUXKG-YCPHGPKFSA-N 2 2 246.398 2.753 20 0 BFADLP c1ccc(NCCCCNc2cccc[nH+]2)[nH+]c1 ZINC000034594993 368265593 /nfs/dbraw/zinc/26/55/93/368265593.db2.gz VFUMVGXNFMSRND-UHFFFAOYSA-N 2 2 242.326 2.781 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H](C)CC(C)(C)C)n1C ZINC000566499429 326058817 /nfs/dbraw/zinc/05/88/17/326058817.db2.gz TZUSCSGCAIBXRG-SNVBAGLBSA-N 2 2 223.364 2.643 20 0 BFADLP CCCC[NH+](CCCC)CCc1c[nH+]cn1C ZINC000459309618 203253901 /nfs/dbraw/zinc/25/39/01/203253901.db2.gz YSMFNGAKCMUODJ-UHFFFAOYSA-N 2 2 237.391 2.865 20 0 BFADLP CC(C)C[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459385600 203271339 /nfs/dbraw/zinc/27/13/39/203271339.db2.gz IQARBTQUSSIMDD-CQSZACIVSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)C[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459385600 203271342 /nfs/dbraw/zinc/27/13/42/203271342.db2.gz IQARBTQUSSIMDD-CQSZACIVSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459404393 203273489 /nfs/dbraw/zinc/27/34/89/203273489.db2.gz RDZWZFGEDGXOMD-ZDUSSCGKSA-N 2 2 235.375 2.617 20 0 BFADLP CCC[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459404393 203273491 /nfs/dbraw/zinc/27/34/91/203273491.db2.gz RDZWZFGEDGXOMD-ZDUSSCGKSA-N 2 2 235.375 2.617 20 0 BFADLP CCC1CCC([N@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000459367002 203267151 /nfs/dbraw/zinc/26/71/51/203267151.db2.gz UTRYPJFBBKJART-UHFFFAOYSA-N 2 2 249.402 2.863 20 0 BFADLP CCC1CCC([N@@H+](C)CCc2c[nH+]cn2C)CC1 ZINC000459367002 203267155 /nfs/dbraw/zinc/26/71/55/203267155.db2.gz UTRYPJFBBKJART-UHFFFAOYSA-N 2 2 249.402 2.863 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]C2CC3(CCC3)C2)CC1 ZINC000459480933 203291333 /nfs/dbraw/zinc/29/13/33/203291333.db2.gz OPJSOUWNWDNPRH-UHFFFAOYSA-N 2 2 234.387 2.561 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]C2CC3(CCC3)C2)CC1 ZINC000459480933 203291336 /nfs/dbraw/zinc/29/13/36/203291336.db2.gz OPJSOUWNWDNPRH-UHFFFAOYSA-N 2 2 234.387 2.561 20 0 BFADLP CC[N@H+](CCc1c[nH+]cn1C)[C@H]1CCCC[C@@H]1C ZINC000459405231 203276730 /nfs/dbraw/zinc/27/67/30/203276730.db2.gz DXYQVGJATIFLAE-ZFWWWQNUSA-N 2 2 249.402 2.863 20 0 BFADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@H]1CCCC[C@@H]1C ZINC000459405231 203276734 /nfs/dbraw/zinc/27/67/34/203276734.db2.gz DXYQVGJATIFLAE-ZFWWWQNUSA-N 2 2 249.402 2.863 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCCc1ccsc1 ZINC000459552637 203298520 /nfs/dbraw/zinc/29/85/20/203298520.db2.gz WKVZJFBVLIBFON-UHFFFAOYSA-N 2 2 240.416 2.611 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661585 203332111 /nfs/dbraw/zinc/33/21/11/203332111.db2.gz MNXJWSGWQUYTHG-ZDUSSCGKSA-N 2 2 235.375 2.687 20 0 BFADLP C[C@H](CCC1CCCC1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459667088 203332296 /nfs/dbraw/zinc/33/22/96/203332296.db2.gz RWEZLJFQQTWLET-CYBMUJFWSA-N 2 2 249.402 2.911 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[nH+]1 ZINC000459738931 203349066 /nfs/dbraw/zinc/34/90/66/203349066.db2.gz ALMPWOOMWSKETN-XBFCOCLRSA-N 2 2 241.338 2.613 20 0 BFADLP C[C@@H]([NH2+]CC(C)(C)[NH+]1CCCCC1)C1CC1 ZINC000165250932 203382730 /nfs/dbraw/zinc/38/27/30/203382730.db2.gz WXGWWJBQTIESRT-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000165268574 203383375 /nfs/dbraw/zinc/38/33/75/203383375.db2.gz WAWLJSMHZHJYSU-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000165268574 203383376 /nfs/dbraw/zinc/38/33/76/203383376.db2.gz WAWLJSMHZHJYSU-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779661 370528805 /nfs/dbraw/zinc/52/88/05/370528805.db2.gz HSCQSMIKKKZLHY-TYNCELHUSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1ccccc1F)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779661 370528813 /nfs/dbraw/zinc/52/88/13/370528813.db2.gz HSCQSMIKKKZLHY-TYNCELHUSA-N 2 2 248.345 2.700 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000568856610 326379371 /nfs/dbraw/zinc/37/93/71/326379371.db2.gz CWTTUONCVTZQDB-SCZZXKLOSA-N 2 2 244.741 2.867 20 0 BFADLP C/C=C/C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000623739743 371074799 /nfs/dbraw/zinc/07/47/99/371074799.db2.gz FKPFMEYKZUJAPD-NSCUHMNNSA-N 2 2 233.340 2.600 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101391 371308391 /nfs/dbraw/zinc/30/83/91/371308391.db2.gz CPDVZRRJUXVXPP-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101391 371308394 /nfs/dbraw/zinc/30/83/94/371308394.db2.gz CPDVZRRJUXVXPP-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000624101295 371308478 /nfs/dbraw/zinc/30/84/78/371308478.db2.gz YVDRNQMNERSSCH-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000624101295 371308480 /nfs/dbraw/zinc/30/84/80/371308480.db2.gz YVDRNQMNERSSCH-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000125569917 371358654 /nfs/dbraw/zinc/35/86/54/371358654.db2.gz NNZZZSMMKZAUMI-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000125569917 371358657 /nfs/dbraw/zinc/35/86/57/371358657.db2.gz NNZZZSMMKZAUMI-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624271984 371452508 /nfs/dbraw/zinc/45/25/08/371452508.db2.gz QKRLCQDGBXVJPD-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624271984 371452511 /nfs/dbraw/zinc/45/25/11/371452511.db2.gz QKRLCQDGBXVJPD-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000624270504 371453162 /nfs/dbraw/zinc/45/31/62/371453162.db2.gz YVDRNQMNERSSCH-ZNMIVQPWSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000624270504 371453169 /nfs/dbraw/zinc/45/31/69/371453169.db2.gz YVDRNQMNERSSCH-ZNMIVQPWSA-N 2 2 236.403 2.639 20 0 BFADLP CCC(C)(C)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000631219084 372241754 /nfs/dbraw/zinc/24/17/54/372241754.db2.gz MXJKZXMETVWLLV-UHFFFAOYSA-N 2 2 235.375 2.745 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000631243222 372257033 /nfs/dbraw/zinc/25/70/33/372257033.db2.gz WOGMLNYRDIITQE-LBPRGKRZSA-N 2 2 236.359 2.550 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)o1 ZINC000631243222 372257040 /nfs/dbraw/zinc/25/70/40/372257040.db2.gz WOGMLNYRDIITQE-LBPRGKRZSA-N 2 2 236.359 2.550 20 0 BFADLP [NH3+][C@H]1CCCCC[N@H+](Cc2ccccc2F)C1 ZINC000631831692 372615982 /nfs/dbraw/zinc/61/59/82/372615982.db2.gz MNVXGOOWDXSMEN-ZDUSSCGKSA-N 2 2 236.334 2.529 20 0 BFADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccccc2F)C1 ZINC000631831692 372615987 /nfs/dbraw/zinc/61/59/87/372615987.db2.gz MNVXGOOWDXSMEN-ZDUSSCGKSA-N 2 2 236.334 2.529 20 0 BFADLP [NH3+][C@H]1CCCCC[N@H+](Cc2cccc(F)c2)C1 ZINC000631833305 372616215 /nfs/dbraw/zinc/61/62/15/372616215.db2.gz XPMIDYKZODOLLP-AWEZNQCLSA-N 2 2 236.334 2.529 20 0 BFADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000631833305 372616222 /nfs/dbraw/zinc/61/62/22/372616222.db2.gz XPMIDYKZODOLLP-AWEZNQCLSA-N 2 2 236.334 2.529 20 0 BFADLP [NH3+][C@H]1CCCCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000631831981 372616503 /nfs/dbraw/zinc/61/65/03/372616503.db2.gz UUEHXCVJAWHRMH-AWEZNQCLSA-N 2 2 236.334 2.529 20 0 BFADLP [NH3+][C@H]1CCCCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000631831981 372616511 /nfs/dbraw/zinc/61/65/11/372616511.db2.gz UUEHXCVJAWHRMH-AWEZNQCLSA-N 2 2 236.334 2.529 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000631859418 372658275 /nfs/dbraw/zinc/65/82/75/372658275.db2.gz NYDRPGLMTVCKBH-MLGOLLRUSA-N 2 2 240.350 2.761 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000631859418 372658277 /nfs/dbraw/zinc/65/82/77/372658277.db2.gz NYDRPGLMTVCKBH-MLGOLLRUSA-N 2 2 240.350 2.761 20 0 BFADLP Cc1[nH+]cn(Cc2cn3cc(C)ccc3[nH+]2)c1C ZINC000172194211 372902739 /nfs/dbraw/zinc/90/27/39/372902739.db2.gz ISSGIRICMKYKHH-UHFFFAOYSA-N 2 2 240.310 2.504 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000336733870 168992563 /nfs/dbraw/zinc/99/25/63/168992563.db2.gz KJPYQAAISNOWFA-QWHCGFSZSA-N 2 2 223.364 2.688 20 0 BFADLP CCC[N@H+](Cc1cccc(C)c1)[C@H]1CC[NH2+]C1 ZINC000071314666 169175360 /nfs/dbraw/zinc/17/53/60/169175360.db2.gz KRBZIANQNYEPRX-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[N@@H+](Cc1cccc(C)c1)[C@H]1CC[NH2+]C1 ZINC000071314666 169175362 /nfs/dbraw/zinc/17/53/62/169175362.db2.gz KRBZIANQNYEPRX-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[N@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000032015299 169157707 /nfs/dbraw/zinc/15/77/07/169157707.db2.gz KQIZGSFTCYGIEL-UHFFFAOYSA-N 2 2 226.751 2.511 20 0 BFADLP CCC[N@@H+](CC[NH3+])Cc1cccc(Cl)c1 ZINC000032015299 169157709 /nfs/dbraw/zinc/15/77/09/169157709.db2.gz KQIZGSFTCYGIEL-UHFFFAOYSA-N 2 2 226.751 2.511 20 0 BFADLP CCC[N@H+](Cc1sccc1C)[C@H]1CC[NH2+]C1 ZINC000070901893 169181528 /nfs/dbraw/zinc/18/15/28/169181528.db2.gz IXDFAWCMOFALEE-LBPRGKRZSA-N 2 2 238.400 2.630 20 0 BFADLP CCC[N@@H+](Cc1sccc1C)[C@H]1CC[NH2+]C1 ZINC000070901893 169181530 /nfs/dbraw/zinc/18/15/30/169181530.db2.gz IXDFAWCMOFALEE-LBPRGKRZSA-N 2 2 238.400 2.630 20 0 BFADLP c1c[nH+]c(C2CC[NH+](Cc3ccsc3)CC2)[nH]1 ZINC000271215968 183322736 /nfs/dbraw/zinc/32/27/36/183322736.db2.gz XKGJMRGQDDZSGS-UHFFFAOYSA-N 2 2 247.367 2.851 20 0 BFADLP c1cn(CCC[NH2+]C2(c3ccccc3)CC2)c[nH+]1 ZINC000271979006 183389476 /nfs/dbraw/zinc/38/94/76/183389476.db2.gz DLGKLWZGDGGEMD-UHFFFAOYSA-N 2 2 241.338 2.552 20 0 BFADLP c1ccc(C2CC([NH2+]CC[NH+]3CCCC3)C2)cc1 ZINC000036840498 183390873 /nfs/dbraw/zinc/39/08/73/183390873.db2.gz ZHUOLVYTZKNCAD-UHFFFAOYSA-N 2 2 244.382 2.618 20 0 BFADLP CCC[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000337317828 169367621 /nfs/dbraw/zinc/36/76/21/169367621.db2.gz LWHMAWCMLNBGNR-VXGBXAGGSA-N 2 2 221.348 2.778 20 0 BFADLP CCC[C@@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000337317828 169367623 /nfs/dbraw/zinc/36/76/23/169367623.db2.gz LWHMAWCMLNBGNR-VXGBXAGGSA-N 2 2 221.348 2.778 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000336715621 169370526 /nfs/dbraw/zinc/37/05/26/169370526.db2.gz SRNPLMWMZHYMMM-IUODEOHRSA-N 2 2 232.371 2.652 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028696 169360396 /nfs/dbraw/zinc/36/03/96/169360396.db2.gz ODHHEYJPDLBYRG-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000226019080 134358770 /nfs/dbraw/zinc/35/87/70/134358770.db2.gz SQCDIDITOWGHDX-CFVMTHIKSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000226019080 134358771 /nfs/dbraw/zinc/35/87/71/134358771.db2.gz SQCDIDITOWGHDX-CFVMTHIKSA-N 2 2 236.403 2.663 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@@H]1CCC13CCCC3)CC2 ZINC000336415148 383830199 /nfs/dbraw/zinc/83/01/99/383830199.db2.gz YGRQSMKZBYABBW-QWHCGFSZSA-N 2 2 245.370 2.510 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000449339717 383905554 /nfs/dbraw/zinc/90/55/54/383905554.db2.gz UWRHINWTITZQMM-MNOVXSKESA-N 2 2 235.375 2.681 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000449339717 383905560 /nfs/dbraw/zinc/90/55/60/383905560.db2.gz UWRHINWTITZQMM-MNOVXSKESA-N 2 2 235.375 2.681 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157851 383948945 /nfs/dbraw/zinc/94/89/45/383948945.db2.gz PZLGNWNADCWYOK-UONOGXRCSA-N 2 2 243.354 2.931 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)o1 ZINC000037158009 383949290 /nfs/dbraw/zinc/94/92/90/383949290.db2.gz JEIGIONUIOIFMV-PWSUYJOCSA-N 2 2 233.315 2.524 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157857 383949328 /nfs/dbraw/zinc/94/93/28/383949328.db2.gz PZLGNWNADCWYOK-KGLIPLIRSA-N 2 2 243.354 2.931 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000089553060 383976513 /nfs/dbraw/zinc/97/65/13/383976513.db2.gz JNOMWVFFYLZPTP-YDHLFZDLSA-N 2 2 244.382 2.962 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000089553060 383976516 /nfs/dbraw/zinc/97/65/16/383976516.db2.gz JNOMWVFFYLZPTP-YDHLFZDLSA-N 2 2 244.382 2.962 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@H]2CCC[N@H+]2C)c(C)c1 ZINC000221159076 384091587 /nfs/dbraw/zinc/09/15/87/384091587.db2.gz BSCKJOLHSITVHA-OAHLLOKOSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC000221159076 384091593 /nfs/dbraw/zinc/09/15/93/384091593.db2.gz BSCKJOLHSITVHA-OAHLLOKOSA-N 2 2 246.398 2.796 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000560470193 384154408 /nfs/dbraw/zinc/15/44/08/384154408.db2.gz HPHIHYFCERXPSC-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000560470193 384154411 /nfs/dbraw/zinc/15/44/11/384154411.db2.gz HPHIHYFCERXPSC-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP CC(C)[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041064099 384175373 /nfs/dbraw/zinc/17/53/73/384175373.db2.gz WNHSVOZUQYFXHZ-HNNXBMFYSA-N 2 2 243.354 2.870 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000569516249 384161393 /nfs/dbraw/zinc/16/13/93/384161393.db2.gz HBLPKJVWULJDTR-CABCVRRESA-N 2 2 236.403 2.949 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000569516249 384161395 /nfs/dbraw/zinc/16/13/95/384161395.db2.gz HBLPKJVWULJDTR-CABCVRRESA-N 2 2 236.403 2.949 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000569516252 384161415 /nfs/dbraw/zinc/16/14/15/384161415.db2.gz HBLPKJVWULJDTR-GJZGRUSLSA-N 2 2 236.403 2.949 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000569516252 384161417 /nfs/dbraw/zinc/16/14/17/384161417.db2.gz HBLPKJVWULJDTR-GJZGRUSLSA-N 2 2 236.403 2.949 20 0 BFADLP c1cn(CC[NH2+][C@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000041119801 384180088 /nfs/dbraw/zinc/18/00/88/384180088.db2.gz ZACKPVLMDXBBCN-OAHLLOKOSA-N 2 2 241.338 2.624 20 0 BFADLP c1cn(C2CC[NH+](Cc3ccsc3)CC2)c[nH+]1 ZINC000092659263 384188589 /nfs/dbraw/zinc/18/85/89/384188589.db2.gz GRYUOTXYNHKJSC-UHFFFAOYSA-N 2 2 247.367 2.782 20 0 BFADLP CCC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000163681384 384231591 /nfs/dbraw/zinc/23/15/91/384231591.db2.gz LFFFXJGKRNPPKM-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000163681384 384231601 /nfs/dbraw/zinc/23/16/01/384231601.db2.gz LFFFXJGKRNPPKM-JXQTWKCFSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313287907 384236476 /nfs/dbraw/zinc/23/64/76/384236476.db2.gz YMLLHHOJEXXZHY-KGLIPLIRSA-N 2 2 249.402 2.769 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313287842 384236523 /nfs/dbraw/zinc/23/65/23/384236523.db2.gz XWGAOUOEQGUADU-LLVKDONJSA-N 2 2 249.383 2.683 20 0 BFADLP CCC(CC)(CC)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000313295660 384237829 /nfs/dbraw/zinc/23/78/29/384237829.db2.gz KTEHHIKNHIXXIZ-UHFFFAOYSA-N 2 2 237.391 2.769 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)s1 ZINC000569573059 384266001 /nfs/dbraw/zinc/26/60/01/384266001.db2.gz RRDLZCXQQZHEOK-LBPRGKRZSA-N 2 2 238.400 2.541 20 0 BFADLP CC(C)(C)C1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000179461836 384293061 /nfs/dbraw/zinc/29/30/61/384293061.db2.gz YMDTXHGELYSUNW-UHFFFAOYSA-N 2 2 235.375 2.641 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H]1C1CC1 ZINC000449427088 384374587 /nfs/dbraw/zinc/37/45/87/384374587.db2.gz NADSJQSYTBEISN-OAHLLOKOSA-N 2 2 230.355 2.807 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H]1C1CC1 ZINC000449427088 384374592 /nfs/dbraw/zinc/37/45/92/384374592.db2.gz NADSJQSYTBEISN-OAHLLOKOSA-N 2 2 230.355 2.807 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000566090809 384410235 /nfs/dbraw/zinc/41/02/35/384410235.db2.gz CHKRWJOLQFHPMN-VBNZEHGJSA-N 2 2 244.382 2.712 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[NH+]2CCC(C)CC2)CC1 ZINC000556816874 384502820 /nfs/dbraw/zinc/50/28/20/384502820.db2.gz YBFYSVKNSADOGW-OAHLLOKOSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1Cl ZINC000037712417 384510708 /nfs/dbraw/zinc/51/07/08/384510708.db2.gz XYWBAZIVOLVFAH-ZETCQYMHSA-N 2 2 233.142 2.603 20 0 BFADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[N@H+](C)C1CC1 ZINC000647180637 384542479 /nfs/dbraw/zinc/54/24/79/384542479.db2.gz MHEBVJXWDNLXKC-SNVBAGLBSA-N 2 2 246.345 2.637 20 0 BFADLP C[C@H](C[NH2+]C1CCC(F)(F)CC1)[N@@H+](C)C1CC1 ZINC000647180637 384542485 /nfs/dbraw/zinc/54/24/85/384542485.db2.gz MHEBVJXWDNLXKC-SNVBAGLBSA-N 2 2 246.345 2.637 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000049553166 384546504 /nfs/dbraw/zinc/54/65/04/384546504.db2.gz DQKQTRPLTCQORQ-JQWIXIFHSA-N 2 2 224.348 2.579 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000556868294 384562132 /nfs/dbraw/zinc/56/21/32/384562132.db2.gz QSPRLZFFEAULAR-NEBZKDRISA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000556868294 384562141 /nfs/dbraw/zinc/56/21/41/384562141.db2.gz QSPRLZFFEAULAR-NEBZKDRISA-N 2 2 236.403 2.636 20 0 BFADLP Cc1ccc(CCC[NH2+]C2CC(C)C2)c[nH+]1 ZINC000309734062 384571887 /nfs/dbraw/zinc/57/18/87/384571887.db2.gz BVCGYUHGYJKNQN-UHFFFAOYSA-N 2 2 218.344 2.711 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C(C)C)CC1 ZINC000556891903 384615053 /nfs/dbraw/zinc/61/50/53/384615053.db2.gz HFCZCTJAQNZCKM-HUUCEWRRSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C(C)C)CC1 ZINC000556891903 384615061 /nfs/dbraw/zinc/61/50/61/384615061.db2.gz HFCZCTJAQNZCKM-HUUCEWRRSA-N 2 2 236.403 2.663 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@@H]2C[C@H]2C)c[nH+]1 ZINC000309806504 384631871 /nfs/dbraw/zinc/63/18/71/384631871.db2.gz SGPKVTBEAYJBPV-RISCZKNCSA-N 2 2 218.344 2.568 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C1CC(C)C1 ZINC000309767652 384595125 /nfs/dbraw/zinc/59/51/25/384595125.db2.gz JUKSTVAJFYYXST-UHFFFAOYSA-N 2 2 218.344 2.711 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000053344991 384714973 /nfs/dbraw/zinc/71/49/73/384714973.db2.gz ZXYHGGFYXVBJBN-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1C ZINC000053344991 384714982 /nfs/dbraw/zinc/71/49/82/384714982.db2.gz ZXYHGGFYXVBJBN-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548871 384739060 /nfs/dbraw/zinc/73/90/60/384739060.db2.gz YXGSZUAONRHRCK-KLZCAUPSSA-N 2 2 244.382 2.508 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000083055380 384741334 /nfs/dbraw/zinc/74/13/34/384741334.db2.gz WSGXCKIRWDCMQP-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccccc1C1([NH2+]CC[NH2+]C(C)(C)C)CC1 ZINC000647552606 384761103 /nfs/dbraw/zinc/76/11/03/384761103.db2.gz KSWSFEMOPZPWFX-UHFFFAOYSA-N 2 2 246.398 2.962 20 0 BFADLP C[NH+](C)CCC[NH2+]Cc1cccc(Cl)c1F ZINC000083373281 384766078 /nfs/dbraw/zinc/76/60/78/384766078.db2.gz WHGPBRAIOXUJTI-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP C[NH+](C)CCC[NH2+]Cc1cc(Cl)ccc1F ZINC000083373283 384766938 /nfs/dbraw/zinc/76/69/38/384766938.db2.gz IMPLDVLWVOWBDZ-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP C[N@H+](Cc1ccc(Cl)cc1)CC(C)(C)[NH3+] ZINC000042439417 384797745 /nfs/dbraw/zinc/79/77/45/384797745.db2.gz SPMXYRBQDOLDRZ-UHFFFAOYSA-N 2 2 226.751 2.509 20 0 BFADLP C[N@@H+](Cc1ccc(Cl)cc1)CC(C)(C)[NH3+] ZINC000042439417 384797755 /nfs/dbraw/zinc/79/77/55/384797755.db2.gz SPMXYRBQDOLDRZ-UHFFFAOYSA-N 2 2 226.751 2.509 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054765028 384850896 /nfs/dbraw/zinc/85/08/96/384850896.db2.gz JOIQQXOKISREES-LLVKDONJSA-N 2 2 215.300 2.569 20 0 BFADLP c1ccc(NCCC[NH2+]C(C2CC2)C2CC2)[nH+]c1 ZINC000163798307 384863598 /nfs/dbraw/zinc/86/35/98/384863598.db2.gz ZAEMBEMMSKNVJQ-UHFFFAOYSA-N 2 2 245.370 2.662 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1CC ZINC000161164891 384864595 /nfs/dbraw/zinc/86/45/95/384864595.db2.gz ZJWJYTOUEXMCGS-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1CC ZINC000161164891 384864601 /nfs/dbraw/zinc/86/46/01/384864601.db2.gz ZJWJYTOUEXMCGS-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000294500027 384906025 /nfs/dbraw/zinc/90/60/25/384906025.db2.gz ZKGDTBHGRPXJCS-QWHCGFSZSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccsc1 ZINC000294500027 384906031 /nfs/dbraw/zinc/90/60/31/384906031.db2.gz ZKGDTBHGRPXJCS-QWHCGFSZSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC000161192916 384907637 /nfs/dbraw/zinc/90/76/37/384907637.db2.gz RLHFCYDMBHKFDH-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)C(C)C ZINC000161192916 384907645 /nfs/dbraw/zinc/90/76/45/384907645.db2.gz RLHFCYDMBHKFDH-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000249947636 384909321 /nfs/dbraw/zinc/90/93/21/384909321.db2.gz ZXYHGGFYXVBJBN-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C ZINC000249947636 384909326 /nfs/dbraw/zinc/90/93/26/384909326.db2.gz ZXYHGGFYXVBJBN-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000258688311 384932113 /nfs/dbraw/zinc/93/21/13/384932113.db2.gz FQCIIZJTRCIEOY-LBPRGKRZSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000258688311 384932116 /nfs/dbraw/zinc/93/21/16/384932116.db2.gz FQCIIZJTRCIEOY-LBPRGKRZSA-N 2 2 234.387 2.763 20 0 BFADLP CC[C@@H](C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932137 384979783 /nfs/dbraw/zinc/97/97/83/384979783.db2.gz CBYXDROSDZAOGS-CYBMUJFWSA-N 2 2 247.386 2.686 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CC1)[N@H+](C)Cc1ccccc1 ZINC000177322896 384962932 /nfs/dbraw/zinc/96/29/32/384962932.db2.gz LIMGVFOJGMBSEY-KGLIPLIRSA-N 2 2 246.398 2.895 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000177322896 384962939 /nfs/dbraw/zinc/96/29/39/384962939.db2.gz LIMGVFOJGMBSEY-KGLIPLIRSA-N 2 2 246.398 2.895 20 0 BFADLP CC[C@H]1CCCC[C@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000401621085 385050143 /nfs/dbraw/zinc/05/01/43/385050143.db2.gz RFMODPJWIRATLQ-KBPBESRZSA-N 2 2 249.402 2.769 20 0 BFADLP CC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000128896241 385085241 /nfs/dbraw/zinc/08/52/41/385085241.db2.gz DISIFZRBABJSLZ-UKRRQHHQSA-N 2 2 234.387 2.547 20 0 BFADLP Cc1cscc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000226832886 385066847 /nfs/dbraw/zinc/06/68/47/385066847.db2.gz FMPVSCNGCOEYSF-AAEUAGOBSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1cscc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000226832886 385066853 /nfs/dbraw/zinc/06/68/53/385066853.db2.gz FMPVSCNGCOEYSF-AAEUAGOBSA-N 2 2 238.400 2.629 20 0 BFADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000423553049 385027983 /nfs/dbraw/zinc/02/79/83/385027983.db2.gz KCTHLBFONUJOKE-HIFRSBDPSA-N 2 2 248.345 2.545 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000053201835 385034002 /nfs/dbraw/zinc/03/40/02/385034002.db2.gz FURWIVBBQXJYEL-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC000053201835 385034009 /nfs/dbraw/zinc/03/40/09/385034009.db2.gz FURWIVBBQXJYEL-ZFWWWQNUSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448078201 385034215 /nfs/dbraw/zinc/03/42/15/385034215.db2.gz QNINFGIEQMZZAQ-CYBMUJFWSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C2CC3(CCC3)C2)C1 ZINC000448078201 385034218 /nfs/dbraw/zinc/03/42/18/385034218.db2.gz QNINFGIEQMZZAQ-CYBMUJFWSA-N 2 2 236.403 2.641 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccoc1 ZINC000087289489 385089645 /nfs/dbraw/zinc/08/96/45/385089645.db2.gz QOGHIAGBDJMBPF-GFCCVEGCSA-N 2 2 224.348 2.662 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCCCC1)C1CCC1 ZINC000177736704 385091268 /nfs/dbraw/zinc/09/12/68/385091268.db2.gz RTSSSCWHZKEQDY-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCC[C@H]1C)[N@H+](C)C1CC1 ZINC000252710120 385189482 /nfs/dbraw/zinc/18/94/82/385189482.db2.gz FSLQGPZTFPGFHG-DYEKYZERSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000252710120 385189487 /nfs/dbraw/zinc/18/94/87/385189487.db2.gz FSLQGPZTFPGFHG-DYEKYZERSA-N 2 2 224.392 2.637 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000177156716 385190722 /nfs/dbraw/zinc/19/07/22/385190722.db2.gz HAOKDCLWXNJJMZ-AWEZNQCLSA-N 2 2 249.402 2.806 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000177156716 385190726 /nfs/dbraw/zinc/19/07/26/385190726.db2.gz HAOKDCLWXNJJMZ-AWEZNQCLSA-N 2 2 249.402 2.806 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1C)[N@H+](C)C1CC1 ZINC000252710121 385190918 /nfs/dbraw/zinc/19/09/18/385190918.db2.gz FSLQGPZTFPGFHG-MBNYWOFBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000252710121 385190924 /nfs/dbraw/zinc/19/09/24/385190924.db2.gz FSLQGPZTFPGFHG-MBNYWOFBSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000336689986 385201268 /nfs/dbraw/zinc/20/12/68/385201268.db2.gz WEZGQYMVLXNRQC-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336689986 385201274 /nfs/dbraw/zinc/20/12/74/385201274.db2.gz WEZGQYMVLXNRQC-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC1CC1 ZINC000306725023 385178058 /nfs/dbraw/zinc/17/80/58/385178058.db2.gz JXCOWKDQHOZGQP-ZDUSSCGKSA-N 2 2 232.371 2.507 20 0 BFADLP C[C@@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC1CC1 ZINC000306725023 385178065 /nfs/dbraw/zinc/17/80/65/385178065.db2.gz JXCOWKDQHOZGQP-ZDUSSCGKSA-N 2 2 232.371 2.507 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000157516198 385208291 /nfs/dbraw/zinc/20/82/91/385208291.db2.gz ULILXCRIQGISPL-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP CC[N@H+]1CCCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000157516198 385208300 /nfs/dbraw/zinc/20/83/00/385208300.db2.gz ULILXCRIQGISPL-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)C1CC1 ZINC000177285959 385212971 /nfs/dbraw/zinc/21/29/71/385212971.db2.gz KOCUIBOXWQXBQU-LBPRGKRZSA-N 2 2 233.359 2.662 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC000130137624 385221636 /nfs/dbraw/zinc/22/16/36/385221636.db2.gz LGKKCBYKHBUZFA-AVGNSLFASA-N 2 2 214.397 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000300997465 385226754 /nfs/dbraw/zinc/22/67/54/385226754.db2.gz WOCGNZABXLPEAN-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000300997465 385226760 /nfs/dbraw/zinc/22/67/60/385226760.db2.gz WOCGNZABXLPEAN-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cncs1 ZINC000166562963 385257148 /nfs/dbraw/zinc/25/71/48/385257148.db2.gz ZTFHFUKQNZIAAU-NSHDSACASA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cncs1 ZINC000166562963 385257154 /nfs/dbraw/zinc/25/71/54/385257154.db2.gz ZTFHFUKQNZIAAU-NSHDSACASA-N 2 2 241.404 2.524 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CCc1cccs1 ZINC000130395769 385243995 /nfs/dbraw/zinc/24/39/95/385243995.db2.gz KQRHDDZCWLPWTI-UHFFFAOYSA-N 2 2 249.383 2.509 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CCc1cccs1 ZINC000130395769 385244004 /nfs/dbraw/zinc/24/40/04/385244004.db2.gz KQRHDDZCWLPWTI-UHFFFAOYSA-N 2 2 249.383 2.509 20 0 BFADLP c1ccc2[nH+]c(NCC[C@@H]3CC[NH2+]C3)ccc2c1 ZINC000110798631 385263427 /nfs/dbraw/zinc/26/34/27/385263427.db2.gz NPGBMMBXPPZBJF-LBPRGKRZSA-N 2 2 241.338 2.646 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000019843410 385297909 /nfs/dbraw/zinc/29/79/09/385297909.db2.gz JGTUHFCSCANORI-VIFPVBQESA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000019843410 385297913 /nfs/dbraw/zinc/29/79/13/385297913.db2.gz JGTUHFCSCANORI-VIFPVBQESA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC000154619249 385341850 /nfs/dbraw/zinc/34/18/50/385341850.db2.gz NXXFSNRNEGQUSR-BXUZGUMPSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC000154619249 385341852 /nfs/dbraw/zinc/34/18/52/385341852.db2.gz NXXFSNRNEGQUSR-BXUZGUMPSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC000154618967 385342591 /nfs/dbraw/zinc/34/25/91/385342591.db2.gz NXXFSNRNEGQUSR-FZMZJTMJSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC000154618967 385342595 /nfs/dbraw/zinc/34/25/95/385342595.db2.gz NXXFSNRNEGQUSR-FZMZJTMJSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC000154619370 385342734 /nfs/dbraw/zinc/34/27/34/385342734.db2.gz RKTTXHUQXUACAJ-FZMZJTMJSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(F)cc1 ZINC000154619370 385342739 /nfs/dbraw/zinc/34/27/39/385342739.db2.gz RKTTXHUQXUACAJ-FZMZJTMJSA-N 2 2 236.334 2.571 20 0 BFADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000170643492 385438432 /nfs/dbraw/zinc/43/84/32/385438432.db2.gz DYKJYFSAEZVVKA-UHFFFAOYSA-N 2 2 241.338 2.714 20 0 BFADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)CC1CC1 ZINC000170643492 385438437 /nfs/dbraw/zinc/43/84/37/385438437.db2.gz DYKJYFSAEZVVKA-UHFFFAOYSA-N 2 2 241.338 2.714 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCC[C@H]1C ZINC000449064897 385496095 /nfs/dbraw/zinc/49/60/95/385496095.db2.gz WUPUQWVGNOJVTD-RDBSUJKOSA-N 2 2 235.375 2.688 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CCCCC12CCCC2 ZINC000309241832 385496304 /nfs/dbraw/zinc/49/63/04/385496304.db2.gz KXOGRNDGXXYQPT-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000309347717 385546495 /nfs/dbraw/zinc/54/64/95/385546495.db2.gz MDAQTUNXCXCOFT-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000309347717 385546496 /nfs/dbraw/zinc/54/64/96/385546496.db2.gz MDAQTUNXCXCOFT-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP COc1cc(C)ccc1[NH2+][C@@H](C)CCC[NH3+] ZINC000309474110 385604155 /nfs/dbraw/zinc/60/41/55/385604155.db2.gz UTSMVJQOKWKSNC-NSHDSACASA-N 2 2 222.332 2.543 20 0 BFADLP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC[NH3+] ZINC000054416779 385582416 /nfs/dbraw/zinc/58/24/16/385582416.db2.gz SKHIHTQZSVHJQO-GFCCVEGCSA-N 2 2 226.751 2.682 20 0 BFADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC[NH3+] ZINC000054416779 385582419 /nfs/dbraw/zinc/58/24/19/385582419.db2.gz SKHIHTQZSVHJQO-GFCCVEGCSA-N 2 2 226.751 2.682 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@]32C)C[N@@H+]1C1CC1 ZINC000337373136 385628104 /nfs/dbraw/zinc/62/81/04/385628104.db2.gz DXXVGEQTNDTCBW-YCLREWFLSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@]32C)C[N@H+]1C1CC1 ZINC000337373136 385628110 /nfs/dbraw/zinc/62/81/10/385628110.db2.gz DXXVGEQTNDTCBW-YCLREWFLSA-N 2 2 248.414 2.780 20 0 BFADLP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000337397365 385635163 /nfs/dbraw/zinc/63/51/63/385635163.db2.gz CAAAXMWNJAVBDW-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000337397365 385635166 /nfs/dbraw/zinc/63/51/66/385635166.db2.gz CAAAXMWNJAVBDW-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC000063192111 385609618 /nfs/dbraw/zinc/60/96/18/385609618.db2.gz RSSKHDXYRINQQD-NEPJUHHUSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(C)(C)C ZINC000063192111 385609623 /nfs/dbraw/zinc/60/96/23/385609623.db2.gz RSSKHDXYRINQQD-NEPJUHHUSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000337406031 385650675 /nfs/dbraw/zinc/65/06/75/385650675.db2.gz SLXDHWQABKEDHN-KFWWJZLASA-N 2 2 236.403 2.641 20 0 BFADLP CC(C)(C)CC(C)(C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000054764794 385655932 /nfs/dbraw/zinc/65/59/32/385655932.db2.gz OLXVBNVGZIYNNS-UHFFFAOYSA-N 2 2 209.337 2.714 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Cl)s1 ZINC000054764491 385656309 /nfs/dbraw/zinc/65/63/09/385656309.db2.gz WPJNDILCFBOSTR-ZETCQYMHSA-N 2 2 241.747 2.975 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000235462144 259673492 /nfs/dbraw/zinc/67/34/92/259673492.db2.gz POIQYYSNBZWGMX-HTQZYQBOSA-N 2 2 247.169 2.991 20 0 BFADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)s1 ZINC000182748694 385700833 /nfs/dbraw/zinc/70/08/33/385700833.db2.gz LYMXTACQBGBFDG-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)s1 ZINC000182748694 385700839 /nfs/dbraw/zinc/70/08/39/385700839.db2.gz LYMXTACQBGBFDG-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC23CCC3)CCC1 ZINC000394857280 385709385 /nfs/dbraw/zinc/70/93/85/385709385.db2.gz IWLDRDMGQUDDCE-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1[C@H]([NH2+]C2CCCCCC2)CCC[N@@H+]1C ZINC000336735659 385713719 /nfs/dbraw/zinc/71/37/19/385713719.db2.gz IIAUTNXCKBWMCT-GXTWGEPZSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H]1[C@H]([NH2+]C2CCCCCC2)CCC[N@H+]1C ZINC000336735659 385713720 /nfs/dbraw/zinc/71/37/20/385713720.db2.gz IIAUTNXCKBWMCT-GXTWGEPZSA-N 2 2 224.392 2.782 20 0 BFADLP CCc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000230195312 385716299 /nfs/dbraw/zinc/71/62/99/385716299.db2.gz YANVDNPLAVGSNR-UHFFFAOYSA-N 2 2 238.375 2.662 20 0 BFADLP CCc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000230195312 385716303 /nfs/dbraw/zinc/71/63/03/385716303.db2.gz YANVDNPLAVGSNR-UHFFFAOYSA-N 2 2 238.375 2.662 20 0 BFADLP CC(C)(C)C[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000336693223 385737222 /nfs/dbraw/zinc/73/72/22/385737222.db2.gz XRYRLXKPKRIANB-UHFFFAOYSA-N 2 2 226.408 2.744 20 0 BFADLP CC(C)(C)C[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000336693223 385737227 /nfs/dbraw/zinc/73/72/27/385737227.db2.gz XRYRLXKPKRIANB-UHFFFAOYSA-N 2 2 226.408 2.744 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)CCC1CC1)[N@H+](C)C1CC1 ZINC000186322693 385757136 /nfs/dbraw/zinc/75/71/36/385757136.db2.gz JBSYCEMVADRGNT-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)CCC1CC1)[N@@H+](C)C1CC1 ZINC000186322693 385757138 /nfs/dbraw/zinc/75/71/38/385757138.db2.gz JBSYCEMVADRGNT-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1CCC1 ZINC000414953014 385827201 /nfs/dbraw/zinc/82/72/01/385827201.db2.gz JESDYQQHMANZQQ-MLGOLLRUSA-N 2 2 244.382 2.652 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414954438 385836542 /nfs/dbraw/zinc/83/65/42/385836542.db2.gz MWPWDIVAEOCVES-HIFRSBDPSA-N 2 2 232.371 2.534 20 0 BFADLP CC(C)CCC[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414955472 385836609 /nfs/dbraw/zinc/83/66/09/385836609.db2.gz NDNHARBYAUUIRA-MRXNPFEDSA-N 2 2 246.398 2.899 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c1C ZINC000414957382 385851644 /nfs/dbraw/zinc/85/16/44/385851644.db2.gz QVDAESOKIRTAMC-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1ccc(CCC[NH2+]CC2CCC2)c[nH+]1 ZINC000309690978 385794177 /nfs/dbraw/zinc/79/41/77/385794177.db2.gz JIBYXJPPTVKCIE-UHFFFAOYSA-N 2 2 218.344 2.712 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337986674 385867979 /nfs/dbraw/zinc/86/79/79/385867979.db2.gz POTLRZDMSFUJAF-ZIAGYGMSSA-N 2 2 244.398 2.836 20 0 BFADLP FCCC[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000337985694 385868085 /nfs/dbraw/zinc/86/80/85/385868085.db2.gz BAFQFZFHJNOCMX-ZIAGYGMSSA-N 2 2 242.382 2.590 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337992360 385869685 /nfs/dbraw/zinc/86/96/85/385869685.db2.gz YECJFEJOQKITOI-KGLIPLIRSA-N 2 2 244.398 2.835 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337992360 385869690 /nfs/dbraw/zinc/86/96/90/385869690.db2.gz YECJFEJOQKITOI-KGLIPLIRSA-N 2 2 244.398 2.835 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337992361 385870212 /nfs/dbraw/zinc/87/02/12/385870212.db2.gz YECJFEJOQKITOI-UONOGXRCSA-N 2 2 244.398 2.835 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337992361 385870215 /nfs/dbraw/zinc/87/02/15/385870215.db2.gz YECJFEJOQKITOI-UONOGXRCSA-N 2 2 244.398 2.835 20 0 BFADLP CC(C)(C)C1=CC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000272080450 385873421 /nfs/dbraw/zinc/87/34/21/385873421.db2.gz WEAXBOHEUWFYFK-UHFFFAOYSA-N 2 2 247.386 2.951 20 0 BFADLP CC(C)(C)C1=CC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000272080450 385873422 /nfs/dbraw/zinc/87/34/22/385873422.db2.gz WEAXBOHEUWFYFK-UHFFFAOYSA-N 2 2 247.386 2.951 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000338005062 385877049 /nfs/dbraw/zinc/87/70/49/385877049.db2.gz VXLOKSFQWMXWDY-HUUCEWRRSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H](CCNc1cccc[nH+]1)[NH+]1CCCCC1 ZINC000273221108 385979936 /nfs/dbraw/zinc/97/99/36/385979936.db2.gz UZIYIRNZXPEPAT-CYBMUJFWSA-N 2 2 233.359 2.758 20 0 BFADLP CC(C)C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000335051075 385948468 /nfs/dbraw/zinc/94/84/68/385948468.db2.gz UGSOBDRVSCBJKJ-CQSZACIVSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000335051075 385948473 /nfs/dbraw/zinc/94/84/73/385948473.db2.gz UGSOBDRVSCBJKJ-CQSZACIVSA-N 2 2 224.392 2.593 20 0 BFADLP C[C@H](Nc1ccc2c(c1)CC[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000335052665 385951532 /nfs/dbraw/zinc/95/15/32/385951532.db2.gz FVFRJUUJTKBJIM-FZMZJTMJSA-N 2 2 245.370 2.597 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1C[C@H]1C ZINC000414082311 385952745 /nfs/dbraw/zinc/95/27/45/385952745.db2.gz FMSFGHGEQOCNHI-CXTNEJHOSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1C[C@H]1C ZINC000414082311 385952747 /nfs/dbraw/zinc/95/27/47/385952747.db2.gz FMSFGHGEQOCNHI-CXTNEJHOSA-N 2 2 236.403 2.637 20 0 BFADLP [NH3+][C@@H]1CCCCC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335055005 385954458 /nfs/dbraw/zinc/95/44/58/385954458.db2.gz PRCILKPLNPQMFT-UKRRQHHQSA-N 2 2 245.370 2.727 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1F ZINC000335059525 385961865 /nfs/dbraw/zinc/96/18/65/385961865.db2.gz BUMRFONNASMIGX-VXGBXAGGSA-N 2 2 236.334 2.618 20 0 BFADLP Cc1[nH+]cn(C[C@H]2CCCC[N@H+]2C(C)C)c1C ZINC000335013464 385968176 /nfs/dbraw/zinc/96/81/76/385968176.db2.gz TWBNZCZLMYOXTP-CQSZACIVSA-N 2 2 235.375 2.763 20 0 BFADLP Cc1[nH+]cn(C[C@H]2CCCC[N@@H+]2C(C)C)c1C ZINC000335013464 385968182 /nfs/dbraw/zinc/96/81/82/385968182.db2.gz TWBNZCZLMYOXTP-CQSZACIVSA-N 2 2 235.375 2.763 20 0 BFADLP C[NH+](C)CC1(CNc2cccc[nH+]2)CCCC1 ZINC000273498687 386007209 /nfs/dbraw/zinc/00/72/09/386007209.db2.gz NWLYIMCLFICTFI-UHFFFAOYSA-N 2 2 233.359 2.616 20 0 BFADLP CC[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1C[C@@H]1C ZINC000414115646 386008368 /nfs/dbraw/zinc/00/83/68/386008368.db2.gz PRKABRMVNLCETG-MJBXVCDLSA-N 2 2 247.386 2.908 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@H]1C[C@@H]1C)CCC2 ZINC000414120097 386013466 /nfs/dbraw/zinc/01/34/66/386013466.db2.gz XFNVQAVYTKYAEK-GHYVTOPFSA-N 2 2 247.386 2.703 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC(C)(C)C ZINC000336753169 386020948 /nfs/dbraw/zinc/02/09/48/386020948.db2.gz DVYAJXPGGYVWHP-GFCCVEGCSA-N 2 2 226.408 2.743 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC(C)(C)C ZINC000336753169 386020952 /nfs/dbraw/zinc/02/09/52/386020952.db2.gz DVYAJXPGGYVWHP-GFCCVEGCSA-N 2 2 226.408 2.743 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000643287734 386052907 /nfs/dbraw/zinc/05/29/07/386052907.db2.gz UCMSEDUAZAWJKV-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000643287734 386052912 /nfs/dbraw/zinc/05/29/12/386052912.db2.gz UCMSEDUAZAWJKV-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000334461450 386117195 /nfs/dbraw/zinc/11/71/95/386117195.db2.gz VYIWYVRDVQCFRC-CYBMUJFWSA-N 2 2 234.387 2.536 20 0 BFADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000334461450 386117200 /nfs/dbraw/zinc/11/72/00/386117200.db2.gz VYIWYVRDVQCFRC-CYBMUJFWSA-N 2 2 234.387 2.536 20 0 BFADLP CCC(CC)(CC)C[NH2+][C@@H](CC[NH3+])C(F)F ZINC000414982360 386065288 /nfs/dbraw/zinc/06/52/88/386065288.db2.gz AFOVIVFJASXWOL-JTQLQIEISA-N 2 2 236.350 2.775 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000414217100 386071985 /nfs/dbraw/zinc/07/19/85/386071985.db2.gz AOFWTXSOCARFCA-BPLDGKMQSA-N 2 2 232.371 2.677 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000414217100 386071991 /nfs/dbraw/zinc/07/19/91/386071991.db2.gz AOFWTXSOCARFCA-BPLDGKMQSA-N 2 2 232.371 2.677 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)[C@@H](C)c1ccccc1 ZINC000287031138 386091951 /nfs/dbraw/zinc/09/19/51/386091951.db2.gz LUWCCZPJMSFBLE-BFHYXJOUSA-N 2 2 234.387 2.718 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414984606 386095276 /nfs/dbraw/zinc/09/52/76/386095276.db2.gz VGBUJTWMHHPLJQ-LLVKDONJSA-N 2 2 247.169 2.820 20 0 BFADLP CCCc1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000414661326 386097373 /nfs/dbraw/zinc/09/73/73/386097373.db2.gz PQAKQRMCHJOKBF-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CCCc1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000414661326 386097378 /nfs/dbraw/zinc/09/73/78/386097378.db2.gz PQAKQRMCHJOKBF-HNNXBMFYSA-N 2 2 232.371 2.562 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](CC)C1)C(C)(C)C ZINC000414348536 386138429 /nfs/dbraw/zinc/13/84/29/386138429.db2.gz RZVOTNZJQMWFGU-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000414348536 386138433 /nfs/dbraw/zinc/13/84/33/386138433.db2.gz RZVOTNZJQMWFGU-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000414698933 386202980 /nfs/dbraw/zinc/20/29/80/386202980.db2.gz RCGSRBCVNMDCHW-UKRRQHHQSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCc2ccccc2[C@H]1C ZINC000414698933 386202982 /nfs/dbraw/zinc/20/29/82/386202982.db2.gz RCGSRBCVNMDCHW-UKRRQHHQSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@H](C)C1 ZINC000340283581 386206810 /nfs/dbraw/zinc/20/68/10/386206810.db2.gz LSQYLYYAVRJMBP-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@H](C)C1 ZINC000340283581 386206811 /nfs/dbraw/zinc/20/68/11/386206811.db2.gz LSQYLYYAVRJMBP-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@H](C)C1 ZINC000340283581 386206815 /nfs/dbraw/zinc/20/68/15/386206815.db2.gz LSQYLYYAVRJMBP-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@H](C)C1 ZINC000340283581 386206818 /nfs/dbraw/zinc/20/68/18/386206818.db2.gz LSQYLYYAVRJMBP-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000347119752 386235587 /nfs/dbraw/zinc/23/55/87/386235587.db2.gz DVLUAKKMTURQIH-YDHLFZDLSA-N 2 2 232.371 2.677 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000347119752 386235591 /nfs/dbraw/zinc/23/55/91/386235591.db2.gz DVLUAKKMTURQIH-YDHLFZDLSA-N 2 2 232.371 2.677 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC1CC1 ZINC000289001548 386250092 /nfs/dbraw/zinc/25/00/92/386250092.db2.gz DYWXOTIYEUROBB-UHFFFAOYSA-N 2 2 218.344 2.664 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC1CC1 ZINC000289001548 386250097 /nfs/dbraw/zinc/25/00/97/386250097.db2.gz DYWXOTIYEUROBB-UHFFFAOYSA-N 2 2 218.344 2.664 20 0 BFADLP C[NH2+]C1CC[NH+](C/C=C\c2ccc(F)cc2)CC1 ZINC000347192140 386257491 /nfs/dbraw/zinc/25/74/91/386257491.db2.gz FQSRZSRLHQCDCT-IHWYPQMZSA-N 2 2 248.345 2.523 20 0 BFADLP CCC[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000346299614 386192305 /nfs/dbraw/zinc/19/23/05/386192305.db2.gz BWXAHBIKPQBFJY-AWEZNQCLSA-N 2 2 235.375 2.704 20 0 BFADLP CCC[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000346299614 386192306 /nfs/dbraw/zinc/19/23/06/386192306.db2.gz BWXAHBIKPQBFJY-AWEZNQCLSA-N 2 2 235.375 2.704 20 0 BFADLP C[C@@H](CCC1CCCCC1)[NH2+]CC[NH+](C)C ZINC000336730841 386286148 /nfs/dbraw/zinc/28/61/48/386286148.db2.gz DWSBHFHAMDHNHF-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000298055037 386296059 /nfs/dbraw/zinc/29/60/59/386296059.db2.gz JHMDUWNUJWZMDN-JEYLPNPQSA-N 2 2 246.398 2.646 20 0 BFADLP C[C@@H]([NH2+]Cc1cccc(Cl)c1Cl)[C@H](C)[NH3+] ZINC000415006345 386317845 /nfs/dbraw/zinc/31/78/45/386317845.db2.gz KJWMOBMPBCCTEN-JGVFFNPUSA-N 2 2 247.169 2.819 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000088131711 386320851 /nfs/dbraw/zinc/32/08/51/386320851.db2.gz IDAIQHIUSMOTRX-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000088131711 386320855 /nfs/dbraw/zinc/32/08/55/386320855.db2.gz IDAIQHIUSMOTRX-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1F ZINC000265276486 386324096 /nfs/dbraw/zinc/32/40/96/386324096.db2.gz VZAXXEJERXJIQD-UHFFFAOYSA-N 2 2 238.350 2.599 20 0 BFADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1F ZINC000265276486 386324097 /nfs/dbraw/zinc/32/40/97/386324097.db2.gz VZAXXEJERXJIQD-UHFFFAOYSA-N 2 2 238.350 2.599 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000290182223 386404993 /nfs/dbraw/zinc/40/49/93/386404993.db2.gz ZHNRHQTYKRBQJV-GASCZTMLSA-N 2 2 244.382 2.910 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000290182223 386405001 /nfs/dbraw/zinc/40/50/01/386405001.db2.gz ZHNRHQTYKRBQJV-GASCZTMLSA-N 2 2 244.382 2.910 20 0 BFADLP Cc1ccoc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000266196938 386410741 /nfs/dbraw/zinc/41/07/41/386410741.db2.gz KAZSVECCHCMCFJ-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)CCC1CCCC1 ZINC000336739894 386479750 /nfs/dbraw/zinc/47/97/50/386479750.db2.gz LTFUSBXZOXGEIJ-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000417351338 386491628 /nfs/dbraw/zinc/49/16/28/386491628.db2.gz CHWZKQCDKZPOSZ-CQSZACIVSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417355531 386493440 /nfs/dbraw/zinc/49/34/40/386493440.db2.gz OBJXUTDSZJKTHY-AWEZNQCLSA-N 2 2 246.398 2.610 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Cl)cc1Cl ZINC000415014746 386500464 /nfs/dbraw/zinc/50/04/64/386500464.db2.gz XHTLIOCLSARHSS-SFYZADRCSA-N 2 2 247.169 2.819 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000353529981 386502257 /nfs/dbraw/zinc/50/22/57/386502257.db2.gz LAUGBXVXSIBBMT-RDBSUJKOSA-N 2 2 247.386 2.523 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000353529981 386502264 /nfs/dbraw/zinc/50/22/64/386502264.db2.gz LAUGBXVXSIBBMT-RDBSUJKOSA-N 2 2 247.386 2.523 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000397882686 386520946 /nfs/dbraw/zinc/52/09/46/386520946.db2.gz ZRELFYFGUSXTIM-OAHLLOKOSA-N 2 2 244.382 2.822 20 0 BFADLP Cc1ccc(F)c(C[NH2+][C@H](C[NH3+])C(C)(C)C)c1 ZINC000415053449 386534270 /nfs/dbraw/zinc/53/42/70/386534270.db2.gz JXTGWPFRDHFKMO-CYBMUJFWSA-N 2 2 238.350 2.597 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C[C@@H](C)CC ZINC000415067030 386547193 /nfs/dbraw/zinc/54/71/93/386547193.db2.gz OTONGPRTDBDJJO-SWLSCSKDSA-N 2 2 234.387 2.885 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000063191668 386554239 /nfs/dbraw/zinc/55/42/39/386554239.db2.gz OGRDASQRJXCHPM-GXTWGEPZSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC000063191668 386554242 /nfs/dbraw/zinc/55/42/42/386554242.db2.gz OGRDASQRJXCHPM-GXTWGEPZSA-N 2 2 224.392 2.768 20 0 BFADLP c1c2ccccc2oc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415073423 386559532 /nfs/dbraw/zinc/55/95/32/386559532.db2.gz YLERYJLZWZNEQL-CYBMUJFWSA-N 2 2 244.338 2.665 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CCCC1 ZINC000415072683 386564588 /nfs/dbraw/zinc/56/45/88/386564588.db2.gz YNGNYTDEHQPBPZ-HNNXBMFYSA-N 2 2 232.371 2.781 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cc(F)ccc1F ZINC000414812257 386638984 /nfs/dbraw/zinc/63/89/84/386638984.db2.gz KPEFLADIAHGRFK-GFCCVEGCSA-N 2 2 242.313 2.572 20 0 BFADLP CCC([NH3+])(CC)C[NH2+]Cc1ccccc1Cl ZINC000414808025 386615834 /nfs/dbraw/zinc/61/58/34/386615834.db2.gz RYCMZKZCQXLRFO-UHFFFAOYSA-N 2 2 240.778 2.947 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)oc1C ZINC000335496294 386618486 /nfs/dbraw/zinc/61/84/86/386618486.db2.gz PBSBKMYYBZYPCU-YPMHNXCESA-N 2 2 236.359 2.689 20 0 BFADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)s1 ZINC000050226741 386687329 /nfs/dbraw/zinc/68/73/29/386687329.db2.gz GOMXBOMZCYNNCG-CQSZACIVSA-N 2 2 246.379 2.846 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414826654 386689406 /nfs/dbraw/zinc/68/94/06/386689406.db2.gz FYTOVXJKYXNHBW-OCCSQVGLSA-N 2 2 220.360 2.712 20 0 BFADLP c1ccc2c(c1)CC[NH2+][C@@H]2C[NH2+]C1CCCCC1 ZINC000043596117 386711782 /nfs/dbraw/zinc/71/17/82/386711782.db2.gz QWOLCYPFUNURQS-MRXNPFEDSA-N 2 2 244.382 2.796 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000268838752 386702844 /nfs/dbraw/zinc/70/28/44/386702844.db2.gz TXUKERWDEXAJDY-KBPBESRZSA-N 2 2 235.375 2.996 20 0 BFADLP c1ccc2c(c1)SCC[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326825 386707189 /nfs/dbraw/zinc/70/71/89/386707189.db2.gz KMFPAILTDXCFRR-DGCLKSJQSA-N 2 2 248.395 2.565 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)c(C)c1 ZINC000043327168 386708452 /nfs/dbraw/zinc/70/84/52/386708452.db2.gz FPTSBPOAIDGOQA-KBPBESRZSA-N 2 2 232.371 2.706 20 0 BFADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1sccc1Cl ZINC000414837819 386735815 /nfs/dbraw/zinc/73/58/15/386735815.db2.gz KCTIOMWPUOPIIO-VIFPVBQESA-N 2 2 246.807 2.865 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000325076525 386722351 /nfs/dbraw/zinc/72/23/51/386722351.db2.gz XNYUYNDBCRYDDF-KYOSRNDESA-N 2 2 236.403 2.780 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000325076525 386722355 /nfs/dbraw/zinc/72/23/55/386722355.db2.gz XNYUYNDBCRYDDF-KYOSRNDESA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](C[NH3+])[NH2+]Cc1c(Cl)oc2ccccc21 ZINC000414930956 386767987 /nfs/dbraw/zinc/76/79/87/386767987.db2.gz PRZFZDQLQJQSKP-MRVPVSSYSA-N 2 2 238.718 2.523 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000157192658 386775596 /nfs/dbraw/zinc/77/55/96/386775596.db2.gz JXVNNWUZHMKVQN-RWMBFGLXSA-N 2 2 224.392 2.636 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000157192658 386775600 /nfs/dbraw/zinc/77/56/00/386775600.db2.gz JXVNNWUZHMKVQN-RWMBFGLXSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C/c1ccc(F)cc1 ZINC000414936818 386839483 /nfs/dbraw/zinc/83/94/83/386839483.db2.gz DESJLNNESDIXNG-PCFFYYQISA-N 2 2 248.345 2.569 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c(C)c1 ZINC000358020115 386880701 /nfs/dbraw/zinc/88/07/01/386880701.db2.gz LQBIBJKAHQXOHU-GDBMZVCRSA-N 2 2 246.398 2.652 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c(C)c1 ZINC000358020115 386880702 /nfs/dbraw/zinc/88/07/02/386880702.db2.gz LQBIBJKAHQXOHU-GDBMZVCRSA-N 2 2 246.398 2.652 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H](C)C2CC2)c[nH+]1 ZINC000336739457 386882076 /nfs/dbraw/zinc/88/20/76/386882076.db2.gz LHONNMHEVAFQQA-GFCCVEGCSA-N 2 2 218.344 2.711 20 0 BFADLP CC1CCC([NH2+]CC2([NH+](C)C)CCC2)CC1 ZINC000165170894 386887112 /nfs/dbraw/zinc/88/71/12/386887112.db2.gz CEQPLFFYBAAVJL-UHFFFAOYSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358226522 386915052 /nfs/dbraw/zinc/91/50/52/386915052.db2.gz TWEDNIOYXVTTFH-UHOFOFEASA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358226522 386915056 /nfs/dbraw/zinc/91/50/56/386915056.db2.gz TWEDNIOYXVTTFH-UHOFOFEASA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358226520 386915668 /nfs/dbraw/zinc/91/56/68/386915668.db2.gz TWEDNIOYXVTTFH-RCBQFDQVSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358226520 386915672 /nfs/dbraw/zinc/91/56/72/386915672.db2.gz TWEDNIOYXVTTFH-RCBQFDQVSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1occc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000334849546 386898454 /nfs/dbraw/zinc/89/84/54/386898454.db2.gz UFOFYOKWQBCBDR-UHFFFAOYSA-N 2 2 245.326 2.622 20 0 BFADLP CC[C@@H]1CCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000335761570 386900386 /nfs/dbraw/zinc/90/03/86/386900386.db2.gz ZPIGJAWAEBMWDQ-GFCCVEGCSA-N 2 2 229.327 2.709 20 0 BFADLP CC[C@@H]1CCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000335761570 386900390 /nfs/dbraw/zinc/90/03/90/386900390.db2.gz ZPIGJAWAEBMWDQ-GFCCVEGCSA-N 2 2 229.327 2.709 20 0 BFADLP CC(C)=CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000334857634 386909082 /nfs/dbraw/zinc/90/90/82/386909082.db2.gz QVLOJHZLEZTKLA-UHFFFAOYSA-N 2 2 219.332 2.555 20 0 BFADLP CCCC1(C[NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)CCC1 ZINC000358283753 386927472 /nfs/dbraw/zinc/92/74/72/386927472.db2.gz DJMFZNUOYJTHGE-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC1(C[NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)CCC1 ZINC000358283753 386927475 /nfs/dbraw/zinc/92/74/75/386927475.db2.gz DJMFZNUOYJTHGE-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2Cl)CC[NH2+]1 ZINC000334868845 386928715 /nfs/dbraw/zinc/92/87/15/386928715.db2.gz MUWSOBQUJORPDQ-SCZZXKLOSA-N 2 2 244.791 2.632 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000352907133 386957500 /nfs/dbraw/zinc/95/75/00/386957500.db2.gz YSKSAAXJMZCJLA-TYNCELHUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000352907133 386957504 /nfs/dbraw/zinc/95/75/04/386957504.db2.gz YSKSAAXJMZCJLA-TYNCELHUSA-N 2 2 236.403 2.637 20 0 BFADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccoc2)c2ccccc21 ZINC000125984051 386963608 /nfs/dbraw/zinc/96/36/08/386963608.db2.gz CYTANTJFGVJEQV-KGLIPLIRSA-N 2 2 228.295 2.514 20 0 BFADLP Cc1cc[nH+]c(N[C@H](C)CC[NH+](C)C)c1Cl ZINC000336745816 387006585 /nfs/dbraw/zinc/00/65/85/387006585.db2.gz RAASZDWZZKYWBU-SNVBAGLBSA-N 2 2 241.766 2.796 20 0 BFADLP C/C(Cl)=C/C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528388332 387009566 /nfs/dbraw/zinc/00/95/66/387009566.db2.gz PSJMVUJGJHTYDN-VEIWZVCTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528388332 387009571 /nfs/dbraw/zinc/00/95/71/387009571.db2.gz PSJMVUJGJHTYDN-VEIWZVCTSA-N 2 2 242.794 2.547 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000425372811 387014428 /nfs/dbraw/zinc/01/44/28/387014428.db2.gz KWVBMTYKTLUWFL-QDMKHBRRSA-N 2 2 230.355 2.711 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000053201670 387021058 /nfs/dbraw/zinc/02/10/58/387021058.db2.gz YNJIKFUYJUYUAQ-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000053201670 387021061 /nfs/dbraw/zinc/02/10/61/387021061.db2.gz YNJIKFUYJUYUAQ-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C=CCCC1 ZINC000246335757 387075258 /nfs/dbraw/zinc/07/52/58/387075258.db2.gz DYHHCHNLMLRLBS-KFWWJZLASA-N 2 2 234.387 2.654 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@@H]1C=CCCC1 ZINC000246335757 387075264 /nfs/dbraw/zinc/07/52/64/387075264.db2.gz DYHHCHNLMLRLBS-KFWWJZLASA-N 2 2 234.387 2.654 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H]1C=CCCC1 ZINC000246335757 387075268 /nfs/dbraw/zinc/07/52/68/387075268.db2.gz DYHHCHNLMLRLBS-KFWWJZLASA-N 2 2 234.387 2.654 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1C=CCCC1 ZINC000246335757 387075273 /nfs/dbraw/zinc/07/52/73/387075273.db2.gz DYHHCHNLMLRLBS-KFWWJZLASA-N 2 2 234.387 2.654 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423298913 387130840 /nfs/dbraw/zinc/13/08/40/387130840.db2.gz PFIXRDKQXAAEMA-AAEUAGOBSA-N 2 2 236.359 2.560 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000119056964 387092578 /nfs/dbraw/zinc/09/25/78/387092578.db2.gz QBPRFKXTIZSCNZ-HIFRSBDPSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1F ZINC000020506273 387103371 /nfs/dbraw/zinc/10/33/71/387103371.db2.gz MHHLYLOQTLTWJE-GFCCVEGCSA-N 2 2 247.317 2.763 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000423307602 387144461 /nfs/dbraw/zinc/14/44/61/387144461.db2.gz HJJJMERVAHNPGU-LLVKDONJSA-N 2 2 240.778 2.990 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000423308289 387144542 /nfs/dbraw/zinc/14/45/42/387144542.db2.gz IVICHYJORJBBLO-SWLSCSKDSA-N 2 2 232.371 2.824 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000423310325 387146604 /nfs/dbraw/zinc/14/66/04/387146604.db2.gz NIALSAJOWNEMHS-CYBMUJFWSA-N 2 2 234.387 2.899 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423315343 387153314 /nfs/dbraw/zinc/15/33/14/387153314.db2.gz XHIABNJCZIHBLG-SNVBAGLBSA-N 2 2 242.313 2.615 20 0 BFADLP Cc1ccc([C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)C2CCC2)o1 ZINC000423314905 387154852 /nfs/dbraw/zinc/15/48/52/387154852.db2.gz IBQLSIRRHLSBTL-HIFRSBDPSA-N 2 2 248.370 2.756 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cccc3[nH+]ccn32)[C@@H](C)[C@H]1C ZINC000418135016 387155513 /nfs/dbraw/zinc/15/55/13/387155513.db2.gz QNVOPWITDCEAER-AGIUHOORSA-N 2 2 243.354 2.811 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H](C)[C@H]1C ZINC000418135016 387155517 /nfs/dbraw/zinc/15/55/17/387155517.db2.gz QNVOPWITDCEAER-AGIUHOORSA-N 2 2 243.354 2.811 20 0 BFADLP C[NH2+]CCC[N@H+](C)Cc1cccc(Cl)c1F ZINC000229248151 387162735 /nfs/dbraw/zinc/16/27/35/387162735.db2.gz LXVAINBCBPBTDN-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP C[NH2+]CCC[N@@H+](C)Cc1cccc(Cl)c1F ZINC000229248151 387162739 /nfs/dbraw/zinc/16/27/39/387162739.db2.gz LXVAINBCBPBTDN-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353239569 387164510 /nfs/dbraw/zinc/16/45/10/387164510.db2.gz WXYJLOQSEALTRE-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000353239569 387164515 /nfs/dbraw/zinc/16/45/15/387164515.db2.gz WXYJLOQSEALTRE-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC[NH+]1CCCC1 ZINC000187099423 387170714 /nfs/dbraw/zinc/17/07/14/387170714.db2.gz UDVNCQYOXAOZLQ-HUUCEWRRSA-N 2 2 236.403 2.664 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CCC1)c1csc(Cl)c1 ZINC000423330667 387174968 /nfs/dbraw/zinc/17/49/68/387174968.db2.gz PPHGWVUDHJUCBR-QMMMGPOBSA-N 2 2 244.791 2.934 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1cccc(Cl)c1F ZINC000423333289 387179414 /nfs/dbraw/zinc/17/94/14/387179414.db2.gz RKBFGRGFTSFJJM-LDYMZIIASA-N 2 2 244.741 2.867 20 0 BFADLP CSc1ccc([C@@H](C)[NH2+][C@H](C)C[NH3+])cc1F ZINC000423338510 387185862 /nfs/dbraw/zinc/18/58/62/387185862.db2.gz VXHIJDDVFMNLEQ-RKDXNWHRSA-N 2 2 242.363 2.545 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)C1CCCCC1 ZINC000120118017 387186009 /nfs/dbraw/zinc/18/60/09/387186009.db2.gz QBPKRMHCIZIMNC-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)C1CCCCC1 ZINC000120118017 387186013 /nfs/dbraw/zinc/18/60/13/387186013.db2.gz QBPKRMHCIZIMNC-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)oc1C ZINC000423354410 387205076 /nfs/dbraw/zinc/20/50/76/387205076.db2.gz CWIBAJUKNUZBLX-XHVZSJERSA-N 2 2 236.359 2.545 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c1C ZINC000423354545 387205618 /nfs/dbraw/zinc/20/56/18/387205618.db2.gz CYBJIDGETFCSFX-IVMMDQJWSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1C ZINC000423354544 387206032 /nfs/dbraw/zinc/20/60/32/387206032.db2.gz CYBJIDGETFCSFX-INWMFGNUSA-N 2 2 246.398 2.952 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423357583 387208155 /nfs/dbraw/zinc/20/81/55/387208155.db2.gz INUHHMGHEFUKKI-AEGPPILISA-N 2 2 232.371 2.725 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)s1 ZINC000423358675 387210443 /nfs/dbraw/zinc/21/04/43/387210443.db2.gz JRKWHLFWZIIEMJ-DLOVCJGASA-N 2 2 238.400 2.705 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000423358666 387210758 /nfs/dbraw/zinc/21/07/58/387210758.db2.gz JQLQYEDWPXGSRE-DUVNUKRYSA-N 2 2 246.398 2.952 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423359836 387211202 /nfs/dbraw/zinc/21/12/02/387211202.db2.gz PQVKCHGZPVUTDK-ZENOOKHLSA-N 2 2 244.382 2.967 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC3CCC2CC3)C[N@@H+]1C1CC1 ZINC000336795687 387214493 /nfs/dbraw/zinc/21/44/93/387214493.db2.gz MNGJUNGZGMZGCR-XXFVBUCDSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC3CCC2CC3)C[N@H+]1C1CC1 ZINC000336795687 387214497 /nfs/dbraw/zinc/21/44/97/387214497.db2.gz MNGJUNGZGMZGCR-XXFVBUCDSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c2ccccc21 ZINC000423366241 387219389 /nfs/dbraw/zinc/21/93/89/387219389.db2.gz QAVAPBXAFIESAO-SHUKQUCYSA-N 2 2 244.382 2.823 20 0 BFADLP CCSc1ccccc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423369323 387220200 /nfs/dbraw/zinc/22/02/00/387220200.db2.gz OHMDVHDSVJKXJG-QWRGUYRKSA-N 2 2 238.400 2.796 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@@H](C)C[NH3+])C2CCCC2)o1 ZINC000423368072 387221953 /nfs/dbraw/zinc/22/19/53/387221953.db2.gz MZWCKFDLICXBEX-HZMBPMFUSA-N 2 2 236.359 2.756 20 0 BFADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423369334 387222824 /nfs/dbraw/zinc/22/28/24/387222824.db2.gz OIAAFIHVVIPFFE-YUMQZZPRSA-N 2 2 247.169 2.991 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000423370946 387224483 /nfs/dbraw/zinc/22/44/83/387224483.db2.gz FBKRNVMNMYKHGO-ZOWXZIJZSA-N 2 2 232.371 2.508 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423372000 387225945 /nfs/dbraw/zinc/22/59/45/387225945.db2.gz VRPOQPCCVZFJSA-DVOMOZLQSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000336406165 387235986 /nfs/dbraw/zinc/23/59/86/387235986.db2.gz YYZHDPSJUQWHLN-ZWNOBZJWSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000336406165 387235988 /nfs/dbraw/zinc/23/59/88/387235988.db2.gz YYZHDPSJUQWHLN-ZWNOBZJWSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccccc1Cl ZINC000336406082 387236365 /nfs/dbraw/zinc/23/63/65/387236365.db2.gz XWSYAPNEQDXIDV-MFKMUULPSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccccc1Cl ZINC000336406082 387236368 /nfs/dbraw/zinc/23/63/68/387236368.db2.gz XWSYAPNEQDXIDV-MFKMUULPSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccco1 ZINC000423403677 387239967 /nfs/dbraw/zinc/23/99/67/387239967.db2.gz ZHJNVFDLDAPDLL-WCQYABFASA-N 2 2 236.359 2.708 20 0 BFADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccoc1 ZINC000353650386 387248151 /nfs/dbraw/zinc/24/81/51/387248151.db2.gz WNCZZHYXFPPTFW-CQSZACIVSA-N 2 2 236.359 2.586 20 0 BFADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccoc1 ZINC000353650386 387248159 /nfs/dbraw/zinc/24/81/59/387248159.db2.gz WNCZZHYXFPPTFW-CQSZACIVSA-N 2 2 236.359 2.586 20 0 BFADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccoc1 ZINC000353650386 387248162 /nfs/dbraw/zinc/24/81/62/387248162.db2.gz WNCZZHYXFPPTFW-CQSZACIVSA-N 2 2 236.359 2.586 20 0 BFADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccoc1 ZINC000353650386 387248167 /nfs/dbraw/zinc/24/81/67/387248167.db2.gz WNCZZHYXFPPTFW-CQSZACIVSA-N 2 2 236.359 2.586 20 0 BFADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccoc1 ZINC000353650385 387249253 /nfs/dbraw/zinc/24/92/53/387249253.db2.gz WNCZZHYXFPPTFW-AWEZNQCLSA-N 2 2 236.359 2.586 20 0 BFADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccoc1 ZINC000353650385 387249257 /nfs/dbraw/zinc/24/92/57/387249257.db2.gz WNCZZHYXFPPTFW-AWEZNQCLSA-N 2 2 236.359 2.586 20 0 BFADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccoc1 ZINC000353650385 387249260 /nfs/dbraw/zinc/24/92/60/387249260.db2.gz WNCZZHYXFPPTFW-AWEZNQCLSA-N 2 2 236.359 2.586 20 0 BFADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccoc1 ZINC000353650385 387249263 /nfs/dbraw/zinc/24/92/63/387249263.db2.gz WNCZZHYXFPPTFW-AWEZNQCLSA-N 2 2 236.359 2.586 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000423462184 387310302 /nfs/dbraw/zinc/31/03/02/387310302.db2.gz KPCKIKOENSAQBM-HTQZYQBOSA-N 2 2 232.780 2.789 20 0 BFADLP CCc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000261552047 387310309 /nfs/dbraw/zinc/31/03/09/387310309.db2.gz MBSCLLRUVGNSQQ-HOTGVXAUSA-N 2 2 246.398 2.898 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000423462186 387310800 /nfs/dbraw/zinc/31/08/00/387310800.db2.gz KPCKIKOENSAQBM-SFYZADRCSA-N 2 2 232.780 2.789 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H](C)[NH2+]CC)c1cccnc1 ZINC000423378434 387259938 /nfs/dbraw/zinc/25/99/38/387259938.db2.gz LBPZKVAQOYMRNP-OCCSQVGLSA-N 2 2 235.375 2.510 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000423384718 387267691 /nfs/dbraw/zinc/26/76/91/387267691.db2.gz QIUPPJGCUKVAOR-OCCSQVGLSA-N 2 2 234.387 2.952 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(F)ccc1F ZINC000423384523 387269384 /nfs/dbraw/zinc/26/93/84/387269384.db2.gz GBBAUUJBGLEUGJ-TVQRCGJNSA-N 2 2 242.313 2.599 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2c1cccc2C ZINC000423386556 387271563 /nfs/dbraw/zinc/27/15/63/387271563.db2.gz SCHCUHXZUFWDLG-IUODEOHRSA-N 2 2 232.371 2.570 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(CC)s1 ZINC000423387090 387272393 /nfs/dbraw/zinc/27/23/93/387272393.db2.gz SJNKAHNGNQHUTJ-MNOVXSKESA-N 2 2 240.416 2.959 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000423391564 387276142 /nfs/dbraw/zinc/27/61/42/387276142.db2.gz XBQIKPGAVLKGAI-CHWSQXEVSA-N 2 2 246.398 2.824 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccccn1 ZINC000423390656 387277001 /nfs/dbraw/zinc/27/70/01/387277001.db2.gz OUCRAXPYCVAEBN-GXTWGEPZSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccccn1 ZINC000423390885 387277350 /nfs/dbraw/zinc/27/73/50/387277350.db2.gz OUCRAXPYCVAEBN-OCCSQVGLSA-N 2 2 247.386 2.510 20 0 BFADLP c1cn(CCC[NH2+]C(C2CCC2)C2CCC2)c[nH+]1 ZINC000302539795 387284071 /nfs/dbraw/zinc/28/40/71/387284071.db2.gz SVUFCBUTRNSAPF-UHFFFAOYSA-N 2 2 247.386 2.832 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000423440128 387289583 /nfs/dbraw/zinc/28/95/83/387289583.db2.gz APEAKRLIYGHKQK-IONNQARKSA-N 2 2 232.780 2.789 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C(C)C ZINC000423439730 387291484 /nfs/dbraw/zinc/29/14/84/387291484.db2.gz VKWJNVDUWKEYDO-CVEARBPZSA-N 2 2 246.398 2.898 20 0 BFADLP CC[C@H]([NH2+][C@H](C)[C@H](C)[NH3+])c1ccccc1F ZINC000423448558 387298209 /nfs/dbraw/zinc/29/82/09/387298209.db2.gz QLFMXWQZTBQTJX-CWSCBRNRSA-N 2 2 224.323 2.602 20 0 BFADLP Cc1ccc(CCC[NH2+]CCc2ccco2)c[nH+]1 ZINC000353931015 387300242 /nfs/dbraw/zinc/30/02/42/387300242.db2.gz PVWOJVWOTNTUPH-UHFFFAOYSA-N 2 2 244.338 2.748 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccccc1Cl ZINC000423456969 387303885 /nfs/dbraw/zinc/30/38/85/387303885.db2.gz FCCPLGDHFLFOLK-NXEZZACHSA-N 2 2 226.751 2.728 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000423458159 387305852 /nfs/dbraw/zinc/30/58/52/387305852.db2.gz GLCDDBPJSKYWNL-TZMCWYRMSA-N 2 2 248.370 2.536 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000423458437 387305883 /nfs/dbraw/zinc/30/58/83/387305883.db2.gz GXGNSNFILGABIT-ZYHUDNBSSA-N 2 2 232.327 2.821 20 0 BFADLP CCC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000643501827 387355174 /nfs/dbraw/zinc/35/51/74/387355174.db2.gz QRQQKAFJOHSDSL-CABCVRRESA-N 2 2 247.386 2.655 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000643502080 387356581 /nfs/dbraw/zinc/35/65/81/387356581.db2.gz XCRZCFMDYITQDO-GJZGRUSLSA-N 2 2 247.386 2.510 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000643502626 387365217 /nfs/dbraw/zinc/36/52/17/387365217.db2.gz LTUGWEGNFOTVHO-QWHCGFSZSA-N 2 2 238.400 2.931 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cs1 ZINC000643502467 387365532 /nfs/dbraw/zinc/36/55/32/387365532.db2.gz HHJZZWWBIIATSK-AAEUAGOBSA-N 2 2 238.400 2.849 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000643502624 387366965 /nfs/dbraw/zinc/36/69/65/387366965.db2.gz LTUGWEGNFOTVHO-CHWSQXEVSA-N 2 2 238.400 2.931 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000423553768 387373247 /nfs/dbraw/zinc/37/32/47/387373247.db2.gz KZGJYGVKZHMJNY-HIFRSBDPSA-N 2 2 232.371 2.788 20 0 BFADLP Fc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423555181 387375281 /nfs/dbraw/zinc/37/52/81/387375281.db2.gz LWNUWGVQAXKIPU-DZGCQCFKSA-N 2 2 248.345 2.545 20 0 BFADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423556878 387376135 /nfs/dbraw/zinc/37/61/35/387376135.db2.gz MWBNIFXBQLORBF-HOCLYGCPSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000423472445 387319529 /nfs/dbraw/zinc/31/95/29/387319529.db2.gz QEBWCLXWBSTLAA-YPMHNXCESA-N 2 2 243.354 2.623 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000336497349 387322421 /nfs/dbraw/zinc/32/24/21/387322421.db2.gz YWZFLPPWWHIELS-GHMZBOCLSA-N 2 2 247.367 2.610 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000336497352 387322973 /nfs/dbraw/zinc/32/29/73/387322973.db2.gz YWZFLPPWWHIELS-WDEREUQCSA-N 2 2 247.367 2.610 20 0 BFADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccs1 ZINC000336497351 387323064 /nfs/dbraw/zinc/32/30/64/387323064.db2.gz YWZFLPPWWHIELS-QWRGUYRKSA-N 2 2 247.367 2.610 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)c1csc(Cl)c1)[C@H](C)[NH3+] ZINC000423476453 387324069 /nfs/dbraw/zinc/32/40/69/387324069.db2.gz SMECKGMCFXBKKV-RNJXMRFFSA-N 2 2 232.780 2.788 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000423476452 387324766 /nfs/dbraw/zinc/32/47/66/387324766.db2.gz SMECKGMCFXBKKV-PRJMDXOYSA-N 2 2 232.780 2.788 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000423497879 387340509 /nfs/dbraw/zinc/34/05/09/387340509.db2.gz HNNPNVUCQGOEJW-SHUKQUCYSA-N 2 2 246.398 2.883 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000423507785 387345024 /nfs/dbraw/zinc/34/50/24/387345024.db2.gz QKRDEGLHRNGEAV-SWLSCSKDSA-N 2 2 247.386 2.558 20 0 BFADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643500876 387347013 /nfs/dbraw/zinc/34/70/13/387347013.db2.gz DICTYSBAZMFQPF-HIFRSBDPSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)CC2 ZINC000643468950 387424873 /nfs/dbraw/zinc/42/48/73/387424873.db2.gz PUKYBPVTPJONCA-VBNZEHGJSA-N 2 2 244.382 2.712 20 0 BFADLP c1ccc2c(c1)CCCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506542 387461750 /nfs/dbraw/zinc/46/17/50/387461750.db2.gz AKODJSXTFQHWCT-MRXNPFEDSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccs1 ZINC000643506484 387460088 /nfs/dbraw/zinc/46/00/88/387460088.db2.gz YLEDJZNFBSKBHH-LLVKDONJSA-N 2 2 224.373 2.541 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1CC1 ZINC000083054710 387397232 /nfs/dbraw/zinc/39/72/32/387397232.db2.gz YGKOOEZEFNRDHG-KGLIPLIRSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]1 ZINC000643455937 387497157 /nfs/dbraw/zinc/49/71/57/387497157.db2.gz AQHNEWQIUVRKLF-FZMZJTMJSA-N 2 2 244.338 2.663 20 0 BFADLP FCCCCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000375350608 387532597 /nfs/dbraw/zinc/53/25/97/387532597.db2.gz XRXONTMSSVDTGS-UHFFFAOYSA-N 2 2 239.338 2.729 20 0 BFADLP CC[NH+](CC)CC[NH2+]C(C1CCC1)C1CCC1 ZINC000310494538 387538256 /nfs/dbraw/zinc/53/82/56/387538256.db2.gz JWHZOGAXMMYCAI-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP c1ccc2c(c1)SCC[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643505889 387464669 /nfs/dbraw/zinc/46/46/69/387464669.db2.gz CNYMSELBOFOBNY-CYBMUJFWSA-N 2 2 248.395 2.565 20 0 BFADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1cccc(Cl)c1 ZINC000643505972 387464703 /nfs/dbraw/zinc/46/47/03/387464703.db2.gz GLQQEEVSSAHNOE-SNVBAGLBSA-N 2 2 238.762 2.743 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1 ZINC000643506251 387465231 /nfs/dbraw/zinc/46/52/31/387465231.db2.gz PQFYEUSMWSJAPF-OAHLLOKOSA-N 2 2 232.371 2.869 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccsc1 ZINC000643507903 387480414 /nfs/dbraw/zinc/48/04/14/387480414.db2.gz VSWIFZDAKRIIBL-CYBMUJFWSA-N 2 2 238.400 2.931 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2cccnc21 ZINC000643514558 387598723 /nfs/dbraw/zinc/59/87/23/387598723.db2.gz QTBPUAPUPXGQNU-ZIAGYGMSSA-N 2 2 247.386 2.566 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000422552926 387598992 /nfs/dbraw/zinc/59/89/92/387598992.db2.gz IQGLDSYRQUBAKY-MLGOLLRUSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@](C[NH3+])([NH2+]Cc1ccccc1Cl)C1CC1 ZINC000430579609 387631467 /nfs/dbraw/zinc/63/14/67/387631467.db2.gz CKJCJXJUMJOKTN-CYBMUJFWSA-N 2 2 238.762 2.557 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000123013986 387636319 /nfs/dbraw/zinc/63/63/19/387636319.db2.gz RYTQRLGJRBZZLM-OBJOEFQTSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000123013986 387636328 /nfs/dbraw/zinc/63/63/28/387636328.db2.gz RYTQRLGJRBZZLM-OBJOEFQTSA-N 2 2 236.403 2.780 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000430696283 387640118 /nfs/dbraw/zinc/64/01/18/387640118.db2.gz PYDBSPYRPRITFH-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000422734253 387643236 /nfs/dbraw/zinc/64/32/36/387643236.db2.gz SQBXIGCAWBNWKR-UHOFOFEASA-N 2 2 244.382 2.652 20 0 BFADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC000376517092 387647148 /nfs/dbraw/zinc/64/71/48/387647148.db2.gz HJJPCPUSVFGYSY-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC000376517092 387647150 /nfs/dbraw/zinc/64/71/50/387647150.db2.gz HJJPCPUSVFGYSY-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(C)c1 ZINC000422788477 387653850 /nfs/dbraw/zinc/65/38/50/387653850.db2.gz VLNNVIZGCHOIAH-BLLLJJGKSA-N 2 2 246.398 2.699 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527670653 387654229 /nfs/dbraw/zinc/65/42/29/387654229.db2.gz MEQNIAKDESJUCS-PVOYIKSTSA-N 2 2 248.414 2.636 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527670653 387654233 /nfs/dbraw/zinc/65/42/33/387654233.db2.gz MEQNIAKDESJUCS-PVOYIKSTSA-N 2 2 248.414 2.636 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2c1cccc2F)[C@@H]1CCC[NH2+]1 ZINC000422765390 387665120 /nfs/dbraw/zinc/66/51/20/387665120.db2.gz PDMWVSDLWSNISO-NZVBXONLSA-N 2 2 248.345 2.543 20 0 BFADLP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1F ZINC000422769960 387668067 /nfs/dbraw/zinc/66/80/67/387668067.db2.gz VSNRYXCRLWRRTG-KGLIPLIRSA-N 2 2 236.334 2.575 20 0 BFADLP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1F ZINC000422769962 387670048 /nfs/dbraw/zinc/67/00/48/387670048.db2.gz VSNRYXCRLWRRTG-ZIAGYGMSSA-N 2 2 236.334 2.575 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044684130 387688126 /nfs/dbraw/zinc/68/81/26/387688126.db2.gz OHSKECZAPMTTMW-UKRRQHHQSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000044684130 387688129 /nfs/dbraw/zinc/68/81/29/387688129.db2.gz OHSKECZAPMTTMW-UKRRQHHQSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044687832 387688142 /nfs/dbraw/zinc/68/81/42/387688142.db2.gz UARJPVIRXOPGGU-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044687832 387688144 /nfs/dbraw/zinc/68/81/44/387688144.db2.gz UARJPVIRXOPGGU-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP c1ccc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000422788153 387690972 /nfs/dbraw/zinc/69/09/72/387690972.db2.gz SEAHPIKMMQHIOQ-HZPDHXFCSA-N 2 2 244.382 2.869 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)C(C)C ZINC000163516113 387693255 /nfs/dbraw/zinc/69/32/55/387693255.db2.gz HUCUQRWOFSVBNN-CYBMUJFWSA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)C(C)C ZINC000163516113 387693256 /nfs/dbraw/zinc/69/32/56/387693256.db2.gz HUCUQRWOFSVBNN-CYBMUJFWSA-N 2 2 214.397 2.743 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+]CC1([NH+](C)C)CC1 ZINC000418114044 387693900 /nfs/dbraw/zinc/69/39/00/387693900.db2.gz KOYXPCNEDNDNDN-KAMYIIQDSA-N 2 2 244.382 2.774 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000222011258 387747098 /nfs/dbraw/zinc/74/70/98/387747098.db2.gz GJBNRVMYGJDFFU-HZSPNIEDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000222011258 387747102 /nfs/dbraw/zinc/74/71/02/387747102.db2.gz GJBNRVMYGJDFFU-HZSPNIEDSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC(CCC)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000377798029 387749907 /nfs/dbraw/zinc/74/99/07/387749907.db2.gz CPNBHUGMPMFCPK-LBPRGKRZSA-N 2 2 235.375 2.825 20 0 BFADLP CCCC(CCC)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000377798029 387749914 /nfs/dbraw/zinc/74/99/14/387749914.db2.gz CPNBHUGMPMFCPK-LBPRGKRZSA-N 2 2 235.375 2.825 20 0 BFADLP CC(C)CC[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367789855 387753299 /nfs/dbraw/zinc/75/32/99/387753299.db2.gz DDEKEHMXFNVJOT-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CC[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367789855 387753304 /nfs/dbraw/zinc/75/33/04/387753304.db2.gz DDEKEHMXFNVJOT-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527847273 387753724 /nfs/dbraw/zinc/75/37/24/387753724.db2.gz INKGXKWFMFHFTR-MCIONIFRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000527786363 387711772 /nfs/dbraw/zinc/71/17/72/387711772.db2.gz DXOMUIMBEFINDP-KFWWJZLASA-N 2 2 248.414 2.948 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000527786363 387711775 /nfs/dbraw/zinc/71/17/75/387711775.db2.gz DXOMUIMBEFINDP-KFWWJZLASA-N 2 2 248.414 2.948 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527862992 387738262 /nfs/dbraw/zinc/73/82/62/387738262.db2.gz POEUJSXRFFDTDW-MGPQQGTHSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527862992 387738268 /nfs/dbraw/zinc/73/82/68/387738268.db2.gz POEUJSXRFFDTDW-MGPQQGTHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)[C@@H]1CC12CC2 ZINC000527868884 387740214 /nfs/dbraw/zinc/74/02/14/387740214.db2.gz UOADHBMNURKUNY-XQQFMLRXSA-N 2 2 245.370 2.539 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527876926 387767739 /nfs/dbraw/zinc/76/77/39/387767739.db2.gz WALQXPQCDJGZDN-JSGCOSHPSA-N 2 2 230.355 2.711 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)Sc2sccc21 ZINC000643528975 387772555 /nfs/dbraw/zinc/77/25/55/387772555.db2.gz SCEFYYWIIRUDLE-KHQFGBGNSA-N 2 2 242.413 2.610 20 0 BFADLP c1cn(CC[NH+]2CCC(C3CCCC3)CC2)c[nH+]1 ZINC000378336607 387775593 /nfs/dbraw/zinc/77/55/93/387775593.db2.gz RRYNDSHRCQOJDL-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CC12CC2 ZINC000527893071 387775875 /nfs/dbraw/zinc/77/58/75/387775875.db2.gz BYDVCEYWQSPEOT-QEJZJMRPSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CC12CC2 ZINC000527893071 387775878 /nfs/dbraw/zinc/77/58/78/387775878.db2.gz BYDVCEYWQSPEOT-QEJZJMRPSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000643529399 387778086 /nfs/dbraw/zinc/77/80/86/387778086.db2.gz ZINCAPZZQPXHBN-HTQZYQBOSA-N 2 2 247.169 2.991 20 0 BFADLP CC1CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000527952714 387783697 /nfs/dbraw/zinc/78/36/97/387783697.db2.gz VIDHEHHVGHNIEJ-SSDMNJCBSA-N 2 2 236.403 2.782 20 0 BFADLP CC1CC([NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000527952714 387783702 /nfs/dbraw/zinc/78/37/02/387783702.db2.gz VIDHEHHVGHNIEJ-SSDMNJCBSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C1(c2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000422946364 387786117 /nfs/dbraw/zinc/78/61/17/387786117.db2.gz WMYADSUMIWIHBC-UKRRQHHQSA-N 2 2 244.382 2.796 20 0 BFADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528001221 387807442 /nfs/dbraw/zinc/80/74/42/387807442.db2.gz LZNYMWXRZSIMSJ-HNKHHVNMSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CCC[C@H]2C[C@H]21)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528001221 387807447 /nfs/dbraw/zinc/80/74/47/387807447.db2.gz LZNYMWXRZSIMSJ-HNKHHVNMSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528001223 387808423 /nfs/dbraw/zinc/80/84/23/387808423.db2.gz LZNYMWXRZSIMSJ-LCGIIJARSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[C@H]2C[C@H]21)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528001223 387808425 /nfs/dbraw/zinc/80/84/25/387808425.db2.gz LZNYMWXRZSIMSJ-LCGIIJARSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000442658885 387810766 /nfs/dbraw/zinc/81/07/66/387810766.db2.gz AGCUUCUKNIVFFX-UHIISALHSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@@H]1c1cccc(F)c1 ZINC000442658885 387810768 /nfs/dbraw/zinc/81/07/68/387810768.db2.gz AGCUUCUKNIVFFX-UHIISALHSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422960197 387811536 /nfs/dbraw/zinc/81/15/36/387811536.db2.gz VPFBGSGZZWKDTQ-RISCZKNCSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@H](C)[NH3+])oc2c1 ZINC000643526702 387758650 /nfs/dbraw/zinc/75/86/50/387758650.db2.gz FAESOGNLNLYMPM-QWRGUYRKSA-N 2 2 232.327 2.739 20 0 BFADLP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H](C)[NH3+])oc2c1 ZINC000643526700 387758714 /nfs/dbraw/zinc/75/87/14/387758714.db2.gz FAESOGNLNLYMPM-GHMZBOCLSA-N 2 2 232.327 2.739 20 0 BFADLP C[C@@H]1CC[N@H+](CC2=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000645837211 387759031 /nfs/dbraw/zinc/75/90/31/387759031.db2.gz LFQRHARHMNKCHX-HIFRSBDPSA-N 2 2 245.370 2.876 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000645837211 387759036 /nfs/dbraw/zinc/75/90/36/387759036.db2.gz LFQRHARHMNKCHX-HIFRSBDPSA-N 2 2 245.370 2.876 20 0 BFADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527859322 387760580 /nfs/dbraw/zinc/76/05/80/387760580.db2.gz OSDDSOGQWKFIEU-MCIONIFRSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528011518 387823701 /nfs/dbraw/zinc/82/37/01/387823701.db2.gz LXNYDOMPJORMEK-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528011518 387823707 /nfs/dbraw/zinc/82/37/07/387823707.db2.gz LXNYDOMPJORMEK-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528209134 387871658 /nfs/dbraw/zinc/87/16/58/387871658.db2.gz LVPRKUMMXYYTDD-AWEZNQCLSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528209134 387871661 /nfs/dbraw/zinc/87/16/61/387871661.db2.gz LVPRKUMMXYYTDD-AWEZNQCLSA-N 2 2 245.370 2.819 20 0 BFADLP CCOc1ccc([C@H]2CCC[N@@H+]2C[C@H](C)[NH3+])cc1 ZINC000442660090 387816163 /nfs/dbraw/zinc/81/61/63/387816163.db2.gz LUJOGIKVISBEDT-SWLSCSKDSA-N 2 2 248.370 2.569 20 0 BFADLP CCOc1ccc([C@H]2CCC[N@H+]2C[C@H](C)[NH3+])cc1 ZINC000442660090 387816167 /nfs/dbraw/zinc/81/61/67/387816167.db2.gz LUJOGIKVISBEDT-SWLSCSKDSA-N 2 2 248.370 2.569 20 0 BFADLP CCOc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](C)[NH3+])cc1 ZINC000442660088 387816952 /nfs/dbraw/zinc/81/69/52/387816952.db2.gz LUJOGIKVISBEDT-DOMZBBRYSA-N 2 2 248.370 2.569 20 0 BFADLP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H](C)[NH3+])cc1 ZINC000442660088 387816958 /nfs/dbraw/zinc/81/69/58/387816958.db2.gz LUJOGIKVISBEDT-DOMZBBRYSA-N 2 2 248.370 2.569 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000424174894 387879105 /nfs/dbraw/zinc/87/91/05/387879105.db2.gz PPPGYUXIBMGGAP-UJDVCPFMSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000424174894 387879109 /nfs/dbraw/zinc/87/91/09/387879109.db2.gz PPPGYUXIBMGGAP-UJDVCPFMSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000396667960 387940373 /nfs/dbraw/zinc/94/03/73/387940373.db2.gz POKAWKQIBCQHEH-ZWNOBZJWSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000226316139 387945073 /nfs/dbraw/zinc/94/50/73/387945073.db2.gz BODLAWOCOPLGSE-HOCLYGCPSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000226316139 387945078 /nfs/dbraw/zinc/94/50/78/387945078.db2.gz BODLAWOCOPLGSE-HOCLYGCPSA-N 2 2 246.398 2.692 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423178638 387963928 /nfs/dbraw/zinc/96/39/28/387963928.db2.gz CHBIPCQMYSGXSP-VNHYZAJKSA-N 2 2 244.382 2.885 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)o1 ZINC000423177085 387964033 /nfs/dbraw/zinc/96/40/33/387964033.db2.gz ABRUDXOYYNJVDP-ZFWWWQNUSA-N 2 2 248.370 2.771 20 0 BFADLP [NH3+]CC[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000423186426 387971364 /nfs/dbraw/zinc/97/13/64/387971364.db2.gz OCIDBDHBFPAIEH-CQSZACIVSA-N 2 2 236.334 2.605 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423197268 387981323 /nfs/dbraw/zinc/98/13/23/387981323.db2.gz YRAZZQKKRVPKDG-LSDHHAIUSA-N 2 2 232.371 2.788 20 0 BFADLP c1cn(CCC[NH2+][C@@H](C2CC2)C2CCCC2)c[nH+]1 ZINC000453054360 387972941 /nfs/dbraw/zinc/97/29/41/387972941.db2.gz HOHGXUZLWBZFSC-OAHLLOKOSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@H]2CC[NH2+]C2)C2CCC2)cc1 ZINC000423206193 387991917 /nfs/dbraw/zinc/99/19/17/387991917.db2.gz COAVPMCTJFRDTI-HOTGVXAUSA-N 2 2 244.382 2.788 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000423196621 387982691 /nfs/dbraw/zinc/98/26/91/387982691.db2.gz VSYPAFWFEXQEFL-GHMZBOCLSA-N 2 2 238.400 2.713 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000423197506 387983500 /nfs/dbraw/zinc/98/35/00/387983500.db2.gz ZQOAGLAQWOZNKQ-HIFRSBDPSA-N 2 2 232.371 2.706 20 0 BFADLP CCCc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423201993 387987217 /nfs/dbraw/zinc/98/72/17/387987217.db2.gz JYZHRBWMNPBDIQ-SWLSCSKDSA-N 2 2 232.371 2.652 20 0 BFADLP COc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424371314 387997267 /nfs/dbraw/zinc/99/72/67/387997267.db2.gz FRHKLWRPVYBKDN-MRVWCRGKSA-N 2 2 248.370 2.616 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)Cn1cc[nH+]c1 ZINC000245982735 387999600 /nfs/dbraw/zinc/99/96/00/387999600.db2.gz YURCXDIRLKORHC-LJISPDSOSA-N 2 2 249.402 2.934 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000423222371 388002474 /nfs/dbraw/zinc/00/24/74/388002474.db2.gz ASPNYYMNULAIBV-SECBINFHSA-N 2 2 246.276 2.575 20 0 BFADLP CCCC[C@@H]([NH2+]CC[NH2+]C)c1ccccc1 ZINC000423223080 388003461 /nfs/dbraw/zinc/00/34/61/388003461.db2.gz DSKGPSUYAVMQCE-CQSZACIVSA-N 2 2 220.360 2.727 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccncc1 ZINC000453192103 388006528 /nfs/dbraw/zinc/00/65/28/388006528.db2.gz IRHIUTNVQBMMCK-VHDGCEQUSA-N 2 2 247.386 2.605 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccncc1 ZINC000453192103 388006532 /nfs/dbraw/zinc/00/65/32/388006532.db2.gz IRHIUTNVQBMMCK-VHDGCEQUSA-N 2 2 247.386 2.605 20 0 BFADLP CCc1ccc([C@H]([NH2+]CC[NH2+]C)C(C)C)cc1 ZINC000423224749 388007162 /nfs/dbraw/zinc/00/71/62/388007162.db2.gz KDHFEWOVKDJPDL-OAHLLOKOSA-N 2 2 234.387 2.755 20 0 BFADLP C[NH2+]CC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000423225038 388007550 /nfs/dbraw/zinc/00/75/50/388007550.db2.gz LABRAGOLGXDOCQ-UHFFFAOYSA-N 2 2 238.334 2.565 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000156602356 388009809 /nfs/dbraw/zinc/00/98/09/388009809.db2.gz FTIKCGILSQMKCJ-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000156602356 388009813 /nfs/dbraw/zinc/00/98/13/388009813.db2.gz FTIKCGILSQMKCJ-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000423241797 388024762 /nfs/dbraw/zinc/02/47/62/388024762.db2.gz ILYUKPHXBWSBTD-HNNXBMFYSA-N 2 2 232.371 2.645 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000423243804 388025560 /nfs/dbraw/zinc/02/55/60/388025560.db2.gz KIUFMGLXWZNYRW-AWEZNQCLSA-N 2 2 236.359 2.628 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081623894 388011467 /nfs/dbraw/zinc/01/14/67/388011467.db2.gz ZYQPHFYTNWRBNK-GJZGRUSLSA-N 2 2 238.419 2.887 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](CC(C)C)c1ccccc1C ZINC000423227821 388014059 /nfs/dbraw/zinc/01/40/59/388014059.db2.gz XDSQTHXVUQTVAP-HNNXBMFYSA-N 2 2 234.387 2.891 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000423230913 388015598 /nfs/dbraw/zinc/01/55/98/388015598.db2.gz FRJBSUPIXPAKIB-HIFRSBDPSA-N 2 2 232.371 2.706 20 0 BFADLP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000423230497 388015765 /nfs/dbraw/zinc/01/57/65/388015765.db2.gz DTEJYWFYQSLFIJ-YPMHNXCESA-N 2 2 248.370 2.635 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1csc(Cl)c1 ZINC000423232229 388016440 /nfs/dbraw/zinc/01/64/40/388016440.db2.gz HWNMDJTTWDSUTH-WCBMZHEXSA-N 2 2 244.791 2.804 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c1 ZINC000423230915 388016546 /nfs/dbraw/zinc/01/65/46/388016546.db2.gz FRJBSUPIXPAKIB-ZFWWWQNUSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000423230941 388016659 /nfs/dbraw/zinc/01/66/59/388016659.db2.gz ABFUANZKOFERGF-WCQYABFASA-N 2 2 220.360 2.711 20 0 BFADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@H]1C[C@H]1C ZINC000423243139 388025894 /nfs/dbraw/zinc/02/58/94/388025894.db2.gz GHNCDDJNDOTQKU-UNQGMJICSA-N 2 2 232.371 2.711 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000423231425 388016885 /nfs/dbraw/zinc/01/68/85/388016885.db2.gz GSALZXTWNPNQBJ-OAHLLOKOSA-N 2 2 246.398 2.998 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000423234412 388018421 /nfs/dbraw/zinc/01/84/21/388018421.db2.gz LTCYFSOPGNNWJK-RYUDHWBXSA-N 2 2 224.373 2.541 20 0 BFADLP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423233835 388018962 /nfs/dbraw/zinc/01/89/62/388018962.db2.gz KMDLPRATBYASNC-HIFRSBDPSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(C)c1 ZINC000423235246 388019287 /nfs/dbraw/zinc/01/92/87/388019287.db2.gz NATMMAMPTHOGKV-HUUCEWRRSA-N 2 2 232.371 2.788 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000423234410 388019369 /nfs/dbraw/zinc/01/93/69/388019369.db2.gz LTCYFSOPGNNWJK-NEPJUHHUSA-N 2 2 224.373 2.541 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc(C2CC2)c1 ZINC000423238228 388022722 /nfs/dbraw/zinc/02/27/22/388022722.db2.gz QXUSPXLXQMSTSF-LBPRGKRZSA-N 2 2 232.371 2.824 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000423238650 388023138 /nfs/dbraw/zinc/02/31/38/388023138.db2.gz RMCDYAIBLJJBFZ-KBPBESRZSA-N 2 2 236.334 2.618 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000246236054 388023558 /nfs/dbraw/zinc/02/35/58/388023558.db2.gz NLOLIEJEPISTPE-LSDHHAIUSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@H](C)C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000246236054 388023559 /nfs/dbraw/zinc/02/35/59/388023559.db2.gz NLOLIEJEPISTPE-LSDHHAIUSA-N 2 2 238.419 2.983 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423248879 388032173 /nfs/dbraw/zinc/03/21/73/388032173.db2.gz RFNNKLUXJZAFSM-JTQLQIEISA-N 2 2 249.383 2.556 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1C[C@@H](C)c2c1cccc2C ZINC000423252538 388033755 /nfs/dbraw/zinc/03/37/55/388033755.db2.gz XXDWJXYXYNRNQT-OCCSQVGLSA-N 2 2 232.371 2.742 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccccc1Cl ZINC000423259738 388039350 /nfs/dbraw/zinc/03/93/50/388039350.db2.gz FSODKBVEMFTXOL-GXFFZTMASA-N 2 2 240.778 2.974 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1cccc(CC(C)C)c1 ZINC000423243358 388026294 /nfs/dbraw/zinc/02/62/94/388026294.db2.gz KETNEJSFOZSMCR-CYBMUJFWSA-N 2 2 234.387 2.755 20 0 BFADLP Fc1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1 ZINC000423244454 388027980 /nfs/dbraw/zinc/02/79/80/388027980.db2.gz XNYWENAKNTVGKN-CABCVRRESA-N 2 2 248.345 2.618 20 0 BFADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H]1CCCc2occc21 ZINC000423272534 388051644 /nfs/dbraw/zinc/05/16/44/388051644.db2.gz ZBYBCUDGDDJOBS-WCQYABFASA-N 2 2 236.359 2.620 20 0 BFADLP CCc1cccnc1[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423272154 388051982 /nfs/dbraw/zinc/05/19/82/388051982.db2.gz YUNYXGXWYUBYFA-OCCSQVGLSA-N 2 2 249.402 2.668 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)oc1C ZINC000423278323 388060100 /nfs/dbraw/zinc/06/01/00/388060100.db2.gz QQLOMBIPOYMAJC-CMPLNLGQSA-N 2 2 224.348 2.530 20 0 BFADLP CC(C)C[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccccn1 ZINC000423280679 388061405 /nfs/dbraw/zinc/06/14/05/388061405.db2.gz UHWZECTWNHLSIM-HIFRSBDPSA-N 2 2 249.402 2.742 20 0 BFADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1csc(Cl)c1 ZINC000423284904 388068701 /nfs/dbraw/zinc/06/87/01/388068701.db2.gz XKMGZVOQMUMRKR-XCBNKYQSSA-N 2 2 244.791 2.789 20 0 BFADLP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1csc(Cl)c1 ZINC000423284903 388068877 /nfs/dbraw/zinc/06/88/77/388068877.db2.gz XKMGZVOQMUMRKR-OIBJUYFYSA-N 2 2 244.791 2.789 20 0 BFADLP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccccc1F ZINC000423287006 388071991 /nfs/dbraw/zinc/07/19/91/388071991.db2.gz JVILEXVOEVJSML-NSHDSACASA-N 2 2 238.350 2.994 20 0 BFADLP CSCCC[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000336658600 388078929 /nfs/dbraw/zinc/07/89/29/388078929.db2.gz BQJCCYICYPORMK-UHFFFAOYSA-N 2 2 238.400 2.665 20 0 BFADLP Cc1cccc(C)c1C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000536892962 388081263 /nfs/dbraw/zinc/08/12/63/388081263.db2.gz ITQZUTDSLNNUJZ-ZDUSSCGKSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1cccc(C)c1C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000536892962 388081265 /nfs/dbraw/zinc/08/12/65/388081265.db2.gz ITQZUTDSLNNUJZ-ZDUSSCGKSA-N 2 2 246.398 2.735 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000447895978 388101201 /nfs/dbraw/zinc/10/12/01/388101201.db2.gz FJEPRZLIDRGCNY-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447895978 388101202 /nfs/dbraw/zinc/10/12/02/388101202.db2.gz FJEPRZLIDRGCNY-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000447905485 388101384 /nfs/dbraw/zinc/10/13/84/388101384.db2.gz UJRXXKXEILPIOK-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000447905485 388101388 /nfs/dbraw/zinc/10/13/88/388101388.db2.gz UJRXXKXEILPIOK-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000086662514 388105557 /nfs/dbraw/zinc/10/55/57/388105557.db2.gz ZLSZSYATWDBPAU-PWSUYJOCSA-N 2 2 221.348 2.714 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)o1 ZINC000423266406 388046217 /nfs/dbraw/zinc/04/62/17/388046217.db2.gz RXMQIJBWXGFQQU-DGCLKSJQSA-N 2 2 238.375 2.920 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000449260605 388164107 /nfs/dbraw/zinc/16/41/07/388164107.db2.gz XECVCGFREKYAMK-KGLIPLIRSA-N 2 2 247.386 2.756 20 0 BFADLP CC[C@@H]([NH2+]CCCc1ccc(C)[nH+]c1)C(F)F ZINC000449364963 388183115 /nfs/dbraw/zinc/18/31/15/388183115.db2.gz UOVJOROAHSCNKK-GFCCVEGCSA-N 2 2 242.313 2.956 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@H]1CCCC[C@H]1C ZINC000449101169 388141797 /nfs/dbraw/zinc/14/17/97/388141797.db2.gz DLTQOGTWLSFMEE-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@H]1CCCC[C@H]1C ZINC000449101169 388141799 /nfs/dbraw/zinc/14/17/99/388141799.db2.gz DLTQOGTWLSFMEE-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646139432 388154297 /nfs/dbraw/zinc/15/42/97/388154297.db2.gz SXGJGELKUDMMML-OAHLLOKOSA-N 2 2 247.386 2.846 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000646139432 388154299 /nfs/dbraw/zinc/15/42/99/388154299.db2.gz SXGJGELKUDMMML-OAHLLOKOSA-N 2 2 247.386 2.846 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646140056 388154777 /nfs/dbraw/zinc/15/47/77/388154777.db2.gz QADVEVKVGOEDFO-HNNXBMFYSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000646140056 388154780 /nfs/dbraw/zinc/15/47/80/388154780.db2.gz QADVEVKVGOEDFO-HNNXBMFYSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H](C)C(C)(F)F)c[nH+]1 ZINC000449416432 388198796 /nfs/dbraw/zinc/19/87/96/388198796.db2.gz SZVHNMGEXLRJJL-NSHDSACASA-N 2 2 242.313 2.956 20 0 BFADLP CCC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000449415833 388198984 /nfs/dbraw/zinc/19/89/84/388198984.db2.gz QORLMNNTJOBFRE-UHFFFAOYSA-N 2 2 247.367 2.966 20 0 BFADLP CC/C=C\C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000449452362 388209207 /nfs/dbraw/zinc/20/92/07/388209207.db2.gz FUSAABVNSLTAPR-ARJAWSKDSA-N 2 2 247.367 2.990 20 0 BFADLP CC(C)[C@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000449554109 388229700 /nfs/dbraw/zinc/22/97/00/388229700.db2.gz AJABRQXPMWSJNN-IHRRRGAJSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)C ZINC000451443592 388274087 /nfs/dbraw/zinc/27/40/87/388274087.db2.gz ZRJRBTPQZIHGFS-LBPRGKRZSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000235459190 388369817 /nfs/dbraw/zinc/36/98/17/388369817.db2.gz POIQYYSNBZWGMX-SFYZADRCSA-N 2 2 247.169 2.991 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C1CC1)C1CCCC1 ZINC000572850307 388381814 /nfs/dbraw/zinc/38/18/14/388381814.db2.gz VCQVEILCBBCVBP-GFCCVEGCSA-N 2 2 224.392 2.767 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C1CC1)C1CCCC1 ZINC000572850307 388381816 /nfs/dbraw/zinc/38/18/16/388381816.db2.gz VCQVEILCBBCVBP-GFCCVEGCSA-N 2 2 224.392 2.767 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+](CC)CC[NH3+] ZINC000300850471 388398580 /nfs/dbraw/zinc/39/85/80/388398580.db2.gz SOOCONUJWKBGFP-CYBMUJFWSA-N 2 2 224.323 2.557 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+](CC)CC[NH3+] ZINC000300850471 388398582 /nfs/dbraw/zinc/39/85/82/388398582.db2.gz SOOCONUJWKBGFP-CYBMUJFWSA-N 2 2 224.323 2.557 20 0 BFADLP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccoc1 ZINC000165621705 388406899 /nfs/dbraw/zinc/40/68/99/388406899.db2.gz QXGZBDWNAFIUEP-GFCCVEGCSA-N 2 2 248.370 2.805 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)C1CCC1 ZINC000322686106 388444312 /nfs/dbraw/zinc/44/43/12/388444312.db2.gz KVTRPISJLRWDQG-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)C1CCC1 ZINC000322686106 388444315 /nfs/dbraw/zinc/44/43/15/388444315.db2.gz KVTRPISJLRWDQG-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000308618450 388444830 /nfs/dbraw/zinc/44/48/30/388444830.db2.gz WNWDAPALOAWKQU-CYBMUJFWSA-N 2 2 234.387 2.720 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCC1=CCCCC1 ZINC000308631467 388446438 /nfs/dbraw/zinc/44/64/38/388446438.db2.gz MRCNPQCSJLYUPE-UHFFFAOYSA-N 2 2 224.392 2.807 20 0 BFADLP Cc1cc2[nH+]cn(CC[C@@H]3CC[NH2+]C3)c2cc1C ZINC000335661841 388453516 /nfs/dbraw/zinc/45/35/16/388453516.db2.gz WDVWUHNZVCSLBP-ZDUSSCGKSA-N 2 2 243.354 2.653 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000309606048 388459155 /nfs/dbraw/zinc/45/91/55/388459155.db2.gz LGQUAWDWKJVIEY-MELADBBJSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CC(C)(C)C[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000309691974 388461368 /nfs/dbraw/zinc/46/13/68/388461368.db2.gz QAXTVZJGXLXCTI-QWHCGFSZSA-N 2 2 226.408 2.598 20 0 BFADLP CC(C)CC(C)(C)C[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000309691974 388461371 /nfs/dbraw/zinc/46/13/71/388461371.db2.gz QAXTVZJGXLXCTI-QWHCGFSZSA-N 2 2 226.408 2.598 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000397524421 388475927 /nfs/dbraw/zinc/47/59/27/388475927.db2.gz HFKMAJYZXWYYGK-GXTWGEPZSA-N 2 2 232.371 2.957 20 0 BFADLP C/C(Cl)=C/C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000528516427 388539268 /nfs/dbraw/zinc/53/92/68/388539268.db2.gz JRQZDEJKZPMWOG-VEIWZVCTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000528516427 388539270 /nfs/dbraw/zinc/53/92/70/388539270.db2.gz JRQZDEJKZPMWOG-VEIWZVCTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000528516427 388539272 /nfs/dbraw/zinc/53/92/72/388539272.db2.gz JRQZDEJKZPMWOG-VEIWZVCTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000528516427 388539274 /nfs/dbraw/zinc/53/92/74/388539274.db2.gz JRQZDEJKZPMWOG-VEIWZVCTSA-N 2 2 242.794 2.547 20 0 BFADLP C(=C\c1ccccc1)\C[NH2+]CC[N@H+]1CC=CCC1 ZINC000355543520 388547269 /nfs/dbraw/zinc/54/72/69/388547269.db2.gz GYIVMDFIDHTJKX-YFHOEESVSA-N 2 2 242.366 2.551 20 0 BFADLP C(=C\c1ccccc1)\C[NH2+]CC[N@@H+]1CC=CCC1 ZINC000355543520 388547271 /nfs/dbraw/zinc/54/72/71/388547271.db2.gz GYIVMDFIDHTJKX-YFHOEESVSA-N 2 2 242.366 2.551 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]CC1([NH+](C)C)CC1)CC2 ZINC000397845583 388505191 /nfs/dbraw/zinc/50/51/91/388505191.db2.gz IETKHORPVGHEQR-OAHLLOKOSA-N 2 2 244.382 2.666 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)[C@H]1CC1(C)C ZINC000397854686 388506701 /nfs/dbraw/zinc/50/67/01/388506701.db2.gz SVNQKRNNZWRMMK-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CCCC1 ZINC000397876031 388508148 /nfs/dbraw/zinc/50/81/48/388508148.db2.gz IADJYFFDXDPHCV-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397887555 388508998 /nfs/dbraw/zinc/50/89/98/388508998.db2.gz OFEALXDYAZDTLC-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000397905724 388510841 /nfs/dbraw/zinc/51/08/41/388510841.db2.gz VSCAXRHOFSDLRW-OLZOCXBDSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)CC ZINC000577818644 388524811 /nfs/dbraw/zinc/52/48/11/388524811.db2.gz BLISVCXVAOJAMH-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)C(C)(C)CC ZINC000577818644 388524813 /nfs/dbraw/zinc/52/48/13/388524813.db2.gz BLISVCXVAOJAMH-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000516988583 388530945 /nfs/dbraw/zinc/53/09/45/388530945.db2.gz ZWKWESCWWNGFGL-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000516988583 388530947 /nfs/dbraw/zinc/53/09/47/388530947.db2.gz ZWKWESCWWNGFGL-RDBSUJKOSA-N 2 2 238.419 2.743 20 0 BFADLP CCC[C@@H](C)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000187663852 388610873 /nfs/dbraw/zinc/61/08/73/388610873.db2.gz RJKUOYXAYWYUDR-GFCCVEGCSA-N 2 2 221.348 2.709 20 0 BFADLP C[C@@H]1C[C@@H](C)C[NH+](CCn2cc[nH+]c2C2CC2)C1 ZINC000530131371 388615080 /nfs/dbraw/zinc/61/50/80/388615080.db2.gz ZUFWGSDHOMMISY-CHWSQXEVSA-N 2 2 247.386 2.738 20 0 BFADLP C[C@H]1C[C@H](C)C[NH+](CCn2cc[nH+]c2C2CC2)C1 ZINC000530131373 388615117 /nfs/dbraw/zinc/61/51/17/388615117.db2.gz ZUFWGSDHOMMISY-STQMWFEESA-N 2 2 247.386 2.738 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884861 388567700 /nfs/dbraw/zinc/56/77/00/388567700.db2.gz LIUYHJKVYZBJDH-BARDWOONSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884861 388567701 /nfs/dbraw/zinc/56/77/01/388567701.db2.gz LIUYHJKVYZBJDH-BARDWOONSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@@H]1C(C)C)[NH+](C)C ZINC000552239987 388686121 /nfs/dbraw/zinc/68/61/21/388686121.db2.gz IKZAPTLXECYXGA-RBSFLKMASA-N 2 2 240.435 2.987 20 0 BFADLP CCC(CC)C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000125652031 388672722 /nfs/dbraw/zinc/67/27/22/388672722.db2.gz YMGGFGSANYXRTC-GFCCVEGCSA-N 2 2 223.364 2.545 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530178624 388621492 /nfs/dbraw/zinc/62/14/92/388621492.db2.gz PEUIWJWFHCPPHU-HNNXBMFYSA-N 2 2 244.382 2.678 20 0 BFADLP c1cc2c(o1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530214864 388629498 /nfs/dbraw/zinc/62/94/98/388629498.db2.gz DGRAIFKTHGPFFN-GXTWGEPZSA-N 2 2 246.354 2.531 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000530386850 388652678 /nfs/dbraw/zinc/65/26/78/388652678.db2.gz SBRJEODLIOEUMS-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCC23CCCC3)C1 ZINC000530386850 388652680 /nfs/dbraw/zinc/65/26/80/388652680.db2.gz SBRJEODLIOEUMS-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088207 388653123 /nfs/dbraw/zinc/65/31/23/388653123.db2.gz ZEAMWQRLJFRACW-CYBMUJFWSA-N 2 2 228.424 2.987 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000246899150 388654751 /nfs/dbraw/zinc/65/47/51/388654751.db2.gz FTIKCGILSQMKCJ-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000246899150 388654752 /nfs/dbraw/zinc/65/47/52/388654752.db2.gz FTIKCGILSQMKCJ-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccoc1 ZINC000537944190 388654962 /nfs/dbraw/zinc/65/49/62/388654962.db2.gz RHTCJCDFJXXEFE-LBPRGKRZSA-N 2 2 230.311 2.876 20 0 BFADLP C[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)[N@H+](C)C1CC1 ZINC000247186008 388660809 /nfs/dbraw/zinc/66/08/09/388660809.db2.gz ZQBNWNSFXIEKTM-SFDCQRBFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000247186008 388660812 /nfs/dbraw/zinc/66/08/12/388660812.db2.gz ZQBNWNSFXIEKTM-SFDCQRBFSA-N 2 2 238.419 2.883 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCCC[C@H]1C ZINC000249337116 388716586 /nfs/dbraw/zinc/71/65/86/388716586.db2.gz IJKYATGENVOWGJ-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCCC[C@H]1C ZINC000249337116 388716587 /nfs/dbraw/zinc/71/65/87/388716587.db2.gz IJKYATGENVOWGJ-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000554093388 388799310 /nfs/dbraw/zinc/79/93/10/388799310.db2.gz ZITJPZYKROSUQS-GJZGRUSLSA-N 2 2 248.414 2.856 20 0 BFADLP CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000253159121 388806638 /nfs/dbraw/zinc/80/66/38/388806638.db2.gz QYWQGLXXBPYFIO-RDBSUJKOSA-N 2 2 235.375 2.955 20 0 BFADLP CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000253159121 388806643 /nfs/dbraw/zinc/80/66/43/388806643.db2.gz QYWQGLXXBPYFIO-RDBSUJKOSA-N 2 2 235.375 2.955 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000253191783 388808595 /nfs/dbraw/zinc/80/85/95/388808595.db2.gz MOYZBNVSYOKFRC-YIYPIFLZSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000253191783 388808597 /nfs/dbraw/zinc/80/85/97/388808597.db2.gz MOYZBNVSYOKFRC-YIYPIFLZSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000253191779 388808617 /nfs/dbraw/zinc/80/86/17/388808617.db2.gz MOYZBNVSYOKFRC-MQYQWHSLSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000253191779 388808621 /nfs/dbraw/zinc/80/86/21/388808621.db2.gz MOYZBNVSYOKFRC-MQYQWHSLSA-N 2 2 236.403 2.780 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)[C@H](C)CC ZINC000252714684 388775412 /nfs/dbraw/zinc/77/54/12/388775412.db2.gz SPXWDLVHCCUXLB-OLZOCXBDSA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)[C@H](C)CC ZINC000252714684 388775416 /nfs/dbraw/zinc/77/54/16/388775416.db2.gz SPXWDLVHCCUXLB-OLZOCXBDSA-N 2 2 214.397 2.743 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000252859976 388790080 /nfs/dbraw/zinc/79/00/80/388790080.db2.gz MRBPUUXIBCMBKY-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]1CCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000129264921 388827711 /nfs/dbraw/zinc/82/77/11/388827711.db2.gz YGVVQAFQLQAIKL-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)CC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000069311446 388832072 /nfs/dbraw/zinc/83/20/72/388832072.db2.gz CTRWLTGHIXPVKQ-OAHLLOKOSA-N 2 2 232.371 2.591 20 0 BFADLP CC(C)CC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000069311446 388832075 /nfs/dbraw/zinc/83/20/75/388832075.db2.gz CTRWLTGHIXPVKQ-OAHLLOKOSA-N 2 2 232.371 2.591 20 0 BFADLP C(=C/c1ccccc1)\C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335554119 533351150 /nfs/dbraw/zinc/35/11/50/533351150.db2.gz DCQZZLDOJKRQEI-QPJJXVBHSA-N 2 2 242.366 2.528 20 0 BFADLP C[C@@H]1CCCC[C@]1(C)[NH2+]CCCn1cc[nH+]c1 ZINC000308714432 533632171 /nfs/dbraw/zinc/63/21/71/533632171.db2.gz SXWCAPSEVQCYTE-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@H](C)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340595309 132222200 /nfs/dbraw/zinc/22/22/00/132222200.db2.gz KBMMFSAEVHNTQE-ZDUSSCGKSA-N 2 2 247.386 2.558 20 0 BFADLP CC(C)[C@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932209 132342970 /nfs/dbraw/zinc/34/29/70/132342970.db2.gz FDCUKOKFVOQQDY-ZDUSSCGKSA-N 2 2 247.386 2.685 20 0 BFADLP c1csc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353209 322841545 /nfs/dbraw/zinc/84/15/45/322841545.db2.gz GFOGXNFEBQKADL-UHFFFAOYSA-N 2 2 235.356 2.515 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C[C@H]2CC=CCC2)C1 ZINC000335997568 134042912 /nfs/dbraw/zinc/04/29/12/134042912.db2.gz JTEVLNWKPCUXEV-UONOGXRCSA-N 2 2 245.370 2.566 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C[C@H]2CC=CCC2)C1 ZINC000335997568 134042913 /nfs/dbraw/zinc/04/29/13/134042913.db2.gz JTEVLNWKPCUXEV-UONOGXRCSA-N 2 2 245.370 2.566 20 0 BFADLP CC1(C)CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000336103089 134083747 /nfs/dbraw/zinc/08/37/47/134083747.db2.gz KFUSYPHCGFBYQR-CYBMUJFWSA-N 2 2 247.386 2.756 20 0 BFADLP Cc1ccccc1C1CC([NH2+][C@H](C)C[NH+](C)C)C1 ZINC000168543077 134225723 /nfs/dbraw/zinc/22/57/23/134225723.db2.gz OADLRWDZQMBFCS-WLYUNCDWSA-N 2 2 246.398 2.781 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000168616323 134232152 /nfs/dbraw/zinc/23/21/52/134232152.db2.gz ZCTIMBVEGNCSNJ-ZIAGYGMSSA-N 2 2 234.387 2.720 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH+](C)C)c1ccc(C)cc1 ZINC000168757029 134247877 /nfs/dbraw/zinc/24/78/77/134247877.db2.gz SBKRKGRTLIPMSR-HIFRSBDPSA-N 2 2 234.387 2.986 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217504059 134248991 /nfs/dbraw/zinc/24/89/91/134248991.db2.gz BSYQEJSOFMLULT-KGLIPLIRSA-N 2 2 236.334 2.700 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217504059 134248992 /nfs/dbraw/zinc/24/89/92/134248992.db2.gz BSYQEJSOFMLULT-KGLIPLIRSA-N 2 2 236.334 2.700 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1C ZINC000172038929 134264459 /nfs/dbraw/zinc/26/44/59/134264459.db2.gz XDOSYLKUOQINMJ-GFCCVEGCSA-N 2 2 229.327 2.877 20 0 BFADLP c1ccc([N@H+](CC2CC2)CC2CC[NH2+]CC2)cc1 ZINC000178976168 134314030 /nfs/dbraw/zinc/31/40/30/134314030.db2.gz MRPFWIQKTUVPIC-UHFFFAOYSA-N 2 2 244.382 2.903 20 0 BFADLP c1ccc([N@@H+](CC2CC2)CC2CC[NH2+]CC2)cc1 ZINC000178976168 134314031 /nfs/dbraw/zinc/31/40/31/134314031.db2.gz MRPFWIQKTUVPIC-UHFFFAOYSA-N 2 2 244.382 2.903 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000221649541 134325666 /nfs/dbraw/zinc/32/56/66/134325666.db2.gz NOTFYCJCQUMCHY-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000221649541 134325667 /nfs/dbraw/zinc/32/56/67/134325667.db2.gz NOTFYCJCQUMCHY-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000222034814 134329218 /nfs/dbraw/zinc/32/92/18/134329218.db2.gz KCIDHOAEMJOQDE-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP CC[NH+](CC)CCSc1[nH+]cc2ccccn21 ZINC000181310801 134335282 /nfs/dbraw/zinc/33/52/82/134335282.db2.gz GBVRLXIDIODHBN-UHFFFAOYSA-N 2 2 249.383 2.768 20 0 BFADLP c1cn(CCC[N@@H+]2CCC3(CCCC3)C2)c[nH+]1 ZINC000182803554 134344839 /nfs/dbraw/zinc/34/48/39/134344839.db2.gz NVKYCYSLAKFXJD-UHFFFAOYSA-N 2 2 233.359 2.539 20 0 BFADLP c1cn(CCC[N@H+]2CCC3(CCCC3)C2)c[nH+]1 ZINC000182803554 134344840 /nfs/dbraw/zinc/34/48/40/134344840.db2.gz NVKYCYSLAKFXJD-UHFFFAOYSA-N 2 2 233.359 2.539 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227170916 134374592 /nfs/dbraw/zinc/37/45/92/134374592.db2.gz GIVUUGVMTDBFHG-IHRRRGAJSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000227170916 134374593 /nfs/dbraw/zinc/37/45/93/134374593.db2.gz GIVUUGVMTDBFHG-IHRRRGAJSA-N 2 2 224.392 2.624 20 0 BFADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]21 ZINC000248420557 135007586 /nfs/dbraw/zinc/00/75/86/135007586.db2.gz LUKYMYHFIQEZBR-RBSFLKMASA-N 2 2 247.386 2.784 20 0 BFADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@@H]21 ZINC000248420557 135007587 /nfs/dbraw/zinc/00/75/87/135007587.db2.gz LUKYMYHFIQEZBR-RBSFLKMASA-N 2 2 247.386 2.784 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]([NH3+])CC(C)C)c1nccs1 ZINC000070733377 135012265 /nfs/dbraw/zinc/01/22/65/135012265.db2.gz GUWKSGVBKINNKH-GHMZBOCLSA-N 2 2 241.404 2.557 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H]1C ZINC000252177089 135085625 /nfs/dbraw/zinc/08/56/25/135085625.db2.gz PFDBJMACMSSHCH-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)CC[C@@H]([N@@H+]2CCC[NH+]3CCC[C@H]3C2)C1 ZINC000252816532 135111654 /nfs/dbraw/zinc/11/16/54/135111654.db2.gz WUTCDYCWHVAKRO-KGLIPLIRSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@@H]([N@H+]2CCC[NH+]3CCC[C@H]3C2)C1 ZINC000252816532 135111655 /nfs/dbraw/zinc/11/16/55/135111655.db2.gz WUTCDYCWHVAKRO-KGLIPLIRSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@@H]([NH+]2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC000252816532 135111656 /nfs/dbraw/zinc/11/16/56/135111656.db2.gz WUTCDYCWHVAKRO-KGLIPLIRSA-N 2 2 236.403 2.735 20 0 BFADLP CC1(C)CC[C@@H]([NH+]2CCC[N@H+]3CCC[C@H]3C2)C1 ZINC000252816532 135111657 /nfs/dbraw/zinc/11/16/57/135111657.db2.gz WUTCDYCWHVAKRO-KGLIPLIRSA-N 2 2 236.403 2.735 20 0 BFADLP CSc1ccccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000261823051 135112583 /nfs/dbraw/zinc/11/25/83/135112583.db2.gz IMQFJEPWTGXCMJ-UHFFFAOYSA-N 2 2 238.400 2.578 20 0 BFADLP CSc1ccccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000261823051 135112585 /nfs/dbraw/zinc/11/25/85/135112585.db2.gz IMQFJEPWTGXCMJ-UHFFFAOYSA-N 2 2 238.400 2.578 20 0 BFADLP CC(C)(C)CC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000252961415 135117417 /nfs/dbraw/zinc/11/74/17/135117417.db2.gz ODUHCSMKFASFHQ-ZDUSSCGKSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)(C)CC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000252961415 135117418 /nfs/dbraw/zinc/11/74/18/135117418.db2.gz ODUHCSMKFASFHQ-ZDUSSCGKSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)(C)CC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000252961415 135117419 /nfs/dbraw/zinc/11/74/19/135117419.db2.gz ODUHCSMKFASFHQ-ZDUSSCGKSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)(C)CC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000252961415 135117420 /nfs/dbraw/zinc/11/74/20/135117420.db2.gz ODUHCSMKFASFHQ-ZDUSSCGKSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CC[N@H+](C[C@@H](C)[NH3+])C1CCCC1 ZINC000087286671 135119629 /nfs/dbraw/zinc/11/96/29/135119629.db2.gz PTGCJSSLXPMUOA-GFCCVEGCSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CC[N@@H+](C[C@@H](C)[NH3+])C1CCCC1 ZINC000087286671 135119630 /nfs/dbraw/zinc/11/96/30/135119630.db2.gz PTGCJSSLXPMUOA-GFCCVEGCSA-N 2 2 212.381 2.624 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1csc2ccccc12 ZINC000258805172 135134651 /nfs/dbraw/zinc/13/46/51/135134651.db2.gz RUSBMZVEEAXKHN-JTQLQIEISA-N 2 2 234.368 2.680 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1csc2ccccc12 ZINC000258805172 135134653 /nfs/dbraw/zinc/13/46/53/135134653.db2.gz RUSBMZVEEAXKHN-JTQLQIEISA-N 2 2 234.368 2.680 20 0 BFADLP C[NH2+]CCC[N@H+](C)Cc1ccc(F)cc1Cl ZINC000087472702 135142475 /nfs/dbraw/zinc/14/24/75/135142475.db2.gz HQYSSFQFPUEVBH-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(F)cc1Cl ZINC000087472702 135142477 /nfs/dbraw/zinc/14/24/77/135142477.db2.gz HQYSSFQFPUEVBH-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP CC(C)Cc1ccc(C[N@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000259988931 135145905 /nfs/dbraw/zinc/14/59/05/135145905.db2.gz JBWULFAVIPSLRF-ZDUSSCGKSA-N 2 2 234.387 2.664 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1 ZINC000259988931 135145906 /nfs/dbraw/zinc/14/59/06/135145906.db2.gz JBWULFAVIPSLRF-ZDUSSCGKSA-N 2 2 234.387 2.664 20 0 BFADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000259947769 135146056 /nfs/dbraw/zinc/14/60/56/135146056.db2.gz GMMFXLIKXXWZCB-GFCCVEGCSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000259947769 135146058 /nfs/dbraw/zinc/14/60/58/135146058.db2.gz GMMFXLIKXXWZCB-GFCCVEGCSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1Cl ZINC000261538865 135176999 /nfs/dbraw/zinc/17/69/99/135176999.db2.gz ZRAVGMMGPYNHFW-VIFPVBQESA-N 2 2 226.751 2.728 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261539627 135178806 /nfs/dbraw/zinc/17/88/06/135178806.db2.gz AOXPSIFGCAFQIT-IUODEOHRSA-N 2 2 232.371 2.589 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261539627 135178807 /nfs/dbraw/zinc/17/88/07/135178807.db2.gz AOXPSIFGCAFQIT-IUODEOHRSA-N 2 2 232.371 2.589 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000261581873 135222114 /nfs/dbraw/zinc/22/21/14/135222114.db2.gz QVPPVVXXINDDAQ-HUUCEWRRSA-N 2 2 244.382 2.652 20 0 BFADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1ccccc1Cl ZINC000261586650 135227776 /nfs/dbraw/zinc/22/77/76/135227776.db2.gz RGZJZLAJHGNDNK-CYBMUJFWSA-N 2 2 240.778 2.803 20 0 BFADLP FC1(CC[NH2+]Cc2cccc3[nH+]ccn32)CCC1 ZINC000342235258 135254729 /nfs/dbraw/zinc/25/47/29/135254729.db2.gz VBRLFYZCXRYHOA-UHFFFAOYSA-N 2 2 247.317 2.706 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000342400881 135271909 /nfs/dbraw/zinc/27/19/09/135271909.db2.gz LBRRMOYTHGUTSO-OFQRWUPVSA-N 2 2 248.414 2.805 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000342400881 135271910 /nfs/dbraw/zinc/27/19/10/135271910.db2.gz LBRRMOYTHGUTSO-OFQRWUPVSA-N 2 2 248.414 2.805 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000262284408 135290776 /nfs/dbraw/zinc/29/07/76/135290776.db2.gz ZNZGLSJLSMJNCU-WBMJQRKESA-N 2 2 240.350 2.852 20 0 BFADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)C1CCC1 ZINC000342941772 135337513 /nfs/dbraw/zinc/33/75/13/135337513.db2.gz XSGVDDLEDBEIRT-UHFFFAOYSA-N 2 2 229.327 2.709 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H]3CCC[C@H]3F)c[nH+]c12 ZINC000334397620 135389133 /nfs/dbraw/zinc/38/91/33/135389133.db2.gz CTEAAEOLNAWCGB-OLZOCXBDSA-N 2 2 247.317 2.623 20 0 BFADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079978913 135398343 /nfs/dbraw/zinc/39/83/43/135398343.db2.gz VMWCYTUEWQLTRO-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079978913 135398344 /nfs/dbraw/zinc/39/83/44/135398344.db2.gz VMWCYTUEWQLTRO-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP c1cn(CC[NH2+]CCCC2CCCCC2)c[nH+]1 ZINC000347935396 135481793 /nfs/dbraw/zinc/48/17/93/135481793.db2.gz GGQXUADCJYHCHW-UHFFFAOYSA-N 2 2 235.375 2.833 20 0 BFADLP CC1(C)C[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000344148650 135747100 /nfs/dbraw/zinc/74/71/00/135747100.db2.gz DLIUWKPFZHOTLQ-LBPRGKRZSA-N 2 2 247.367 2.822 20 0 BFADLP Cc1ccc(NCCCc2c[nH+]ccc2C)[nH+]c1 ZINC000347868855 136016743 /nfs/dbraw/zinc/01/67/43/136016743.db2.gz AIJQAFYRJTUWPT-UHFFFAOYSA-N 2 2 241.338 2.560 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@](C)(F)C1 ZINC000347914638 136018205 /nfs/dbraw/zinc/01/82/05/136018205.db2.gz HMGAAPUBQHOSFK-AWEZNQCLSA-N 2 2 236.334 2.757 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@](C)(F)C1 ZINC000347914638 136018206 /nfs/dbraw/zinc/01/82/06/136018206.db2.gz HMGAAPUBQHOSFK-AWEZNQCLSA-N 2 2 236.334 2.757 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000348097207 136035714 /nfs/dbraw/zinc/03/57/14/136035714.db2.gz UENWSGZXDDQXGQ-GUTXKFCHSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000348097207 136035715 /nfs/dbraw/zinc/03/57/15/136035715.db2.gz UENWSGZXDDQXGQ-GUTXKFCHSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H](C)c1ccon1 ZINC000348261473 136057872 /nfs/dbraw/zinc/05/78/72/136057872.db2.gz MRIYCKJJBQESBO-LBPRGKRZSA-N 2 2 245.326 2.661 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000348276709 136059258 /nfs/dbraw/zinc/05/92/58/136059258.db2.gz DXVYQJICCVQNSC-XQQFMLRXSA-N 2 2 247.386 2.612 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000348300058 136063376 /nfs/dbraw/zinc/06/33/76/136063376.db2.gz IETJQDGGLCJWHH-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000348300058 136063377 /nfs/dbraw/zinc/06/33/77/136063377.db2.gz IETJQDGGLCJWHH-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000348302127 136064669 /nfs/dbraw/zinc/06/46/69/136064669.db2.gz LUWCCZPJMSFBLE-RDBSUJKOSA-N 2 2 234.387 2.718 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C ZINC000348326221 136070297 /nfs/dbraw/zinc/07/02/97/136070297.db2.gz MCPCXCIGRAJPCH-CABCVRRESA-N 2 2 246.398 2.720 20 0 BFADLP Cc1ccc(C[C@@H]([NH2+]CC[NH+](C)C)C(C)C)cc1 ZINC000348436390 136078689 /nfs/dbraw/zinc/07/86/89/136078689.db2.gz XAKCVLDOYHPJJJ-MRXNPFEDSA-N 2 2 248.414 2.713 20 0 BFADLP Cc1ccc(C[C@H]([NH2+]CC[NH+](C)C)C(C)C)cc1 ZINC000348436389 136078764 /nfs/dbraw/zinc/07/87/64/136078764.db2.gz XAKCVLDOYHPJJJ-INIZCTEOSA-N 2 2 248.414 2.713 20 0 BFADLP CC[C@H]1CCC[C@H](C[NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000449556434 397955998 /nfs/dbraw/zinc/95/59/98/397955998.db2.gz MRBPUUXIBCMBKY-IHRRRGAJSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000449556395 397956101 /nfs/dbraw/zinc/95/61/01/397956101.db2.gz MCBOIMDHTFYXNA-GOEBONIOSA-N 2 2 248.414 2.938 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000449555869 397956252 /nfs/dbraw/zinc/95/62/52/397956252.db2.gz JVBXZVLOEQADJD-IMJJTQAJSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H]1CC(C)(C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000414524635 397960143 /nfs/dbraw/zinc/96/01/43/397960143.db2.gz KGJYCYRITDYICR-GFCCVEGCSA-N 2 2 243.354 2.955 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000355905375 397925863 /nfs/dbraw/zinc/92/58/63/397925863.db2.gz LGUKPAAQNPJSEQ-UKRRQHHQSA-N 2 2 248.370 2.969 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000355905375 397925865 /nfs/dbraw/zinc/92/58/65/397925865.db2.gz LGUKPAAQNPJSEQ-UKRRQHHQSA-N 2 2 248.370 2.969 20 0 BFADLP c1ccc2cc(C[NH2+]C[C@H]3CCC[NH2+]3)ccc2c1 ZINC000259004513 322881126 /nfs/dbraw/zinc/88/11/26/322881126.db2.gz XEBQWFKIDMPQJD-MRXNPFEDSA-N 2 2 240.350 2.681 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000086880746 487578690 /nfs/dbraw/zinc/57/86/90/487578690.db2.gz CKRSHTPEDQYLGH-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000086906694 487583291 /nfs/dbraw/zinc/58/32/91/487583291.db2.gz MDTHAEDDMRLEKM-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)=CCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000662283307 409610367 /nfs/dbraw/zinc/61/03/67/409610367.db2.gz HGXUIVXWYMVYOF-UHFFFAOYSA-N 2 2 222.376 2.546 20 0 BFADLP CC(C)=CCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000662283307 409610372 /nfs/dbraw/zinc/61/03/72/409610372.db2.gz HGXUIVXWYMVYOF-UHFFFAOYSA-N 2 2 222.376 2.546 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000651225507 410871000 /nfs/dbraw/zinc/87/10/00/410871000.db2.gz DYNKEIDCUBVZKP-GXTWGEPZSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000651225507 410871005 /nfs/dbraw/zinc/87/10/05/410871005.db2.gz DYNKEIDCUBVZKP-GXTWGEPZSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccsc1 ZINC000665297576 410819446 /nfs/dbraw/zinc/81/94/46/410819446.db2.gz IKIWYTWAGQLZKW-PWSUYJOCSA-N 2 2 226.389 2.787 20 0 BFADLP CC(C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020085551 167132674 /nfs/dbraw/zinc/13/26/74/167132674.db2.gz XYHWKODIWKNTIF-LBPRGKRZSA-N 2 2 229.327 2.931 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000651667601 411134347 /nfs/dbraw/zinc/13/43/47/411134347.db2.gz JMMATQWHECNCDB-OCCSQVGLSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000651750137 411140915 /nfs/dbraw/zinc/14/09/15/411140915.db2.gz XURFCKLKUPCOCB-KBPBESRZSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000651828463 411146452 /nfs/dbraw/zinc/14/64/52/411146452.db2.gz LCMKCEHLTQXICQ-OCCSQVGLSA-N 2 2 235.375 2.521 20 0 BFADLP C[C@H]1CCCCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000651828462 411146541 /nfs/dbraw/zinc/14/65/41/411146541.db2.gz LCMKCEHLTQXICQ-JSGCOSHPSA-N 2 2 235.375 2.521 20 0 BFADLP c1cn(C2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)c[nH+]1 ZINC000659997922 411161976 /nfs/dbraw/zinc/16/19/76/411161976.db2.gz FTBITXCTSNCEMJ-BTTYYORXSA-N 2 2 245.370 2.566 20 0 BFADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092928 411242277 /nfs/dbraw/zinc/24/22/77/411242277.db2.gz SIFQNPKUGDHERT-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092928 411242282 /nfs/dbraw/zinc/24/22/82/411242282.db2.gz SIFQNPKUGDHERT-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000658095189 411242934 /nfs/dbraw/zinc/24/29/34/411242934.db2.gz DWOJNBHKYXXULV-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000658095189 411242936 /nfs/dbraw/zinc/24/29/36/411242936.db2.gz DWOJNBHKYXXULV-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658096059 411243320 /nfs/dbraw/zinc/24/33/20/411243320.db2.gz NIYBJRKNWGSTKO-REWJHTLYSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658096059 411243322 /nfs/dbraw/zinc/24/33/22/411243322.db2.gz NIYBJRKNWGSTKO-REWJHTLYSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000658095188 411243737 /nfs/dbraw/zinc/24/37/37/411243737.db2.gz DWOJNBHKYXXULV-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000658095188 411243739 /nfs/dbraw/zinc/24/37/39/411243739.db2.gz DWOJNBHKYXXULV-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)[nH+]1 ZINC000656227714 411214291 /nfs/dbraw/zinc/21/42/91/411214291.db2.gz SUVCXLCIKRWTTK-UONOGXRCSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cccc(N[C@H]2CCC[N@H+]3CCCC[C@H]23)[nH+]1 ZINC000656227714 411214294 /nfs/dbraw/zinc/21/42/94/411214294.db2.gz SUVCXLCIKRWTTK-UONOGXRCSA-N 2 2 245.370 2.819 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658057710 411224368 /nfs/dbraw/zinc/22/43/68/411224368.db2.gz AVKPUZLAIKYKRH-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000658057710 411224370 /nfs/dbraw/zinc/22/43/70/411224370.db2.gz AVKPUZLAIKYKRH-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C1CCC1 ZINC000658057296 411224487 /nfs/dbraw/zinc/22/44/87/411224487.db2.gz OKXFQYLUWNABAI-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C1CCC1 ZINC000658057296 411224488 /nfs/dbraw/zinc/22/44/88/411224488.db2.gz OKXFQYLUWNABAI-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCC1 ZINC000656277430 411227658 /nfs/dbraw/zinc/22/76/58/411227658.db2.gz MZUBFZFFJWELRQ-NWANDNLSSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCC1 ZINC000656277430 411227664 /nfs/dbraw/zinc/22/76/64/411227664.db2.gz MZUBFZFFJWELRQ-NWANDNLSSA-N 2 2 236.403 2.782 20 0 BFADLP CCC(CC)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000656278760 411229127 /nfs/dbraw/zinc/22/91/27/411229127.db2.gz UJRLICDDVVDZDH-KBPBESRZSA-N 2 2 224.392 2.782 20 0 BFADLP CCC(CC)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000656278760 411229129 /nfs/dbraw/zinc/22/91/29/411229129.db2.gz UJRLICDDVVDZDH-KBPBESRZSA-N 2 2 224.392 2.782 20 0 BFADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@H](C)[NH+](C)C)CC2 ZINC000655717087 411275820 /nfs/dbraw/zinc/27/58/20/411275820.db2.gz UKNAMTYQPQJCDE-ZFWWWQNUSA-N 2 2 246.398 2.830 20 0 BFADLP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)CC2 ZINC000655717085 411276067 /nfs/dbraw/zinc/27/60/67/411276067.db2.gz UKNAMTYQPQJCDE-HIFRSBDPSA-N 2 2 246.398 2.830 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000186267320 411293287 /nfs/dbraw/zinc/29/32/87/411293287.db2.gz XPXSETMVVQGUGM-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000186267320 411293288 /nfs/dbraw/zinc/29/32/88/411293288.db2.gz XPXSETMVVQGUGM-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC000658220904 411300326 /nfs/dbraw/zinc/30/03/26/411300326.db2.gz JVMKTTMALLHIHK-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC000658220904 411300329 /nfs/dbraw/zinc/30/03/29/411300329.db2.gz JVMKTTMALLHIHK-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000656675640 411321347 /nfs/dbraw/zinc/32/13/47/411321347.db2.gz HOZQVECBOVIXHN-OCCSQVGLSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000656675640 411321349 /nfs/dbraw/zinc/32/13/49/411321349.db2.gz HOZQVECBOVIXHN-OCCSQVGLSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000658286320 411322536 /nfs/dbraw/zinc/32/25/36/411322536.db2.gz RFKLFPYIVUUCBJ-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000658286320 411322538 /nfs/dbraw/zinc/32/25/38/411322538.db2.gz RFKLFPYIVUUCBJ-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1C[C@@H](C)C(C)(C)C ZINC000304241586 411354817 /nfs/dbraw/zinc/35/48/17/411354817.db2.gz DINYBVPHWPXCIH-FRRDWIJNSA-N 2 2 226.408 2.870 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1C[C@@H](C)C(C)(C)C ZINC000304241586 411354819 /nfs/dbraw/zinc/35/48/19/411354819.db2.gz DINYBVPHWPXCIH-FRRDWIJNSA-N 2 2 226.408 2.870 20 0 BFADLP c1cc(C[NH2+][C@H]2CC[NH2+]C2)cc(C2CCCC2)c1 ZINC000656787092 411365563 /nfs/dbraw/zinc/36/55/63/411365563.db2.gz SXSSTNYNJBHNFI-INIZCTEOSA-N 2 2 244.382 2.796 20 0 BFADLP [NH3+]C1(C[NH2+]Cc2cscc2Cl)CCCC1 ZINC000656788628 411368295 /nfs/dbraw/zinc/36/82/95/411368295.db2.gz VPKSCKYEHCYUIR-UHFFFAOYSA-N 2 2 244.791 2.763 20 0 BFADLP [NH3+]C1(C[NH2+]Cc2sccc2Cl)CCCC1 ZINC000656789685 411370034 /nfs/dbraw/zinc/37/00/34/411370034.db2.gz VJNHXFOMEBLXLH-UHFFFAOYSA-N 2 2 244.791 2.763 20 0 BFADLP C[C@H](C[N@@H+]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000660583632 411338053 /nfs/dbraw/zinc/33/80/53/411338053.db2.gz LJNZNQMKLFEWGG-CYBMUJFWSA-N 2 2 247.386 2.915 20 0 BFADLP C[C@H](C[N@H+]1CCn2c[nH+]cc2C1)C1CCCCC1 ZINC000660583632 411338056 /nfs/dbraw/zinc/33/80/56/411338056.db2.gz LJNZNQMKLFEWGG-CYBMUJFWSA-N 2 2 247.386 2.915 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000358139540 168113016 /nfs/dbraw/zinc/11/30/16/168113016.db2.gz OAEYWFRPBLBQEY-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C)C2)CC1 ZINC000358139540 168113018 /nfs/dbraw/zinc/11/30/18/168113018.db2.gz OAEYWFRPBLBQEY-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000356300049 168128550 /nfs/dbraw/zinc/12/85/50/168128550.db2.gz RGZDXUJGTCNNJJ-DZGCQCFKSA-N 2 2 248.414 2.759 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000356300049 168128552 /nfs/dbraw/zinc/12/85/52/168128552.db2.gz RGZDXUJGTCNNJJ-DZGCQCFKSA-N 2 2 248.414 2.759 20 0 BFADLP CC1CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000080249437 168147370 /nfs/dbraw/zinc/14/73/70/168147370.db2.gz LIIYBJLTGCSKCT-UHFFFAOYSA-N 2 2 241.338 2.760 20 0 BFADLP CC1CCC([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000336728122 168164128 /nfs/dbraw/zinc/16/41/28/168164128.db2.gz CIMKBMRBHVPVQA-FKZOYECMSA-N 2 2 224.392 2.637 20 0 BFADLP CC1CCC([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000336728122 168164130 /nfs/dbraw/zinc/16/41/30/168164130.db2.gz CIMKBMRBHVPVQA-FKZOYECMSA-N 2 2 224.392 2.637 20 0 BFADLP CC1CC[NH+](CC[NH2+]CC2CCCCC2)CC1 ZINC000040771180 168180379 /nfs/dbraw/zinc/18/03/79/168180379.db2.gz KYPCANQLCRMSIC-UHFFFAOYSA-N 2 2 238.419 2.888 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@H]2CCC[C@@H](C)C2)CC1 ZINC000040771129 168181076 /nfs/dbraw/zinc/18/10/76/168181076.db2.gz KXJGYSCLLRPZFI-CABCVRRESA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1(C)CC1)[NH+]1CCC(C)CC1 ZINC000119051631 168185772 /nfs/dbraw/zinc/18/57/72/168185772.db2.gz NFUFWLCVXKXRGS-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[NH2+]C[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000052376821 168187647 /nfs/dbraw/zinc/18/76/47/168187647.db2.gz SUGXTWVNCJOFNA-CQSZACIVSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)(C)[NH2+]CC[N@H+](CC1CC1)CC1CCC1 ZINC000414757693 411442954 /nfs/dbraw/zinc/44/29/54/411442954.db2.gz BFTSEEFFBMSDQW-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)(C)[NH2+]CC[N@@H+](CC1CC1)CC1CCC1 ZINC000414757693 411442957 /nfs/dbraw/zinc/44/29/57/411442957.db2.gz BFTSEEFFBMSDQW-UHFFFAOYSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657329093 411467738 /nfs/dbraw/zinc/46/77/38/411467738.db2.gz JXCRXOAUVTUIAS-CHWSQXEVSA-N 2 2 247.386 2.745 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000659845362 411474579 /nfs/dbraw/zinc/47/45/79/411474579.db2.gz NMIUMJFHLGPBIY-HNNXBMFYSA-N 2 2 236.403 2.903 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000659845362 411474580 /nfs/dbraw/zinc/47/45/80/411474580.db2.gz NMIUMJFHLGPBIY-HNNXBMFYSA-N 2 2 236.403 2.903 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000659845364 411475252 /nfs/dbraw/zinc/47/52/52/411475252.db2.gz NMIUMJFHLGPBIY-OAHLLOKOSA-N 2 2 236.403 2.903 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000659845364 411475254 /nfs/dbraw/zinc/47/52/54/411475254.db2.gz NMIUMJFHLGPBIY-OAHLLOKOSA-N 2 2 236.403 2.903 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCCCC1 ZINC000657373996 411482264 /nfs/dbraw/zinc/48/22/64/411482264.db2.gz CODXMYXVPRDNQD-LBPRGKRZSA-N 2 2 247.386 2.888 20 0 BFADLP C([C@@H]1CCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCCC1 ZINC000659870974 411484462 /nfs/dbraw/zinc/48/44/62/411484462.db2.gz KGSPLBSZAIFZAM-FZKCQIBNSA-N 2 2 248.414 2.593 20 0 BFADLP C([C@@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCCC1 ZINC000659870974 411484464 /nfs/dbraw/zinc/48/44/64/411484464.db2.gz KGSPLBSZAIFZAM-FZKCQIBNSA-N 2 2 248.414 2.593 20 0 BFADLP CCC(CC)(CC)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657375974 411485882 /nfs/dbraw/zinc/48/58/82/411485882.db2.gz MWELPPJIXKBHRX-UHFFFAOYSA-N 2 2 235.375 2.888 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH2+]C(C)(C)C ZINC000415088927 411491053 /nfs/dbraw/zinc/49/10/53/411491053.db2.gz MQPCQHOHIDMLSE-IUODEOHRSA-N 2 2 246.398 2.898 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657394662 411493682 /nfs/dbraw/zinc/49/36/82/411493682.db2.gz MCKKUNFSUFCEQV-CYBMUJFWSA-N 2 2 247.386 2.888 20 0 BFADLP CC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCCC1 ZINC000657394829 411494329 /nfs/dbraw/zinc/49/43/29/411494329.db2.gz NSVOKCJJCJEROZ-UHFFFAOYSA-N 2 2 247.386 2.889 20 0 BFADLP C1=CCC(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000660433829 411501488 /nfs/dbraw/zinc/50/14/88/411501488.db2.gz BTHRRUPMTDRMOZ-OAHLLOKOSA-N 2 2 244.338 2.501 20 0 BFADLP C1=CCC(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)C1 ZINC000660433829 411501491 /nfs/dbraw/zinc/50/14/91/411501491.db2.gz BTHRRUPMTDRMOZ-OAHLLOKOSA-N 2 2 244.338 2.501 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccsc2)n1C ZINC000657461638 411517699 /nfs/dbraw/zinc/51/76/99/411517699.db2.gz JPTXLOGDAOUZHV-VIFPVBQESA-N 2 2 235.356 2.641 20 0 BFADLP CC1(C)CCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657475959 411524993 /nfs/dbraw/zinc/52/49/93/411524993.db2.gz JCVKCJFEIVJJAP-GFCCVEGCSA-N 2 2 247.386 2.745 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000328382962 170012775 /nfs/dbraw/zinc/01/27/75/170012775.db2.gz VTTNNIDNLSKYLP-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000328382962 170012777 /nfs/dbraw/zinc/01/27/77/170012777.db2.gz VTTNNIDNLSKYLP-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000328389856 170013237 /nfs/dbraw/zinc/01/32/37/170013237.db2.gz XPQZMHCJOPUYMH-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000328389856 170013239 /nfs/dbraw/zinc/01/32/39/170013239.db2.gz XPQZMHCJOPUYMH-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000336885505 170013729 /nfs/dbraw/zinc/01/37/29/170013729.db2.gz ARIPWBKDSPHGRO-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000336885505 170013730 /nfs/dbraw/zinc/01/37/30/170013730.db2.gz ARIPWBKDSPHGRO-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@@H]1CC[N@H+](CC2CC=CC2)C[C@H]1n1cc[nH+]c1 ZINC000660110410 411538508 /nfs/dbraw/zinc/53/85/08/411538508.db2.gz AXKZKTCVLQHGGV-UKRRQHHQSA-N 2 2 245.370 2.732 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2CC=CC2)C[C@H]1n1cc[nH+]c1 ZINC000660110410 411538509 /nfs/dbraw/zinc/53/85/09/411538509.db2.gz AXKZKTCVLQHGGV-UKRRQHHQSA-N 2 2 245.370 2.732 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000328328395 170021964 /nfs/dbraw/zinc/02/19/64/170021964.db2.gz GSZKEDKDZBSYHJ-JKSUJKDBSA-N 2 2 244.382 2.822 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000328328395 170021966 /nfs/dbraw/zinc/02/19/66/170021966.db2.gz GSZKEDKDZBSYHJ-JKSUJKDBSA-N 2 2 244.382 2.822 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000328509394 170022131 /nfs/dbraw/zinc/02/21/31/170022131.db2.gz MXJWOUKJRSBEAC-HOCLYGCPSA-N 2 2 246.398 2.692 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000328509394 170022132 /nfs/dbraw/zinc/02/21/32/170022132.db2.gz MXJWOUKJRSBEAC-HOCLYGCPSA-N 2 2 246.398 2.692 20 0 BFADLP C1=CC[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655858388 411540209 /nfs/dbraw/zinc/54/02/09/411540209.db2.gz ZDABXOMNVSWBTQ-XHSDSOJGSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655858388 411540210 /nfs/dbraw/zinc/54/02/10/411540210.db2.gz ZDABXOMNVSWBTQ-XHSDSOJGSA-N 2 2 248.414 2.949 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCc3occc32)[C@@H](C)C1 ZINC000360047173 170037406 /nfs/dbraw/zinc/03/74/06/170037406.db2.gz SZMWNNWSBQKQOB-YUTCNCBUSA-N 2 2 248.370 2.587 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCc3occc32)[C@@H](C)C1 ZINC000360047173 170037407 /nfs/dbraw/zinc/03/74/07/170037407.db2.gz SZMWNNWSBQKQOB-YUTCNCBUSA-N 2 2 248.370 2.587 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000657522830 411541548 /nfs/dbraw/zinc/54/15/48/411541548.db2.gz FFINQIPHHXVGKP-KGLIPLIRSA-N 2 2 236.403 2.805 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000657522830 411541550 /nfs/dbraw/zinc/54/15/50/411541550.db2.gz FFINQIPHHXVGKP-KGLIPLIRSA-N 2 2 236.403 2.805 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1cccs1 ZINC000657524502 411542074 /nfs/dbraw/zinc/54/20/74/411542074.db2.gz PYUUDPYSGSIDOY-LLVKDONJSA-N 2 2 238.400 2.711 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1cccs1 ZINC000657524502 411542076 /nfs/dbraw/zinc/54/20/76/411542076.db2.gz PYUUDPYSGSIDOY-LLVKDONJSA-N 2 2 238.400 2.711 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657525561 411542617 /nfs/dbraw/zinc/54/26/17/411542617.db2.gz SPZKYJUGVPSNSV-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657525561 411542618 /nfs/dbraw/zinc/54/26/18/411542618.db2.gz SPZKYJUGVPSNSV-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]CC1(C)CCC1 ZINC000657526111 411543354 /nfs/dbraw/zinc/54/33/54/411543354.db2.gz ABVGNSCDUUSDCO-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]CC1(C)CCC1 ZINC000657526111 411543357 /nfs/dbraw/zinc/54/33/57/411543357.db2.gz ABVGNSCDUUSDCO-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525560 411543370 /nfs/dbraw/zinc/54/33/70/411543370.db2.gz SPZKYJUGVPSNSV-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525560 411543371 /nfs/dbraw/zinc/54/33/71/411543371.db2.gz SPZKYJUGVPSNSV-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848901 411536597 /nfs/dbraw/zinc/53/65/97/411536597.db2.gz LGXFJQJCDCLUDU-IHRRRGAJSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@H](C)[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848901 411536600 /nfs/dbraw/zinc/53/66/00/411536600.db2.gz LGXFJQJCDCLUDU-IHRRRGAJSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849717 411538081 /nfs/dbraw/zinc/53/80/81/411538081.db2.gz PMVUSSWSFZBBNR-QPSCCSFWSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849717 411538083 /nfs/dbraw/zinc/53/80/83/411538083.db2.gz PMVUSSWSFZBBNR-QPSCCSFWSA-N 2 2 236.403 2.782 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000161308552 170115556 /nfs/dbraw/zinc/11/55/56/170115556.db2.gz QXMDBXDIIOTHPR-UHFFFAOYSA-N 2 2 247.169 2.693 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564263 411552209 /nfs/dbraw/zinc/55/22/09/411552209.db2.gz YASNIMZJRRDNNA-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564263 411552211 /nfs/dbraw/zinc/55/22/11/411552211.db2.gz YASNIMZJRRDNNA-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564262 411552588 /nfs/dbraw/zinc/55/25/88/411552588.db2.gz YASNIMZJRRDNNA-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564262 411552590 /nfs/dbraw/zinc/55/25/90/411552590.db2.gz YASNIMZJRRDNNA-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP CC[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000293801343 170150196 /nfs/dbraw/zinc/15/01/96/170150196.db2.gz RECSTWKESOQOMA-UKRRQHHQSA-N 2 2 232.371 2.649 20 0 BFADLP CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000293801343 170150197 /nfs/dbraw/zinc/15/01/97/170150197.db2.gz RECSTWKESOQOMA-UKRRQHHQSA-N 2 2 232.371 2.649 20 0 BFADLP Cc1cccn2c(C[NH2+][C@]34C[C@H]3CCC4)c[nH+]c12 ZINC000657551511 411547731 /nfs/dbraw/zinc/54/77/31/411547731.db2.gz OFRSEGUUOJJRFC-IUODEOHRSA-N 2 2 241.338 2.675 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@]34C[C@H]3CCC4)n2c1 ZINC000657554259 411549189 /nfs/dbraw/zinc/54/91/89/411549189.db2.gz YDNSIRPKAYOIEU-IUODEOHRSA-N 2 2 241.338 2.675 20 0 BFADLP C[N@H+](CCC1CCC1)C(C)(C)C[NH+]1CCCC1 ZINC000660825717 411645694 /nfs/dbraw/zinc/64/56/94/411645694.db2.gz KKYJKNYKBBYRIQ-UHFFFAOYSA-N 2 2 238.419 2.983 20 0 BFADLP C[N@@H+](CCC1CCC1)C(C)(C)C[NH+]1CCCC1 ZINC000660825717 411645697 /nfs/dbraw/zinc/64/56/97/411645697.db2.gz KKYJKNYKBBYRIQ-UHFFFAOYSA-N 2 2 238.419 2.983 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000657742936 411589513 /nfs/dbraw/zinc/58/95/13/411589513.db2.gz XEIVTGLFRDOWLS-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000657742936 411589515 /nfs/dbraw/zinc/58/95/15/411589515.db2.gz XEIVTGLFRDOWLS-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000657757560 411590209 /nfs/dbraw/zinc/59/02/09/411590209.db2.gz UNDOOQPYGVBIMI-OAHLLOKOSA-N 2 2 243.354 2.859 20 0 BFADLP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000657816993 411606110 /nfs/dbraw/zinc/60/61/10/411606110.db2.gz MNSJLMQOGWGNTI-RDBSUJKOSA-N 2 2 247.386 2.688 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657863439 411613176 /nfs/dbraw/zinc/61/31/76/411613176.db2.gz FSOMIEBXBQXHPP-JTQLQIEISA-N 2 2 236.350 2.596 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657863439 411613178 /nfs/dbraw/zinc/61/31/78/411613178.db2.gz FSOMIEBXBQXHPP-JTQLQIEISA-N 2 2 236.350 2.596 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[N@H+](C)C1CC1 ZINC000657871964 411613987 /nfs/dbraw/zinc/61/39/87/411613987.db2.gz LKBDZRZOHUJILW-NXEZZACHSA-N 2 2 248.361 2.739 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C(C)(C)C(F)F)[N@@H+](C)C1CC1 ZINC000657871964 411613989 /nfs/dbraw/zinc/61/39/89/411613989.db2.gz LKBDZRZOHUJILW-NXEZZACHSA-N 2 2 248.361 2.739 20 0 BFADLP c1[nH]c(C[N@@H+]2CCCC3(CCCC3)CC2)c[nH+]1 ZINC000661231821 411737832 /nfs/dbraw/zinc/73/78/32/411737832.db2.gz SYVNKYVFZSIUPF-UHFFFAOYSA-N 2 2 233.359 2.956 20 0 BFADLP c1[nH]c(C[N@H+]2CCCC3(CCCC3)CC2)c[nH+]1 ZINC000661231821 411737837 /nfs/dbraw/zinc/73/78/37/411737837.db2.gz SYVNKYVFZSIUPF-UHFFFAOYSA-N 2 2 233.359 2.956 20 0 BFADLP C[C@@H](CCNc1ccc2ccccc2[nH+]1)[NH+](C)C ZINC000664247742 411898373 /nfs/dbraw/zinc/89/83/73/411898373.db2.gz RXSNKQDUODEXIF-LBPRGKRZSA-N 2 2 243.354 2.987 20 0 BFADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000662242901 412037086 /nfs/dbraw/zinc/03/70/86/412037086.db2.gz FATOSKOMOPMARR-LBPRGKRZSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000662242901 412037090 /nfs/dbraw/zinc/03/70/90/412037090.db2.gz FATOSKOMOPMARR-LBPRGKRZSA-N 2 2 234.387 2.763 20 0 BFADLP C[N@H+](Cc1cccc(C(C)(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000662245267 412040961 /nfs/dbraw/zinc/04/09/61/412040961.db2.gz JQDJNHPMFWJWRH-OAHLLOKOSA-N 2 2 246.398 2.778 20 0 BFADLP C[N@@H+](Cc1cccc(C(C)(C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000662245267 412040965 /nfs/dbraw/zinc/04/09/65/412040965.db2.gz JQDJNHPMFWJWRH-OAHLLOKOSA-N 2 2 246.398 2.778 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[N@H+](C)CC ZINC000309723847 171032981 /nfs/dbraw/zinc/03/29/81/171032981.db2.gz XBVZZGUAUTYKCP-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC[N@@H+](C)CC ZINC000309723847 171032983 /nfs/dbraw/zinc/03/29/83/171032983.db2.gz XBVZZGUAUTYKCP-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000354209713 171126373 /nfs/dbraw/zinc/12/63/73/171126373.db2.gz UOQYYBFURUZEHE-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H](C)C[NH2+]CCCNc1cccc[nH+]1 ZINC000133580834 171284756 /nfs/dbraw/zinc/28/47/56/171284756.db2.gz DGOATZGJNSNSGY-LBPRGKRZSA-N 2 2 221.348 2.519 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000336673912 171286134 /nfs/dbraw/zinc/28/61/34/171286134.db2.gz BAZBQXWSSQDGFI-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000336673912 171286135 /nfs/dbraw/zinc/28/61/35/171286135.db2.gz BAZBQXWSSQDGFI-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](c1cccc(F)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293198 412081317 /nfs/dbraw/zinc/08/13/17/412081317.db2.gz QMLLGOAEXLTKDZ-SNVBAGLBSA-N 2 2 224.323 2.556 20 0 BFADLP C[C@H](c1cccc(F)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293198 412081319 /nfs/dbraw/zinc/08/13/19/412081319.db2.gz QMLLGOAEXLTKDZ-SNVBAGLBSA-N 2 2 224.323 2.556 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028717 171364345 /nfs/dbraw/zinc/36/43/45/171364345.db2.gz LZDWKALWICXCMU-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153271 171366443 /nfs/dbraw/zinc/36/64/43/171366443.db2.gz LBDBBBJMSPBARC-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000090847127 171388843 /nfs/dbraw/zinc/38/88/43/171388843.db2.gz SMZUCQVPTXPIOH-AAEUAGOBSA-N 2 2 220.360 2.957 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771666 171389031 /nfs/dbraw/zinc/38/90/31/171389031.db2.gz RTSPSISWWCUFSR-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153275 171390627 /nfs/dbraw/zinc/39/06/27/171390627.db2.gz LBDBBBJMSPBARC-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662305160 412091357 /nfs/dbraw/zinc/09/13/57/412091357.db2.gz ZWJAGZOMFVEHQT-WPBUFGDCSA-N 2 2 248.345 2.700 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662305160 412091359 /nfs/dbraw/zinc/09/13/59/412091359.db2.gz ZWJAGZOMFVEHQT-WPBUFGDCSA-N 2 2 248.345 2.700 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662305589 412091701 /nfs/dbraw/zinc/09/17/01/412091701.db2.gz KMBWLBXCLJKAFO-UHFFFAOYSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CC3CC2(C[NH3+])C3)c1 ZINC000662305589 412091704 /nfs/dbraw/zinc/09/17/04/412091704.db2.gz KMBWLBXCLJKAFO-UHFFFAOYSA-N 2 2 244.382 2.733 20 0 BFADLP CCCCC[C@@H]1CCCC[N@@H+]1C[C@H](C)[NH3+] ZINC000662318612 412097518 /nfs/dbraw/zinc/09/75/18/412097518.db2.gz CLFIYHFFBINSDG-QWHCGFSZSA-N 2 2 212.381 2.768 20 0 BFADLP CCCCC[C@@H]1CCCC[N@H+]1C[C@H](C)[NH3+] ZINC000662318612 412097521 /nfs/dbraw/zinc/09/75/21/412097521.db2.gz CLFIYHFFBINSDG-QWHCGFSZSA-N 2 2 212.381 2.768 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000665245479 412184197 /nfs/dbraw/zinc/18/41/97/412184197.db2.gz KFCAPIANTMKLJG-UKRRQHHQSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2sccc21 ZINC000665241352 412184237 /nfs/dbraw/zinc/18/42/37/412184237.db2.gz JOMLRIJCXSOZPY-JBLDHEPKSA-N 2 2 236.384 2.638 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000665243480 412186908 /nfs/dbraw/zinc/18/69/08/412186908.db2.gz HFHKDZOVMRVGRF-SLEUVZQESA-N 2 2 230.355 2.577 20 0 BFADLP Cc1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2c1 ZINC000665261444 412203569 /nfs/dbraw/zinc/20/35/69/412203569.db2.gz CPEBRZVFCNVGLG-UONOGXRCSA-N 2 2 244.338 2.711 20 0 BFADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1cccs1 ZINC000041050946 171524017 /nfs/dbraw/zinc/52/40/17/171524017.db2.gz AEMKFSXFIFUNAN-NSHDSACASA-N 2 2 235.356 2.686 20 0 BFADLP CCC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccccc1 ZINC000665294236 412238936 /nfs/dbraw/zinc/23/89/36/412238936.db2.gz KXMOUZOTURCJKU-JSGCOSHPSA-N 2 2 220.360 2.725 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000665293774 412239241 /nfs/dbraw/zinc/23/92/41/412239241.db2.gz CHIQNTZBZQZTMM-GHMZBOCLSA-N 2 2 238.400 2.667 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000665294745 412240647 /nfs/dbraw/zinc/24/06/47/412240647.db2.gz VNYKHDXFGTZPNX-OLZOCXBDSA-N 2 2 246.398 2.824 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000665295027 412240721 /nfs/dbraw/zinc/24/07/21/412240721.db2.gz ZSZSMVWBJLHAQM-JGVFFNPUSA-N 2 2 232.780 2.660 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000665295008 412241242 /nfs/dbraw/zinc/24/12/42/412241242.db2.gz ZNMALDRNIVPJQA-QWHCGFSZSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](c1ccc(C)cc1)C1CC1 ZINC000665296762 412243903 /nfs/dbraw/zinc/24/39/03/412243903.db2.gz XNIVKEDENSHBJQ-DOMZBBRYSA-N 2 2 232.371 2.644 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1C ZINC000665296933 412244514 /nfs/dbraw/zinc/24/45/14/412244514.db2.gz ZXEHHNBLQVIDJT-YPMHNXCESA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](c1ccc(C)cc1)C1CC1 ZINC000665296764 412244762 /nfs/dbraw/zinc/24/47/62/412244762.db2.gz XNIVKEDENSHBJQ-SWLSCSKDSA-N 2 2 232.371 2.644 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000665298435 412245652 /nfs/dbraw/zinc/24/56/52/412245652.db2.gz VZDFXIWAOOHCAU-IINYFYTJSA-N 2 2 236.359 2.627 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](c1ccc(C)o1)C1CCC1 ZINC000665298437 412245712 /nfs/dbraw/zinc/24/57/12/412245712.db2.gz VZDFXIWAOOHCAU-YGRLFVJLSA-N 2 2 236.359 2.627 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1cccc(C)c1 ZINC000665298249 412246209 /nfs/dbraw/zinc/24/62/09/412246209.db2.gz UQHMNPPSQPOLMV-OCCSQVGLSA-N 2 2 220.360 2.644 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH2+]C)c1cccc(C)c1 ZINC000665298307 412246757 /nfs/dbraw/zinc/24/67/57/412246757.db2.gz UQHMNPPSQPOLMV-TZMCWYRMSA-N 2 2 220.360 2.644 20 0 BFADLP CCc1[nH+]ccn1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000339116581 172027044 /nfs/dbraw/zinc/02/70/44/172027044.db2.gz RMFFEBLMDWDWLZ-CYBMUJFWSA-N 2 2 235.375 2.708 20 0 BFADLP CCc1[nH+]ccn1C[C@H]1CCCC[N@H+]1C(C)C ZINC000339116581 172027047 /nfs/dbraw/zinc/02/70/47/172027047.db2.gz RMFFEBLMDWDWLZ-CYBMUJFWSA-N 2 2 235.375 2.708 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000328165501 487624591 /nfs/dbraw/zinc/62/45/91/487624591.db2.gz ITHQBSIPHSQXJL-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000328165501 487624596 /nfs/dbraw/zinc/62/45/96/487624596.db2.gz ITHQBSIPHSQXJL-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000040672290 173020399 /nfs/dbraw/zinc/02/03/99/173020399.db2.gz DTDVFQRNVNRUMA-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000040672290 173020402 /nfs/dbraw/zinc/02/04/02/173020402.db2.gz DTDVFQRNVNRUMA-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C1CCC1)C1CCC1 ZINC000310497298 173030614 /nfs/dbraw/zinc/03/06/14/173030614.db2.gz KVWGBSOIKJQLJV-CQSZACIVSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C1CCC1)C1CCC1 ZINC000310497298 173030616 /nfs/dbraw/zinc/03/06/16/173030616.db2.gz KVWGBSOIKJQLJV-CQSZACIVSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000338003690 173032580 /nfs/dbraw/zinc/03/25/80/173032580.db2.gz TUGQYBDJESRPFA-MCIONIFRSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000338003690 173032581 /nfs/dbraw/zinc/03/25/81/173032581.db2.gz TUGQYBDJESRPFA-MCIONIFRSA-N 2 2 242.382 2.589 20 0 BFADLP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCC[NH2+]3)C1 ZINC000568248451 322930610 /nfs/dbraw/zinc/93/06/10/322930610.db2.gz RGWDDDAWKJINLA-CHWSQXEVSA-N 2 2 245.370 2.727 20 0 BFADLP C[NH2+]C1CC[NH+]([C@H](C)c2ccc(F)cc2)CC1 ZINC000049508874 173323624 /nfs/dbraw/zinc/32/36/24/173323624.db2.gz YZADNSRMGXLJCV-LLVKDONJSA-N 2 2 236.334 2.571 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000133019331 173381159 /nfs/dbraw/zinc/38/11/59/173381159.db2.gz SWZPYSCJOMSDRV-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000133019331 173381161 /nfs/dbraw/zinc/38/11/61/173381161.db2.gz SWZPYSCJOMSDRV-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]([NH2+]CC1CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020086318 175869480 /nfs/dbraw/zinc/86/94/80/175869480.db2.gz JFXNIKHAODGHDX-GFCCVEGCSA-N 2 2 241.338 2.933 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062010679 176014115 /nfs/dbraw/zinc/01/41/15/176014115.db2.gz AUXNOGSQMYAAKJ-ZJUUUORDSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062010679 176014117 /nfs/dbraw/zinc/01/41/17/176014117.db2.gz AUXNOGSQMYAAKJ-ZJUUUORDSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235332804 176017888 /nfs/dbraw/zinc/01/78/88/176017888.db2.gz LCFCWYJPOBRNJQ-NRUUGDAUSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235332804 176017890 /nfs/dbraw/zinc/01/78/90/176017890.db2.gz LCFCWYJPOBRNJQ-NRUUGDAUSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000300413210 176051206 /nfs/dbraw/zinc/05/12/06/176051206.db2.gz ZFLISJVTLMQLPK-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000300413210 176051207 /nfs/dbraw/zinc/05/12/07/176051207.db2.gz ZFLISJVTLMQLPK-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061983842 176078019 /nfs/dbraw/zinc/07/80/19/176078019.db2.gz BXBUBDGZWBXUKP-MGPQQGTHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061983842 176078020 /nfs/dbraw/zinc/07/80/20/176078020.db2.gz BXBUBDGZWBXUKP-MGPQQGTHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061983846 176085750 /nfs/dbraw/zinc/08/57/50/176085750.db2.gz BXBUBDGZWBXUKP-HZSPNIEDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061983846 176085753 /nfs/dbraw/zinc/08/57/53/176085753.db2.gz BXBUBDGZWBXUKP-HZSPNIEDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000183458254 176100846 /nfs/dbraw/zinc/10/08/46/176100846.db2.gz XDBAWVQMISGILU-GFCCVEGCSA-N 2 2 229.327 2.566 20 0 BFADLP C[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000183458254 176100849 /nfs/dbraw/zinc/10/08/49/176100849.db2.gz XDBAWVQMISGILU-GFCCVEGCSA-N 2 2 229.327 2.566 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CCCC1 ZINC000037482409 176115146 /nfs/dbraw/zinc/11/51/46/176115146.db2.gz NXNPRJZHVNRBRY-CHWSQXEVSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)[C@H](C)C1 ZINC000353594952 176234508 /nfs/dbraw/zinc/23/45/08/176234508.db2.gz IORGISIFUHAIKT-NDBYEHHHSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)[C@H](C)C1 ZINC000353594952 176234509 /nfs/dbraw/zinc/23/45/09/176234509.db2.gz IORGISIFUHAIKT-NDBYEHHHSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235402735 176304744 /nfs/dbraw/zinc/30/47/44/176304744.db2.gz VLUDTZGVMBXZGF-WBMJQRKESA-N 2 2 240.350 2.619 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@@H]1[NH3+] ZINC000235402735 176304745 /nfs/dbraw/zinc/30/47/45/176304745.db2.gz VLUDTZGVMBXZGF-WBMJQRKESA-N 2 2 240.350 2.619 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000289326393 176376164 /nfs/dbraw/zinc/37/61/64/176376164.db2.gz VFVJBJWKANTEAE-XJKCOSOUSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc21 ZINC000289326393 176376166 /nfs/dbraw/zinc/37/61/66/176376166.db2.gz VFVJBJWKANTEAE-XJKCOSOUSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3occc32)CC[N@@H+]1C ZINC000130034885 176379223 /nfs/dbraw/zinc/37/92/23/176379223.db2.gz VJLRLFRVVOTZHI-MBNYWOFBSA-N 2 2 248.370 2.729 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3occc32)CC[N@H+]1C ZINC000130034885 176379224 /nfs/dbraw/zinc/37/92/24/176379224.db2.gz VJLRLFRVVOTZHI-MBNYWOFBSA-N 2 2 248.370 2.729 20 0 BFADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccccc1Cl ZINC000049551673 176626005 /nfs/dbraw/zinc/62/60/05/176626005.db2.gz KDYMIYASWWRHEM-LLVKDONJSA-N 2 2 240.778 2.770 20 0 BFADLP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000226541928 177035093 /nfs/dbraw/zinc/03/50/93/177035093.db2.gz IBVMLHLPBBAQLT-MLGOLLRUSA-N 2 2 240.350 2.934 20 0 BFADLP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000226541928 177035095 /nfs/dbraw/zinc/03/50/95/177035095.db2.gz IBVMLHLPBBAQLT-MLGOLLRUSA-N 2 2 240.350 2.934 20 0 BFADLP C[C@H](c1ccccc1F)[N@H+](C)CC(C)(C)[NH3+] ZINC000062019035 177042010 /nfs/dbraw/zinc/04/20/10/177042010.db2.gz UXFJAUQICIAWGQ-SNVBAGLBSA-N 2 2 224.323 2.556 20 0 BFADLP C[C@H](c1ccccc1F)[N@@H+](C)CC(C)(C)[NH3+] ZINC000062019035 177042011 /nfs/dbraw/zinc/04/20/11/177042011.db2.gz UXFJAUQICIAWGQ-SNVBAGLBSA-N 2 2 224.323 2.556 20 0 BFADLP C[C@H](c1ccco1)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000162847004 177047535 /nfs/dbraw/zinc/04/75/35/177047535.db2.gz QTPQNDBLPAANDP-GFCCVEGCSA-N 2 2 245.326 2.702 20 0 BFADLP C[C@H](c1ccco1)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000162847004 177047537 /nfs/dbraw/zinc/04/75/37/177047537.db2.gz QTPQNDBLPAANDP-GFCCVEGCSA-N 2 2 245.326 2.702 20 0 BFADLP C[C@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000173982627 177110808 /nfs/dbraw/zinc/11/08/08/177110808.db2.gz VJHFSDBCMUTQSK-ZDUSSCGKSA-N 2 2 241.338 2.857 20 0 BFADLP C[C@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000173982627 177110809 /nfs/dbraw/zinc/11/08/09/177110809.db2.gz VJHFSDBCMUTQSK-ZDUSSCGKSA-N 2 2 241.338 2.857 20 0 BFADLP C[C@H]1CC[N@@H+](C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000120163161 177156638 /nfs/dbraw/zinc/15/66/38/177156638.db2.gz WNXGRLKMPIYGGJ-JSGCOSHPSA-N 2 2 233.359 2.709 20 0 BFADLP C[C@H]1CC[N@H+](C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000120163161 177156640 /nfs/dbraw/zinc/15/66/40/177156640.db2.gz WNXGRLKMPIYGGJ-JSGCOSHPSA-N 2 2 233.359 2.709 20 0 BFADLP C[C@H]1CC[N@H+](Cc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000091960188 177165421 /nfs/dbraw/zinc/16/54/21/177165421.db2.gz YBAFJDQYUXMOON-JSGCOSHPSA-N 2 2 245.326 2.559 20 0 BFADLP C[C@H]1CC[N@@H+](Cc2ccco2)C[C@@H]1n1cc[nH+]c1 ZINC000091960188 177165423 /nfs/dbraw/zinc/16/54/23/177165423.db2.gz YBAFJDQYUXMOON-JSGCOSHPSA-N 2 2 245.326 2.559 20 0 BFADLP C[C@H]1CC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000353125237 177195424 /nfs/dbraw/zinc/19/54/24/177195424.db2.gz ATXQBWVJRKGHFK-GWCFXTLKSA-N 2 2 247.367 2.822 20 0 BFADLP C[C@H]1CC[C@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180310483 177197760 /nfs/dbraw/zinc/19/77/60/177197760.db2.gz GLAWIGCDIUYETO-STQMWFEESA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1CC[C@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180310483 177197761 /nfs/dbraw/zinc/19/77/61/177197761.db2.gz GLAWIGCDIUYETO-STQMWFEESA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1CC[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000355595121 177202810 /nfs/dbraw/zinc/20/28/10/177202810.db2.gz FYYWIDXQLWAEGQ-STQMWFEESA-N 2 2 243.354 2.860 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000341289488 177236051 /nfs/dbraw/zinc/23/60/51/177236051.db2.gz HADODELAFQJEDX-ZFWWWQNUSA-N 2 2 246.398 2.504 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000341289488 177236053 /nfs/dbraw/zinc/23/60/53/177236053.db2.gz HADODELAFQJEDX-ZFWWWQNUSA-N 2 2 246.398 2.504 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000341289482 177237855 /nfs/dbraw/zinc/23/78/55/177237855.db2.gz HADODELAFQJEDX-DZGCQCFKSA-N 2 2 246.398 2.504 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000341289482 177237856 /nfs/dbraw/zinc/23/78/56/177237856.db2.gz HADODELAFQJEDX-DZGCQCFKSA-N 2 2 246.398 2.504 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362922879 177240713 /nfs/dbraw/zinc/24/07/13/177240713.db2.gz OXOSWUNKMIUOSN-WFASDCNBSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000362922879 177240717 /nfs/dbraw/zinc/24/07/17/177240717.db2.gz OXOSWUNKMIUOSN-WFASDCNBSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCC1 ZINC000307659463 177266095 /nfs/dbraw/zinc/26/60/95/177266095.db2.gz SUMUUANMLNMPNM-XJKSGUPXSA-N 2 2 244.382 2.649 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCC1 ZINC000307659463 177266096 /nfs/dbraw/zinc/26/60/96/177266096.db2.gz SUMUUANMLNMPNM-XJKSGUPXSA-N 2 2 244.382 2.649 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062619228 177266643 /nfs/dbraw/zinc/26/66/43/177266643.db2.gz MIVXJFWZDXDTNJ-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccccc2Cl)CCC[NH2+]1 ZINC000062619228 177266644 /nfs/dbraw/zinc/26/66/44/177266644.db2.gz MIVXJFWZDXDTNJ-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)C[N@@H+]1C1CC1 ZINC000334540948 177331164 /nfs/dbraw/zinc/33/11/64/177331164.db2.gz NYVWPASYUGZSSC-NWDGAFQWSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)C[N@H+]1C1CC1 ZINC000334540948 177331165 /nfs/dbraw/zinc/33/11/65/177331165.db2.gz NYVWPASYUGZSSC-NWDGAFQWSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCn2cc[nH+]c2)CC(C)(C)C1 ZINC000041063666 177332219 /nfs/dbraw/zinc/33/22/19/177332219.db2.gz WOWDUOXUDYGRIC-QWHCGFSZSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)C[N@@H+]1C1CC1 ZINC000128765097 177369137 /nfs/dbraw/zinc/36/91/37/177369137.db2.gz JFGFZDPMFGDFRC-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCC2CCCC2)C[N@H+]1C1CC1 ZINC000128765097 177369140 /nfs/dbraw/zinc/36/91/40/177369140.db2.gz JFGFZDPMFGDFRC-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000129231611 177370259 /nfs/dbraw/zinc/37/02/59/177370259.db2.gz IWTMIVVJWFOZCL-APIJFGDWSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@H](C[NH2+][C@H]1c2ccccc2CC[C@H]1C)[NH+](C)C ZINC000678769228 487638978 /nfs/dbraw/zinc/63/89/78/487638978.db2.gz PKOFBTODYTWGPQ-XJKCOSOUSA-N 2 2 246.398 2.850 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)C2CCC2)C1 ZINC000324721200 487641767 /nfs/dbraw/zinc/64/17/67/487641767.db2.gz YIBLKOCVXOCAKC-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)C2CCC2)C1 ZINC000324721200 487641776 /nfs/dbraw/zinc/64/17/76/487641776.db2.gz YIBLKOCVXOCAKC-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000400372560 226341925 /nfs/dbraw/zinc/34/19/25/226341925.db2.gz UKKZKEUABKEGTJ-ZWNOBZJWSA-N 2 2 238.762 2.570 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678823984 487656046 /nfs/dbraw/zinc/65/60/46/487656046.db2.gz STYZAAWZCUOGPB-ZIAGYGMSSA-N 2 2 235.375 2.956 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678823984 487656052 /nfs/dbraw/zinc/65/60/52/487656052.db2.gz STYZAAWZCUOGPB-ZIAGYGMSSA-N 2 2 235.375 2.956 20 0 BFADLP C[C@H]1CCCC[C@@]1(C)[NH2+]CCCn1cc[nH+]c1 ZINC000308714433 229244309 /nfs/dbraw/zinc/24/43/09/229244309.db2.gz SXWCAPSEVQCYTE-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@H](C[NH2+]C[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000162950448 487674134 /nfs/dbraw/zinc/67/41/34/487674134.db2.gz HTCMEOGOAAVRAG-OCCSQVGLSA-N 2 2 234.387 2.958 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000328448207 487687911 /nfs/dbraw/zinc/68/79/11/487687911.db2.gz CKLMCGYIHFUENK-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000328448207 487687914 /nfs/dbraw/zinc/68/79/14/487687914.db2.gz CKLMCGYIHFUENK-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000328442853 487688145 /nfs/dbraw/zinc/68/81/45/487688145.db2.gz BECRUEDFXBLNIU-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000328442853 487688148 /nfs/dbraw/zinc/68/81/48/487688148.db2.gz BECRUEDFXBLNIU-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC/C=C\CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681020603 487697653 /nfs/dbraw/zinc/69/76/53/487697653.db2.gz BPNQWKXINJZYCN-NQHOJNORSA-N 2 2 233.359 2.876 20 0 BFADLP CC/C=C\CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000681020603 487697660 /nfs/dbraw/zinc/69/76/60/487697660.db2.gz BPNQWKXINJZYCN-NQHOJNORSA-N 2 2 233.359 2.876 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000328533675 487707397 /nfs/dbraw/zinc/70/73/97/487707397.db2.gz ZECNHNZFPGMZFP-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000328533675 487707399 /nfs/dbraw/zinc/70/73/99/487707399.db2.gz ZECNHNZFPGMZFP-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668432505 487745252 /nfs/dbraw/zinc/74/52/52/487745252.db2.gz UOICGEJCDRDKPN-YIYPIFLZSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668432505 487745259 /nfs/dbraw/zinc/74/52/59/487745259.db2.gz UOICGEJCDRDKPN-YIYPIFLZSA-N 2 2 236.403 2.637 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667864543 487749623 /nfs/dbraw/zinc/74/96/23/487749623.db2.gz BTNZGZQVVZPQKX-QPSCCSFWSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667864543 487749626 /nfs/dbraw/zinc/74/96/26/487749626.db2.gz BTNZGZQVVZPQKX-QPSCCSFWSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675767956 487776263 /nfs/dbraw/zinc/77/62/63/487776263.db2.gz UZVNERTXVCNRMQ-CZUORRHYSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675767956 487776266 /nfs/dbraw/zinc/77/62/66/487776266.db2.gz UZVNERTXVCNRMQ-CZUORRHYSA-N 2 2 244.382 2.666 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000668459392 487783652 /nfs/dbraw/zinc/78/36/52/487783652.db2.gz UBALEOUOINVKSE-LBPRGKRZSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000668459392 487783654 /nfs/dbraw/zinc/78/36/54/487783654.db2.gz UBALEOUOINVKSE-LBPRGKRZSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675834204 487783939 /nfs/dbraw/zinc/78/39/39/487783939.db2.gz SHUXLBPQYQFMIZ-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675834204 487783944 /nfs/dbraw/zinc/78/39/44/487783944.db2.gz SHUXLBPQYQFMIZ-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000675834207 487784130 /nfs/dbraw/zinc/78/41/30/487784130.db2.gz SHUXLBPQYQFMIZ-RBSFLKMASA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000675834207 487784131 /nfs/dbraw/zinc/78/41/31/487784131.db2.gz SHUXLBPQYQFMIZ-RBSFLKMASA-N 2 2 236.403 2.639 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000681366405 487785574 /nfs/dbraw/zinc/78/55/74/487785574.db2.gz UWOVAOGQWRBJNW-KKUMJFAQSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000681366405 487785579 /nfs/dbraw/zinc/78/55/79/487785579.db2.gz UWOVAOGQWRBJNW-KKUMJFAQSA-N 2 2 236.403 2.663 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cs1 ZINC000313263707 487802949 /nfs/dbraw/zinc/80/29/49/487802949.db2.gz DWKJDQGNYXTOFQ-NSHDSACASA-N 2 2 249.383 2.683 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394756756 487808427 /nfs/dbraw/zinc/80/84/27/487808427.db2.gz YIUCNWKYVXTMNK-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000394756756 487808432 /nfs/dbraw/zinc/80/84/32/487808432.db2.gz YIUCNWKYVXTMNK-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cccc(N[C@@H](c2[nH+]ccn2C)C2CC2)[nH+]1 ZINC000681563128 487816620 /nfs/dbraw/zinc/81/66/20/487816620.db2.gz LEVHGCMNRVDXFH-CYBMUJFWSA-N 2 2 242.326 2.687 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@H]2C2CC2)n1C ZINC000584243236 487827900 /nfs/dbraw/zinc/82/79/00/487827900.db2.gz UONUECUOKIZRCY-HIFRSBDPSA-N 2 2 247.386 2.644 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000651814353 487834580 /nfs/dbraw/zinc/83/45/80/487834580.db2.gz QZWZAXNESHRPKD-KCPJHIHWSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000651814353 487834584 /nfs/dbraw/zinc/83/45/84/487834584.db2.gz QZWZAXNESHRPKD-KCPJHIHWSA-N 2 2 247.386 2.825 20 0 BFADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1cscc1Cl ZINC000666798838 487863742 /nfs/dbraw/zinc/86/37/42/487863742.db2.gz CZPHXITYMZBGMQ-SNVBAGLBSA-N 2 2 246.807 2.865 20 0 BFADLP FCCCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671240783 487872726 /nfs/dbraw/zinc/87/27/26/487872726.db2.gz UOTVTNMSMBUFAI-CYBMUJFWSA-N 2 2 239.338 2.660 20 0 BFADLP FCCCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000671240783 487872731 /nfs/dbraw/zinc/87/27/31/487872731.db2.gz UOTVTNMSMBUFAI-CYBMUJFWSA-N 2 2 239.338 2.660 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000666860481 487873478 /nfs/dbraw/zinc/87/34/78/487873478.db2.gz BZWGGDVXSSLKRP-WBMJQRKESA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000670266715 487874515 /nfs/dbraw/zinc/87/45/15/487874515.db2.gz VETCAJABZLYWLX-KBPBESRZSA-N 2 2 240.435 2.990 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000670266715 487874522 /nfs/dbraw/zinc/87/45/22/487874522.db2.gz VETCAJABZLYWLX-KBPBESRZSA-N 2 2 240.435 2.990 20 0 BFADLP Cc1cccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1C ZINC000666767174 487875300 /nfs/dbraw/zinc/87/53/00/487875300.db2.gz ZKXNGOGEGDPTIH-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCCC1(C)C ZINC000086842660 322962831 /nfs/dbraw/zinc/96/28/31/322962831.db2.gz YRNYKBFPBQSQCD-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cccc(C)c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666768518 487875807 /nfs/dbraw/zinc/87/58/07/487875807.db2.gz IGFYCEXFTDUBIZ-CQSZACIVSA-N 2 2 232.371 2.535 20 0 BFADLP CCCc1ccc(C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668538252 487903195 /nfs/dbraw/zinc/90/31/95/487903195.db2.gz XUTZYPFKSGTJJC-UHFFFAOYSA-N 2 2 246.398 2.633 20 0 BFADLP CCCc1ccc(C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000668538252 487903200 /nfs/dbraw/zinc/90/32/00/487903200.db2.gz XUTZYPFKSGTJJC-UHFFFAOYSA-N 2 2 246.398 2.633 20 0 BFADLP C/C(=C/c1ccccc1)C[N@H+](C)CC1C[NH+](C)C1 ZINC000668539677 487905056 /nfs/dbraw/zinc/90/50/56/487905056.db2.gz HXJZGSDNJMQRJT-ZROIWOOFSA-N 2 2 244.382 2.583 20 0 BFADLP C/C(=C/c1ccccc1)C[N@@H+](C)CC1C[NH+](C)C1 ZINC000668539677 487905061 /nfs/dbraw/zinc/90/50/61/487905061.db2.gz HXJZGSDNJMQRJT-ZROIWOOFSA-N 2 2 244.382 2.583 20 0 BFADLP CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947639 487911717 /nfs/dbraw/zinc/91/17/17/487911717.db2.gz DUWZPNDFPZHCNY-ZOBORPQBSA-N 2 2 242.382 2.635 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000666966054 487920083 /nfs/dbraw/zinc/92/00/83/487920083.db2.gz DLJZWWMNWOURKK-HNNXBMFYSA-N 2 2 244.382 2.794 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC000676900796 487943419 /nfs/dbraw/zinc/94/34/19/487943419.db2.gz NRTQDTOJZGHNKF-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]C[C@H]2CCCC(C)(C)C2)C1 ZINC000676900796 487943423 /nfs/dbraw/zinc/94/34/23/487943423.db2.gz NRTQDTOJZGHNKF-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+](CC[NH3+])[C@@H](C)c1cccc(Cl)c1 ZINC000113604263 487951191 /nfs/dbraw/zinc/95/11/91/487951191.db2.gz WXUYUXRXZKCMDX-JTQLQIEISA-N 2 2 226.751 2.682 20 0 BFADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1cccc(Cl)c1 ZINC000113604263 487951195 /nfs/dbraw/zinc/95/11/95/487951195.db2.gz WXUYUXRXZKCMDX-JTQLQIEISA-N 2 2 226.751 2.682 20 0 BFADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC1(C)C ZINC000564472536 322975866 /nfs/dbraw/zinc/97/58/66/322975866.db2.gz YGTKVYNYJJPRJI-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000560469818 322988016 /nfs/dbraw/zinc/98/80/16/322988016.db2.gz QWBGYVYVLQURDI-OAHLLOKOSA-N 2 2 236.403 2.951 20 0 BFADLP Cc1cccc(NCc2c[nH+]c3n2CCCC3)[nH+]1 ZINC000561351521 323000168 /nfs/dbraw/zinc/00/01/68/323000168.db2.gz LNUQDYURAMDBJA-UHFFFAOYSA-N 2 2 242.326 2.535 20 0 BFADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccsc1 ZINC000394442703 323001279 /nfs/dbraw/zinc/00/12/79/323001279.db2.gz SQZFEICNGKLVDL-ZDUSSCGKSA-N 2 2 238.400 2.885 20 0 BFADLP CC[N@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000248423686 323019527 /nfs/dbraw/zinc/01/95/27/323019527.db2.gz GMCNDHYALXIJLC-UONOGXRCSA-N 2 2 224.392 2.520 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000248423686 323019528 /nfs/dbraw/zinc/01/95/28/323019528.db2.gz GMCNDHYALXIJLC-UONOGXRCSA-N 2 2 224.392 2.520 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CCCC[NH2+]C2)c(C)s1 ZINC000562747853 323029612 /nfs/dbraw/zinc/02/96/12/323029612.db2.gz CFJAKSFAIXYYCA-ZDUSSCGKSA-N 2 2 238.400 2.597 20 0 BFADLP C1CC12CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000570107503 323050218 /nfs/dbraw/zinc/05/02/18/323050218.db2.gz MMSZMQNVNPQSHT-DZGCQCFKSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC12CCC[C@H]2[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000570107503 323050219 /nfs/dbraw/zinc/05/02/19/323050219.db2.gz MMSZMQNVNPQSHT-DZGCQCFKSA-N 2 2 248.414 2.926 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]43)n2c1 ZINC000570646493 323065937 /nfs/dbraw/zinc/06/59/37/323065937.db2.gz GNFMPCOLBCDRMI-AGGWBTHJSA-N 2 2 241.338 2.531 20 0 BFADLP CC(C)[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000570693923 323067465 /nfs/dbraw/zinc/06/74/65/323067465.db2.gz BNHWFAFYNPLLLM-HNNXBMFYSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000570693923 323067466 /nfs/dbraw/zinc/06/74/66/323067466.db2.gz BNHWFAFYNPLLLM-HNNXBMFYSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000570897370 323073602 /nfs/dbraw/zinc/07/36/02/323073602.db2.gz SFXFUTNKBPMNOM-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000570897370 323073603 /nfs/dbraw/zinc/07/36/03/323073603.db2.gz SFXFUTNKBPMNOM-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP C([NH2+][C@H]1CCCC12CC2)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000563442887 323126885 /nfs/dbraw/zinc/12/68/85/323126885.db2.gz BQAHRIVITYJEAW-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@H]1CCCC12CC2)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000563442887 323126886 /nfs/dbraw/zinc/12/68/86/323126886.db2.gz BQAHRIVITYJEAW-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CC3)C[N@@H+]1C1CC1 ZINC000571226290 323138847 /nfs/dbraw/zinc/13/88/47/323138847.db2.gz IQZRAZPFLSXJPV-YRGRVCCFSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC23CC3)C[N@H+]1C1CC1 ZINC000571226290 323138848 /nfs/dbraw/zinc/13/88/48/323138848.db2.gz IQZRAZPFLSXJPV-YRGRVCCFSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CC3)C[N@@H+]1C1CC1 ZINC000571226288 323138925 /nfs/dbraw/zinc/13/89/25/323138925.db2.gz IQZRAZPFLSXJPV-DYEKYZERSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC23CC3)C[N@H+]1C1CC1 ZINC000571226288 323138926 /nfs/dbraw/zinc/13/89/26/323138926.db2.gz IQZRAZPFLSXJPV-DYEKYZERSA-N 2 2 234.387 2.534 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000531960517 323158113 /nfs/dbraw/zinc/15/81/13/323158113.db2.gz WTKKKDPHTGNZOW-LJISPDSOSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000531960517 323158114 /nfs/dbraw/zinc/15/81/14/323158114.db2.gz WTKKKDPHTGNZOW-LJISPDSOSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](CC(C)(C)c1ccccc1)[NH2+]CC[NH+](C)C ZINC000037184071 323190965 /nfs/dbraw/zinc/19/09/65/323190965.db2.gz QWAJSNRUEFLNGN-CQSZACIVSA-N 2 2 248.414 2.894 20 0 BFADLP Cc1cccc([C@H](C)C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000532232080 323210523 /nfs/dbraw/zinc/21/05/23/323210523.db2.gz QPBRGARLOHUKFV-IIAWOOMASA-N 2 2 246.398 2.638 20 0 BFADLP Cc1cccc([C@H](C)C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000532232080 323210526 /nfs/dbraw/zinc/21/05/26/323210526.db2.gz QPBRGARLOHUKFV-IIAWOOMASA-N 2 2 246.398 2.638 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000532240320 323211132 /nfs/dbraw/zinc/21/11/32/323211132.db2.gz LDMHNOOUYPLGIO-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000532240320 323211133 /nfs/dbraw/zinc/21/11/33/323211133.db2.gz LDMHNOOUYPLGIO-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000530222892 323218389 /nfs/dbraw/zinc/21/83/89/323218389.db2.gz SADNEAOGVXGTKR-TZMCWYRMSA-N 2 2 230.355 2.622 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000532468202 323266907 /nfs/dbraw/zinc/26/69/07/323266907.db2.gz NLAGSAVDTTYJQG-UMVBOHGHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000532468202 323266910 /nfs/dbraw/zinc/26/69/10/323266910.db2.gz NLAGSAVDTTYJQG-UMVBOHGHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000532532164 323274009 /nfs/dbraw/zinc/27/40/09/323274009.db2.gz HCGGQPDZWOWCGJ-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000532532164 323274011 /nfs/dbraw/zinc/27/40/11/323274011.db2.gz HCGGQPDZWOWCGJ-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000122332645 324039210 /nfs/dbraw/zinc/03/92/10/324039210.db2.gz IVYBVCXFBLCBFZ-HIFRSBDPSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1ccccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000122332645 324039213 /nfs/dbraw/zinc/03/92/13/324039213.db2.gz IVYBVCXFBLCBFZ-HIFRSBDPSA-N 2 2 244.382 2.710 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000537296514 324062969 /nfs/dbraw/zinc/06/29/69/324062969.db2.gz UFCXNVCXFDOZFY-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000537296514 324062972 /nfs/dbraw/zinc/06/29/72/324062972.db2.gz UFCXNVCXFDOZFY-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529643230 324369553 /nfs/dbraw/zinc/36/95/53/324369553.db2.gz XRPMQCWJZIMSRZ-UMVBOHGHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529643230 324369558 /nfs/dbraw/zinc/36/95/58/324369558.db2.gz XRPMQCWJZIMSRZ-UMVBOHGHSA-N 2 2 236.403 2.639 20 0 BFADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000529669368 324374880 /nfs/dbraw/zinc/37/48/80/324374880.db2.gz LZNYMWXRZSIMSJ-DMRZNYOFSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@H]1CC[N@H+]1C1CCCC1 ZINC000529669368 324374883 /nfs/dbraw/zinc/37/48/83/324374883.db2.gz LZNYMWXRZSIMSJ-DMRZNYOFSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1ccc(F)cc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530176954 324508308 /nfs/dbraw/zinc/50/83/08/324508308.db2.gz FFYZXOXHTROKHM-AWEZNQCLSA-N 2 2 248.345 2.508 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC000544371342 325139809 /nfs/dbraw/zinc/13/98/09/325139809.db2.gz PBTYBFXAZNVBDA-ILXRZTDVSA-N 2 2 238.419 2.744 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CCCC[C@@H]2C)C1 ZINC000544371342 325139810 /nfs/dbraw/zinc/13/98/10/325139810.db2.gz PBTYBFXAZNVBDA-ILXRZTDVSA-N 2 2 238.419 2.744 20 0 BFADLP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000545161204 325180834 /nfs/dbraw/zinc/18/08/34/325180834.db2.gz OWWBZJGBAHLIRD-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC000545161204 325180836 /nfs/dbraw/zinc/18/08/36/325180836.db2.gz OWWBZJGBAHLIRD-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000134113917 325343812 /nfs/dbraw/zinc/34/38/12/325343812.db2.gz FHDUPPCFWLHIQE-AVGNSLFASA-N 2 2 224.392 2.780 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000134113917 325343814 /nfs/dbraw/zinc/34/38/14/325343814.db2.gz FHDUPPCFWLHIQE-AVGNSLFASA-N 2 2 224.392 2.780 20 0 BFADLP Cc1ccc(COc2cccc(C[NH3+])c2)c(C)[nH+]1 ZINC000564321071 325356420 /nfs/dbraw/zinc/35/64/20/325356420.db2.gz DVDPXRGWASYWPN-UHFFFAOYSA-N 2 2 242.322 2.736 20 0 BFADLP CC[C@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000565259656 325888625 /nfs/dbraw/zinc/88/86/25/325888625.db2.gz YNIFFUXGYBBLLH-JSGCOSHPSA-N 2 2 247.386 2.888 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566414916 326041831 /nfs/dbraw/zinc/04/18/31/326041831.db2.gz UDQJTLFTNTXJTD-OLZOCXBDSA-N 2 2 235.375 2.644 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566414916 326041832 /nfs/dbraw/zinc/04/18/32/326041832.db2.gz UDQJTLFTNTXJTD-OLZOCXBDSA-N 2 2 235.375 2.644 20 0 BFADLP C[NH2+]CC[N@H+](C)C[C@H](CC(C)C)c1ccccc1 ZINC000566973735 326098222 /nfs/dbraw/zinc/09/82/22/326098222.db2.gz OMNAHZMMILBBAA-INIZCTEOSA-N 2 2 248.414 2.968 20 0 BFADLP C[NH2+]CC[N@@H+](C)C[C@H](CC(C)C)c1ccccc1 ZINC000566973735 326098225 /nfs/dbraw/zinc/09/82/25/326098225.db2.gz OMNAHZMMILBBAA-INIZCTEOSA-N 2 2 248.414 2.968 20 0 BFADLP CCCC[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155696125 326207638 /nfs/dbraw/zinc/20/76/38/326207638.db2.gz WHQZZIZPTIQZFB-KBPBESRZSA-N 2 2 235.375 2.832 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000569309670 326399535 /nfs/dbraw/zinc/39/95/35/326399535.db2.gz QKJDGAHMZGGYIS-OBJOEFQTSA-N 2 2 238.419 2.883 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000569309670 326399536 /nfs/dbraw/zinc/39/95/36/326399536.db2.gz QKJDGAHMZGGYIS-OBJOEFQTSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165163551 326419667 /nfs/dbraw/zinc/41/96/67/326419667.db2.gz NQYAMVZHKZDJFI-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccsc1 ZINC000235510608 487975455 /nfs/dbraw/zinc/97/54/55/487975455.db2.gz OJQGQIUROKJYFD-CMPLNLGQSA-N 2 2 224.373 2.541 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000235510191 487975551 /nfs/dbraw/zinc/97/55/51/487975551.db2.gz HJBCVYBRBFWRBO-DZGCQCFKSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H](C)C1CCC1 ZINC000668616775 488010405 /nfs/dbraw/zinc/01/04/05/488010405.db2.gz QSEQJLYAXAYJOU-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)C(C)(C)C)n1C ZINC000667517658 488035899 /nfs/dbraw/zinc/03/58/99/488035899.db2.gz ALCZMNTWOSVEEM-SNVBAGLBSA-N 2 2 223.364 2.595 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)C(C)(C)C)n1C ZINC000667517658 488035903 /nfs/dbraw/zinc/03/59/03/488035903.db2.gz ALCZMNTWOSVEEM-SNVBAGLBSA-N 2 2 223.364 2.595 20 0 BFADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H]3CCC[C@H]31)CCC2 ZINC000667555994 488044996 /nfs/dbraw/zinc/04/49/96/488044996.db2.gz VLRJGKFDLCEJHZ-TZMCWYRMSA-N 2 2 245.370 2.594 20 0 BFADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H]3CCC[C@H]31)CCC2 ZINC000667555994 488045002 /nfs/dbraw/zinc/04/50/02/488045002.db2.gz VLRJGKFDLCEJHZ-TZMCWYRMSA-N 2 2 245.370 2.594 20 0 BFADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@H]3CCC[C@@H]31)CCC2 ZINC000667555993 488045287 /nfs/dbraw/zinc/04/52/87/488045287.db2.gz VLRJGKFDLCEJHZ-OCCSQVGLSA-N 2 2 245.370 2.594 20 0 BFADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@H]3CCC[C@@H]31)CCC2 ZINC000667555993 488045290 /nfs/dbraw/zinc/04/52/90/488045290.db2.gz VLRJGKFDLCEJHZ-OCCSQVGLSA-N 2 2 245.370 2.594 20 0 BFADLP CCC1(C)CC[NH+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667569858 488050602 /nfs/dbraw/zinc/05/06/02/488050602.db2.gz UTZGHJLTPALEEJ-UHFFFAOYSA-N 2 2 235.375 2.741 20 0 BFADLP CC(C)C[C@@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667621150 488061497 /nfs/dbraw/zinc/06/14/97/488061497.db2.gz ADUOTIWYGGHJPX-ZDUSSCGKSA-N 2 2 247.386 2.697 20 0 BFADLP CC(C)C[C@@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667621150 488061504 /nfs/dbraw/zinc/06/15/04/488061504.db2.gz ADUOTIWYGGHJPX-ZDUSSCGKSA-N 2 2 247.386 2.697 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667651687 488074545 /nfs/dbraw/zinc/07/45/45/488074545.db2.gz DURSKPXDDAYMHB-OLZOCXBDSA-N 2 2 247.386 2.840 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667651687 488074547 /nfs/dbraw/zinc/07/45/47/488074547.db2.gz DURSKPXDDAYMHB-OLZOCXBDSA-N 2 2 247.386 2.840 20 0 BFADLP CC[C@@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667655412 488076226 /nfs/dbraw/zinc/07/62/26/488076226.db2.gz FFXXZFOPBXCIQA-CYBMUJFWSA-N 2 2 235.375 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000389173490 488079170 /nfs/dbraw/zinc/07/91/70/488079170.db2.gz OLDVYYLVXYLZBE-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000389173490 488079177 /nfs/dbraw/zinc/07/91/77/488079177.db2.gz OLDVYYLVXYLZBE-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000389173492 488079527 /nfs/dbraw/zinc/07/95/27/488079527.db2.gz OLDVYYLVXYLZBE-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC000389173492 488079530 /nfs/dbraw/zinc/07/95/30/488079530.db2.gz OLDVYYLVXYLZBE-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000304231336 487481614 /nfs/dbraw/zinc/48/16/14/487481614.db2.gz AUQXZQKDQDDSFX-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000304231336 487481618 /nfs/dbraw/zinc/48/16/18/487481618.db2.gz AUQXZQKDQDDSFX-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000304231339 487482083 /nfs/dbraw/zinc/48/20/83/487482083.db2.gz AUQXZQKDQDDSFX-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@H](C)C(C)(C)C)C1 ZINC000304231339 487482089 /nfs/dbraw/zinc/48/20/89/487482089.db2.gz AUQXZQKDQDDSFX-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)[N@H+](C)C1CC1 ZINC000304302506 487486718 /nfs/dbraw/zinc/48/67/18/487486718.db2.gz PFIOEXCXBXWBPH-NEPJUHHUSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH2+]C[C@@H](C)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000304302506 487486722 /nfs/dbraw/zinc/48/67/22/487486722.db2.gz PFIOEXCXBXWBPH-NEPJUHHUSA-N 2 2 226.408 2.741 20 0 BFADLP CCn1c[nH+]cc1C[NH+]1CCC2(CCC2)CC1 ZINC000669567342 487497153 /nfs/dbraw/zinc/49/71/53/487497153.db2.gz YWJJHWPSDAAPNR-UHFFFAOYSA-N 2 2 233.359 2.669 20 0 BFADLP CC(C)Cc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094078086 487513344 /nfs/dbraw/zinc/51/33/44/487513344.db2.gz YBGPSLDLSCWUPV-XJKSGUPXSA-N 2 2 246.398 2.898 20 0 BFADLP C([C@@H]1C[C@H]2C[C@H]2C1)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000662273882 490044818 /nfs/dbraw/zinc/04/48/18/490044818.db2.gz AWFYIOKSVZDPGM-XFIYOXNOSA-N 2 2 248.414 2.639 20 0 BFADLP C([C@@H]1C[C@H]2C[C@H]2C1)[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000662273882 490044822 /nfs/dbraw/zinc/04/48/22/490044822.db2.gz AWFYIOKSVZDPGM-XFIYOXNOSA-N 2 2 248.414 2.639 20 0 BFADLP CSc1ccc(C[N@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258941220 488143231 /nfs/dbraw/zinc/14/32/31/488143231.db2.gz WCVCXSLXIHOJTQ-UHFFFAOYSA-N 2 2 238.400 2.578 20 0 BFADLP CSc1ccc(C[N@@H+](C)CC(C)(C)[NH3+])cc1 ZINC000258941220 488143241 /nfs/dbraw/zinc/14/32/41/488143241.db2.gz WCVCXSLXIHOJTQ-UHFFFAOYSA-N 2 2 238.400 2.578 20 0 BFADLP c1ccc(NCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000667934225 488162006 /nfs/dbraw/zinc/16/20/06/488162006.db2.gz CUPREFHLPPOQLH-HZSPNIEDSA-N 2 2 245.370 2.662 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)C3(CCC3)C2)n1C ZINC000667952906 488167175 /nfs/dbraw/zinc/16/71/75/488167175.db2.gz KURIJFGVDGBSPZ-LBPRGKRZSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)C3(CCC3)C2)n1C ZINC000667952906 488167180 /nfs/dbraw/zinc/16/71/80/488167180.db2.gz KURIJFGVDGBSPZ-LBPRGKRZSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)n1C ZINC000667964703 488169714 /nfs/dbraw/zinc/16/97/14/488169714.db2.gz ODTVWIPHVXFEHA-SWLSCSKDSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@]3(CC[C@H](C)C3)C2)n1C ZINC000667964703 488169717 /nfs/dbraw/zinc/16/97/17/488169717.db2.gz ODTVWIPHVXFEHA-SWLSCSKDSA-N 2 2 247.386 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000389349765 488210628 /nfs/dbraw/zinc/21/06/28/488210628.db2.gz KYBYXBRVZTYBEL-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)c2C)C1 ZINC000389349765 488210632 /nfs/dbraw/zinc/21/06/32/488210632.db2.gz KYBYXBRVZTYBEL-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@@H]2C(C)C)n1C ZINC000668190771 488218414 /nfs/dbraw/zinc/21/84/14/488218414.db2.gz NETFXJFVMAFOOQ-ZDUSSCGKSA-N 2 2 235.375 2.595 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@@H]2C(C)C)n1C ZINC000668190771 488218419 /nfs/dbraw/zinc/21/84/19/488218419.db2.gz NETFXJFVMAFOOQ-ZDUSSCGKSA-N 2 2 235.375 2.595 20 0 BFADLP CC(C)[C@H]1[N@H+](Cc2c[nH+]c3n2CCC3)CC1(C)C ZINC000668190403 488218497 /nfs/dbraw/zinc/21/84/97/488218497.db2.gz CHLBBTLKCKSPIM-CQSZACIVSA-N 2 2 247.386 2.696 20 0 BFADLP CC(C)[C@H]1[N@@H+](Cc2c[nH+]c3n2CCC3)CC1(C)C ZINC000668190403 488218500 /nfs/dbraw/zinc/21/85/00/488218500.db2.gz CHLBBTLKCKSPIM-CQSZACIVSA-N 2 2 247.386 2.696 20 0 BFADLP CCC(CC)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235623 488222674 /nfs/dbraw/zinc/22/26/74/488222674.db2.gz LWLNHQBIVPVQPN-CQSZACIVSA-N 2 2 235.375 2.956 20 0 BFADLP CCC(CC)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678235623 488222679 /nfs/dbraw/zinc/22/26/79/488222679.db2.gz LWLNHQBIVPVQPN-CQSZACIVSA-N 2 2 235.375 2.956 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000678234626 488223564 /nfs/dbraw/zinc/22/35/64/488223564.db2.gz HKDBMRIKLOEUIX-CYBMUJFWSA-N 2 2 245.326 2.622 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)o1 ZINC000678234626 488223567 /nfs/dbraw/zinc/22/35/67/488223567.db2.gz HKDBMRIKLOEUIX-CYBMUJFWSA-N 2 2 245.326 2.622 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000684676938 488338408 /nfs/dbraw/zinc/33/84/08/488338408.db2.gz KPZCSQMUWUXCTL-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000684676938 488338410 /nfs/dbraw/zinc/33/84/10/488338410.db2.gz KPZCSQMUWUXCTL-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000304443911 490361304 /nfs/dbraw/zinc/36/13/04/490361304.db2.gz VWYPRYFDRXSGTG-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000304443911 490361309 /nfs/dbraw/zinc/36/13/09/490361309.db2.gz VWYPRYFDRXSGTG-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cc[nH+]c(N[C@H](c2[nH+]ccn2C)C2CC2)c1 ZINC000128125258 490573158 /nfs/dbraw/zinc/57/31/58/490573158.db2.gz MHXSRWQREYGIRW-ZDUSSCGKSA-N 2 2 242.326 2.687 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000086889586 491065091 /nfs/dbraw/zinc/06/50/91/491065091.db2.gz DKUGIEDRGLBLCM-HZSPNIEDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086889586 491065093 /nfs/dbraw/zinc/06/50/93/491065093.db2.gz DKUGIEDRGLBLCM-HZSPNIEDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C(C)(C)C)cc1 ZINC000094077233 491074809 /nfs/dbraw/zinc/07/48/09/491074809.db2.gz VPLHLVUWWNHYTM-DOMZBBRYSA-N 2 2 246.398 2.997 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000088512800 491104103 /nfs/dbraw/zinc/10/41/03/491104103.db2.gz MYUHQQLCWNYVLX-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)(C)C ZINC000223632026 491137831 /nfs/dbraw/zinc/13/78/31/491137831.db2.gz UKFFRXVHWSQEBB-XQQFMLRXSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)(C)C ZINC000223632026 491137832 /nfs/dbraw/zinc/13/78/32/491137832.db2.gz UKFFRXVHWSQEBB-XQQFMLRXSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+]Cc1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000400372554 533916527 /nfs/dbraw/zinc/91/65/27/533916527.db2.gz UKKZKEUABKEGTJ-GXFFZTMASA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)[C@@H]1C ZINC000495078139 533946776 /nfs/dbraw/zinc/94/67/76/533946776.db2.gz HYTNFPKGGARKFC-QMIVOQANSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)[C@@H]1C ZINC000495078139 533946783 /nfs/dbraw/zinc/94/67/83/533946783.db2.gz HYTNFPKGGARKFC-QMIVOQANSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1C ZINC000495041940 533962531 /nfs/dbraw/zinc/96/25/31/533962531.db2.gz GEOOQDULCHPELQ-BHPKHCPMSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1C ZINC000495041940 533962541 /nfs/dbraw/zinc/96/25/41/533962541.db2.gz GEOOQDULCHPELQ-BHPKHCPMSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000494916682 534086551 /nfs/dbraw/zinc/08/65/51/534086551.db2.gz JKNIIIKFBLMOKI-FQKPHLNHSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000494916682 534086555 /nfs/dbraw/zinc/08/65/55/534086555.db2.gz JKNIIIKFBLMOKI-FQKPHLNHSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000494892544 534122715 /nfs/dbraw/zinc/12/27/15/534122715.db2.gz TYFFMKHKVYINBD-ARILJUKYSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000494892544 534122728 /nfs/dbraw/zinc/12/27/28/534122728.db2.gz TYFFMKHKVYINBD-ARILJUKYSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000494879898 534123339 /nfs/dbraw/zinc/12/33/39/534123339.db2.gz RBGBZDWKLRGIGE-APIJFGDWSA-N 2 2 238.419 2.741 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H](C)[C@@H]2CC2(C)C)CC1 ZINC000487560557 528118362 /nfs/dbraw/zinc/11/83/62/528118362.db2.gz OUWZURQMNMBRHG-KGLIPLIRSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)[C@@H]2CC2(C)C)CC1 ZINC000487560557 528118370 /nfs/dbraw/zinc/11/83/70/528118370.db2.gz OUWZURQMNMBRHG-KGLIPLIRSA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000300516676 528689267 /nfs/dbraw/zinc/68/92/67/528689267.db2.gz PWLMRPRIEVVEGX-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000300516676 528689274 /nfs/dbraw/zinc/68/92/74/528689274.db2.gz PWLMRPRIEVVEGX-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@H]1C ZINC000480334549 529283198 /nfs/dbraw/zinc/28/31/98/529283198.db2.gz KDGDNBXVTXRBEF-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000480334549 529283199 /nfs/dbraw/zinc/28/31/99/529283199.db2.gz KDGDNBXVTXRBEF-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000494449023 529316313 /nfs/dbraw/zinc/31/63/13/529316313.db2.gz AWJYUZVCPSKIKE-RDBSUJKOSA-N 2 2 247.386 2.756 20 0 BFADLP CCCCC[N@H+](CCc1c[nH+]cn1C)C(C)C ZINC000347733504 535044216 /nfs/dbraw/zinc/04/42/16/535044216.db2.gz DJDYRCHPTAPRLS-UHFFFAOYSA-N 2 2 237.391 2.863 20 0 BFADLP CCCCC[N@@H+](CCc1c[nH+]cn1C)C(C)C ZINC000347733504 535044223 /nfs/dbraw/zinc/04/42/23/535044223.db2.gz DJDYRCHPTAPRLS-UHFFFAOYSA-N 2 2 237.391 2.863 20 0 BFADLP CC1(C2CC2)CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000352201072 535108406 /nfs/dbraw/zinc/10/84/06/535108406.db2.gz OXRZWSWKRVIGEU-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC(C)(C)[NH+](C)C ZINC000342395862 535242072 /nfs/dbraw/zinc/24/20/72/535242072.db2.gz FJASDIYOTACBBA-KBPBESRZSA-N 2 2 238.419 2.909 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000251287760 535609671 /nfs/dbraw/zinc/60/96/71/535609671.db2.gz HCZKACZFGKYCJT-XQQFMLRXSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000251287760 535609676 /nfs/dbraw/zinc/60/96/76/535609676.db2.gz HCZKACZFGKYCJT-XQQFMLRXSA-N 2 2 212.381 2.624 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000348091995 535824818 /nfs/dbraw/zinc/82/48/18/535824818.db2.gz ZSEWRZFMYDLZNE-HZPDHXFCSA-N 2 2 246.398 2.897 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000348091995 535824819 /nfs/dbraw/zinc/82/48/19/535824819.db2.gz ZSEWRZFMYDLZNE-HZPDHXFCSA-N 2 2 246.398 2.897 20 0 BFADLP CC[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000252643735 536175058 /nfs/dbraw/zinc/17/50/58/536175058.db2.gz GFYNRSURRBQGDM-IJEWVQPXSA-N 2 2 246.398 2.895 20 0 BFADLP CC[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000252643735 536175063 /nfs/dbraw/zinc/17/50/63/536175063.db2.gz GFYNRSURRBQGDM-IJEWVQPXSA-N 2 2 246.398 2.895 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C[C@H](C)C(C)(C)C ZINC000381538153 582900546 /nfs/dbraw/zinc/90/05/46/582900546.db2.gz GPDDFAUHXGHIFI-ZDUSSCGKSA-N 2 2 228.424 2.990 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C[C@H](C)C(C)(C)C ZINC000381538153 582900542 /nfs/dbraw/zinc/90/05/42/582900542.db2.gz GPDDFAUHXGHIFI-ZDUSSCGKSA-N 2 2 228.424 2.990 20 0 BFADLP C[C@H]1CC[C@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000783231819 582950928 /nfs/dbraw/zinc/95/09/28/582950928.db2.gz BAKDUFQKSBEOII-QWHCGFSZSA-N 2 2 233.359 2.662 20 0 BFADLP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]2C)[NH+](C)C)cc1 ZINC000783230451 582950940 /nfs/dbraw/zinc/95/09/40/582950940.db2.gz LGRSNQSTPGRFCJ-IMJJTQAJSA-N 2 2 246.398 2.986 20 0 BFADLP Cc1cc(C)[nH+]c(NCc2[nH+]ccn2C2CC2)c1 ZINC000893202033 583069888 /nfs/dbraw/zinc/06/98/88/583069888.db2.gz BYOHJZPAVURFDS-UHFFFAOYSA-N 2 2 242.326 2.842 20 0 BFADLP CCCSC[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000893884130 583241244 /nfs/dbraw/zinc/24/12/44/583241244.db2.gz APGQFRAOPSRTJG-LBPRGKRZSA-N 2 2 244.448 2.592 20 0 BFADLP c1[nH]c(C[NH2+]Cc2cc3c(s2)CCCC3)c[nH+]1 ZINC000894206059 583347865 /nfs/dbraw/zinc/34/78/65/583347865.db2.gz DRLLYHYGUQWGMO-UHFFFAOYSA-N 2 2 247.367 2.640 20 0 BFADLP CSCc1cccc(C[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894535472 583480049 /nfs/dbraw/zinc/48/00/49/583480049.db2.gz UELASUFMJQUGRI-UHFFFAOYSA-N 2 2 247.367 2.563 20 0 BFADLP CCSc1cccc(C[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894844153 583530468 /nfs/dbraw/zinc/53/04/68/583530468.db2.gz MZLDXPNNSPYAOS-UHFFFAOYSA-N 2 2 247.367 2.812 20 0 BFADLP CC[C@H](CCc1ccccc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895391195 583663840 /nfs/dbraw/zinc/66/38/40/583663840.db2.gz USOVPMIFTYBVCB-CQSZACIVSA-N 2 2 243.354 2.911 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+](C)CCCF ZINC000895895640 583743365 /nfs/dbraw/zinc/74/33/65/583743365.db2.gz BKWLSMJBRGFSNO-UHFFFAOYSA-N 2 2 224.323 2.614 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CCCF ZINC000895895640 583743366 /nfs/dbraw/zinc/74/33/66/583743366.db2.gz BKWLSMJBRGFSNO-UHFFFAOYSA-N 2 2 224.323 2.614 20 0 BFADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]2C)cc1C ZINC000896552821 583810809 /nfs/dbraw/zinc/81/08/09/583810809.db2.gz JNPPJGVJNDGBIA-GOEBONIOSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]2C)cc1C ZINC000896552821 583810810 /nfs/dbraw/zinc/81/08/10/583810810.db2.gz JNPPJGVJNDGBIA-GOEBONIOSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC000896552823 583810884 /nfs/dbraw/zinc/81/08/84/583810884.db2.gz JNPPJGVJNDGBIA-ZBFHGGJFSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)cc1C ZINC000896552823 583810885 /nfs/dbraw/zinc/81/08/85/583810885.db2.gz JNPPJGVJNDGBIA-ZBFHGGJFSA-N 2 2 246.398 2.528 20 0 BFADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000858361872 588948877 /nfs/dbraw/zinc/94/88/77/588948877.db2.gz FZIMELRTOHJBJB-HOTGVXAUSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@@H](CCc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000858361872 588948878 /nfs/dbraw/zinc/94/88/78/588948878.db2.gz FZIMELRTOHJBJB-HOTGVXAUSA-N 2 2 246.398 2.692 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)[nH+]1 ZINC000897955782 584064931 /nfs/dbraw/zinc/06/49/31/584064931.db2.gz YLTBZRPARNAFNI-FPMFFAJLSA-N 2 2 241.338 2.613 20 0 BFADLP Cc1ccc([C@H]([NH2+]CC2([NH3+])CC2)C2CCC2)o1 ZINC000902403663 584588243 /nfs/dbraw/zinc/58/82/43/584588243.db2.gz ALIVWDYCGLHSQD-CYBMUJFWSA-N 2 2 234.343 2.510 20 0 BFADLP Cc1ccc2cc([C@H](C)[NH2+]CC3([NH3+])CC3)oc2c1 ZINC000902405490 584588934 /nfs/dbraw/zinc/58/89/34/584588934.db2.gz IDWUDQJYTUEEBF-NSHDSACASA-N 2 2 244.338 2.883 20 0 BFADLP Cc1c2ccccc2oc1[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902417523 584591215 /nfs/dbraw/zinc/59/12/15/584591215.db2.gz RZJQRXAUESAIBD-NSHDSACASA-N 2 2 244.338 2.883 20 0 BFADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])c1ccco1 ZINC000902442027 584597443 /nfs/dbraw/zinc/59/74/43/584597443.db2.gz HADFXDBGAFSRJX-PSOPSSQASA-N 2 2 242.322 2.555 20 0 BFADLP CC1(C)C[NH2+]C[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000902444297 584598138 /nfs/dbraw/zinc/59/81/38/584598138.db2.gz GQIXUGYVEHKXKM-LSDHHAIUSA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C(C)C ZINC000902443859 584598499 /nfs/dbraw/zinc/59/84/99/584598499.db2.gz MJDRLIZCIKIIJG-RRFJBIMHSA-N 2 2 232.371 2.635 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1 ZINC000902473207 584601149 /nfs/dbraw/zinc/60/11/49/584601149.db2.gz UPAYLPVIMYFMRE-APIJFGDWSA-N 2 2 248.345 2.759 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472691 584601266 /nfs/dbraw/zinc/60/12/66/584601266.db2.gz FMDIRHLGAMPKHS-WHOHXGKFSA-N 2 2 236.384 2.600 20 0 BFADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472666 584601310 /nfs/dbraw/zinc/60/13/10/584601310.db2.gz DYKUJPJCOXHGIJ-DMRZNYOFSA-N 2 2 242.366 2.547 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448055 584604633 /nfs/dbraw/zinc/60/46/33/584604633.db2.gz XLDLYJOVGKKJTH-JSGCOSHPSA-N 2 2 232.371 2.644 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902463968 584612439 /nfs/dbraw/zinc/61/24/39/584612439.db2.gz BXCODZNVKFOXSP-QSDOXLQRSA-N 2 2 242.366 2.717 20 0 BFADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464240 584612992 /nfs/dbraw/zinc/61/29/92/584612992.db2.gz BAZYYTNCQONVJS-MMMKDXCPSA-N 2 2 248.345 2.678 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902464349 584613031 /nfs/dbraw/zinc/61/30/31/584613031.db2.gz BXCODZNVKFOXSP-DCIASYOESA-N 2 2 242.366 2.717 20 0 BFADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902465259 584613048 /nfs/dbraw/zinc/61/30/48/584613048.db2.gz DYKUJPJCOXHGIJ-OEAJRASXSA-N 2 2 242.366 2.547 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cs1 ZINC000902464413 584613312 /nfs/dbraw/zinc/61/33/12/584613312.db2.gz CFJCLBXVTTXMKR-FOUMNBMASA-N 2 2 236.384 2.600 20 0 BFADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902464243 584613414 /nfs/dbraw/zinc/61/34/14/584613414.db2.gz BAZYYTNCQONVJS-WAZAZEMKSA-N 2 2 248.345 2.678 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(F)c1 ZINC000902465171 584613514 /nfs/dbraw/zinc/61/35/14/584613514.db2.gz FQYNWUJNJKJMRE-BYNSBNAKSA-N 2 2 248.345 2.759 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465894 584614207 /nfs/dbraw/zinc/61/42/07/584614207.db2.gz GVKYHLZGAIJXTI-AYRXBEOTSA-N 2 2 230.355 2.539 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1 ZINC000902468502 584615872 /nfs/dbraw/zinc/61/58/72/584615872.db2.gz UPAYLPVIMYFMRE-BYNSBNAKSA-N 2 2 248.345 2.759 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(C)c1 ZINC000902469830 584616537 /nfs/dbraw/zinc/61/65/37/584616537.db2.gz RLZKPLQMRKAYBW-CAOSSQGBSA-N 2 2 244.382 2.929 20 0 BFADLP c1ccc([C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CC2)cc1 ZINC000902471031 584616856 /nfs/dbraw/zinc/61/68/56/584616856.db2.gz JVBDIGJPHQPXHJ-JJXSEGSLSA-N 2 2 242.366 2.620 20 0 BFADLP Cc1cncc([C@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)c1 ZINC000902483048 584624260 /nfs/dbraw/zinc/62/42/60/584624260.db2.gz OSCUETUIWHPNIS-ZFWWWQNUSA-N 2 2 247.386 2.573 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902836751 584679253 /nfs/dbraw/zinc/67/92/53/584679253.db2.gz MJXRAAVHKJSRKL-SSZWKKLZSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902836751 584679255 /nfs/dbraw/zinc/67/92/55/584679255.db2.gz MJXRAAVHKJSRKL-SSZWKKLZSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]1C ZINC000903055336 584721737 /nfs/dbraw/zinc/72/17/37/584721737.db2.gz CBUVJUZAUGNNHX-BARDWOONSA-N 2 2 249.402 2.934 20 0 BFADLP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903198844 584735115 /nfs/dbraw/zinc/73/51/15/584735115.db2.gz PYJKDHOUUARORD-CABCVRRESA-N 2 2 247.386 2.672 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)CC[N@@H+]1C ZINC000903299685 584743741 /nfs/dbraw/zinc/74/37/41/584743741.db2.gz CUFYMSFHMQGGQZ-RQJABVFESA-N 2 2 242.382 2.587 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H]2CCCF)CC[N@H+]1C ZINC000903299685 584743742 /nfs/dbraw/zinc/74/37/42/584743742.db2.gz CUFYMSFHMQGGQZ-RQJABVFESA-N 2 2 242.382 2.587 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903301324 584745065 /nfs/dbraw/zinc/74/50/65/584745065.db2.gz OTGVCJYTAMSRSO-WQVCFCJDSA-N 2 2 244.382 2.665 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301324 584745066 /nfs/dbraw/zinc/74/50/66/584745066.db2.gz OTGVCJYTAMSRSO-WQVCFCJDSA-N 2 2 244.382 2.665 20 0 BFADLP Cc1cccc([N@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1C ZINC000903432430 584762004 /nfs/dbraw/zinc/76/20/04/584762004.db2.gz BNLWASVQVIZEGL-KGLIPLIRSA-N 2 2 232.371 2.867 20 0 BFADLP Cc1cccc([N@@H+](C)C[C@@H]2CC[C@H]([NH3+])C2)c1C ZINC000903432430 584762005 /nfs/dbraw/zinc/76/20/05/584762005.db2.gz BNLWASVQVIZEGL-KGLIPLIRSA-N 2 2 232.371 2.867 20 0 BFADLP Fc1cccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903431880 584762073 /nfs/dbraw/zinc/76/20/73/584762073.db2.gz ZUMKOZHUVUBWKV-CABCVRRESA-N 2 2 248.345 2.715 20 0 BFADLP Fc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903431880 584762074 /nfs/dbraw/zinc/76/20/74/584762074.db2.gz ZUMKOZHUVUBWKV-CABCVRRESA-N 2 2 248.345 2.715 20 0 BFADLP Fc1cccc(C2([NH2+]C[C@H]3CCC[NH2+]3)CCC2)c1 ZINC000903460821 584766472 /nfs/dbraw/zinc/76/64/72/584766472.db2.gz JHECPYBMUFGWTO-CQSZACIVSA-N 2 2 248.345 2.547 20 0 BFADLP CCc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000903472987 584776398 /nfs/dbraw/zinc/77/63/98/584776398.db2.gz YKYGGHLGFQWEDE-HNNXBMFYSA-N 2 2 244.382 2.623 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2Cc1cccc(F)c1 ZINC000903795652 584800888 /nfs/dbraw/zinc/80/08/88/584800888.db2.gz OETXOXYBMXQANH-DZGCQCFKSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2Cc1cccc(F)c1 ZINC000903795652 584800889 /nfs/dbraw/zinc/80/08/89/584800889.db2.gz OETXOXYBMXQANH-DZGCQCFKSA-N 2 2 248.345 2.529 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903800838 584801772 /nfs/dbraw/zinc/80/17/72/584801772.db2.gz JABJGWCQYCBXQF-UONOGXRCSA-N 2 2 222.376 2.546 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903800838 584801773 /nfs/dbraw/zinc/80/17/73/584801773.db2.gz JABJGWCQYCBXQF-UONOGXRCSA-N 2 2 222.376 2.546 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000903803004 584802321 /nfs/dbraw/zinc/80/23/21/584802321.db2.gz VNPVJBQEKMIXSA-DGADGQDISA-N 2 2 248.414 2.626 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000903803004 584802322 /nfs/dbraw/zinc/80/23/22/584802322.db2.gz VNPVJBQEKMIXSA-DGADGQDISA-N 2 2 248.414 2.626 20 0 BFADLP CC(C)CC1CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903898901 584820287 /nfs/dbraw/zinc/82/02/87/584820287.db2.gz PDTNNUKDBVFRBZ-LBPRGKRZSA-N 2 2 248.361 2.727 20 0 BFADLP Cc1cc(N[C@H](C)C[C@@H]2CCC[NH2+]2)c[nH+]c1C ZINC000903947709 584829443 /nfs/dbraw/zinc/82/94/43/584829443.db2.gz FVACEJDUKIGLLV-YPMHNXCESA-N 2 2 233.359 2.641 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949737 584830262 /nfs/dbraw/zinc/83/02/62/584830262.db2.gz DLXXMSWGZMVWMD-VXGBXAGGSA-N 2 2 233.359 2.580 20 0 BFADLP Cc1cc(C)cc(C[NH2+]Cc2cc(N)cc[nH+]2)c1 ZINC000903949667 584830386 /nfs/dbraw/zinc/83/03/86/584830386.db2.gz CYOBJSOVLWHUPC-UHFFFAOYSA-N 2 2 241.338 2.570 20 0 BFADLP Cc1ccc(C)c(C[NH2+]Cc2cc(N)cc[nH+]2)c1 ZINC000903950839 584830614 /nfs/dbraw/zinc/83/06/14/584830614.db2.gz RRYIIVPCFORKMK-UHFFFAOYSA-N 2 2 241.338 2.570 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950232 584830631 /nfs/dbraw/zinc/83/06/31/584830631.db2.gz KOCPYDMKXWDSCU-AAEUAGOBSA-N 2 2 233.359 2.722 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(N)cc[nH+]2)[C@@H](C)C1 ZINC000903949889 584830709 /nfs/dbraw/zinc/83/07/09/584830709.db2.gz GVYODWAOWDARCL-SUNKGSAMSA-N 2 2 233.359 2.578 20 0 BFADLP CC1(C)CCC[C@@H](C[NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950457 584830814 /nfs/dbraw/zinc/83/08/14/584830814.db2.gz OFNWQMSJDWQNIW-GFCCVEGCSA-N 2 2 247.386 2.970 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950659 584830919 /nfs/dbraw/zinc/83/09/19/584830919.db2.gz PSMXVTRDFULZEP-YPMHNXCESA-N 2 2 235.375 2.968 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950657 584831032 /nfs/dbraw/zinc/83/10/32/584831032.db2.gz PSMXVTRDFULZEP-DGCLKSJQSA-N 2 2 235.375 2.968 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903954061 584831209 /nfs/dbraw/zinc/83/12/09/584831209.db2.gz PFJWAGSFJJWCMA-UONOGXRCSA-N 2 2 233.359 2.578 20 0 BFADLP CC1(C)C[N@H+](C/C=C/c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000903987068 584835967 /nfs/dbraw/zinc/83/59/67/584835967.db2.gz XKOVRZGLOTXSCF-XGACYXMMSA-N 2 2 248.345 2.508 20 0 BFADLP CC1(C)C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000903987068 584835968 /nfs/dbraw/zinc/83/59/68/584835968.db2.gz XKOVRZGLOTXSCF-XGACYXMMSA-N 2 2 248.345 2.508 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C\Cl)C[C@H]1C ZINC000749114203 585199585 /nfs/dbraw/zinc/19/95/85/585199585.db2.gz ARQXHAHWIXHMNY-OXTPZFROSA-N 2 2 230.783 2.544 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C\Cl)C[C@H]1C ZINC000749114203 585199586 /nfs/dbraw/zinc/19/95/86/585199586.db2.gz ARQXHAHWIXHMNY-OXTPZFROSA-N 2 2 230.783 2.544 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C\Cl)C[C@H]1C ZINC000749114203 585199587 /nfs/dbraw/zinc/19/95/87/585199587.db2.gz ARQXHAHWIXHMNY-OXTPZFROSA-N 2 2 230.783 2.544 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C\Cl)C[C@H]1C ZINC000749114203 585199588 /nfs/dbraw/zinc/19/95/88/585199588.db2.gz ARQXHAHWIXHMNY-OXTPZFROSA-N 2 2 230.783 2.544 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C/Cl)C[C@H]1C ZINC000749114113 585199735 /nfs/dbraw/zinc/19/97/35/585199735.db2.gz ARQXHAHWIXHMNY-BAEOLTKYSA-N 2 2 230.783 2.544 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C/Cl)C[C@H]1C ZINC000749114113 585199736 /nfs/dbraw/zinc/19/97/36/585199736.db2.gz ARQXHAHWIXHMNY-BAEOLTKYSA-N 2 2 230.783 2.544 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C/Cl)C[C@H]1C ZINC000749114113 585199737 /nfs/dbraw/zinc/19/97/37/585199737.db2.gz ARQXHAHWIXHMNY-BAEOLTKYSA-N 2 2 230.783 2.544 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C/Cl)C[C@H]1C ZINC000749114113 585199738 /nfs/dbraw/zinc/19/97/38/585199738.db2.gz ARQXHAHWIXHMNY-BAEOLTKYSA-N 2 2 230.783 2.544 20 0 BFADLP c1ccc(C2([NH2+]CC[NH+]3CCCC3)CCC2)cc1 ZINC000760853371 585400091 /nfs/dbraw/zinc/40/00/91/585400091.db2.gz JAVPBPAZTCAKHF-UHFFFAOYSA-N 2 2 244.382 2.751 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000764618921 585469194 /nfs/dbraw/zinc/46/91/94/585469194.db2.gz SJRQIDGEXZELHM-GJZGRUSLSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000768606302 585540831 /nfs/dbraw/zinc/54/08/31/585540831.db2.gz SUVMPPPVBIUEBU-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000768606302 585540832 /nfs/dbraw/zinc/54/08/32/585540832.db2.gz SUVMPPPVBIUEBU-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000768606300 585540981 /nfs/dbraw/zinc/54/09/81/585540981.db2.gz SUVMPPPVBIUEBU-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000768606300 585540982 /nfs/dbraw/zinc/54/09/82/585540982.db2.gz SUVMPPPVBIUEBU-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CC(C(F)F)C1 ZINC000768691864 585541789 /nfs/dbraw/zinc/54/17/89/585541789.db2.gz ZIKUWHQYWIRLIU-MCIGGMRASA-N 2 2 248.361 2.596 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccoc2)C[C@H]1C ZINC000769469945 585557756 /nfs/dbraw/zinc/55/77/56/585557756.db2.gz ICXUMMYNSTVUCW-OCCSQVGLSA-N 2 2 236.359 2.584 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccoc2)C[C@H]1C ZINC000769469945 585557757 /nfs/dbraw/zinc/55/77/57/585557757.db2.gz ICXUMMYNSTVUCW-OCCSQVGLSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccoc2)C[C@H]1C ZINC000769469945 585557758 /nfs/dbraw/zinc/55/77/58/585557758.db2.gz ICXUMMYNSTVUCW-OCCSQVGLSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccoc2)C[C@H]1C ZINC000769469945 585557759 /nfs/dbraw/zinc/55/77/59/585557759.db2.gz ICXUMMYNSTVUCW-OCCSQVGLSA-N 2 2 236.359 2.584 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)C3(C)CC3)n2c1 ZINC000771953068 585605641 /nfs/dbraw/zinc/60/56/41/585605641.db2.gz IAZNEOJGDJXNRZ-LBPRGKRZSA-N 2 2 243.354 2.921 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000775047857 585670838 /nfs/dbraw/zinc/67/08/38/585670838.db2.gz DYLPAMAZLJWTMG-LSDHHAIUSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC000775047857 585670839 /nfs/dbraw/zinc/67/08/39/585670839.db2.gz DYLPAMAZLJWTMG-LSDHHAIUSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000776173790 585691667 /nfs/dbraw/zinc/69/16/67/585691667.db2.gz MNKOGCILBKYBHE-GDBMZVCRSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000776173790 585691668 /nfs/dbraw/zinc/69/16/68/585691668.db2.gz MNKOGCILBKYBHE-GDBMZVCRSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000783215540 585830858 /nfs/dbraw/zinc/83/08/58/585830858.db2.gz OOWIQQHQBYZRHG-FVQBIDKESA-N 2 2 246.398 2.547 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000783215539 585830862 /nfs/dbraw/zinc/83/08/62/585830862.db2.gz OOWIQQHQBYZRHG-BMFZPTHFSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000783227031 585831466 /nfs/dbraw/zinc/83/14/66/585831466.db2.gz SMMBCCFLOKOLCL-NEPJUHHUSA-N 2 2 243.354 2.884 20 0 BFADLP CC(C)C(C[NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)C ZINC000790548318 585965980 /nfs/dbraw/zinc/96/59/80/585965980.db2.gz OSHMRIHHZHFBKB-CQSZACIVSA-N 2 2 240.435 2.989 20 0 BFADLP CC(C)C(C[NH2+]CC[N@H+]1CCC[C@H]1C)C(C)C ZINC000790548318 585965981 /nfs/dbraw/zinc/96/59/81/585965981.db2.gz OSHMRIHHZHFBKB-CQSZACIVSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@@H]2CCC2(C)C)C1 ZINC000793522291 586021576 /nfs/dbraw/zinc/02/15/76/586021576.db2.gz FKUMFCIRJFGWGU-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@@H](C)C[NH+](CC[NH2+][C@H]2CCC2(C)C)C1 ZINC000793522289 586021700 /nfs/dbraw/zinc/02/17/00/586021700.db2.gz FKUMFCIRJFGWGU-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)[NH+]1CCCCC1 ZINC000806132781 586404773 /nfs/dbraw/zinc/40/47/73/586404773.db2.gz ZZHUJCKCRFIDGM-VHDGCEQUSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC1(C)C ZINC000809577850 586507555 /nfs/dbraw/zinc/50/75/55/586507555.db2.gz BSEQCKZAISANJU-UHFFFAOYSA-N 2 2 218.344 2.807 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC1(C)C ZINC000809577850 586507557 /nfs/dbraw/zinc/50/75/57/586507557.db2.gz BSEQCKZAISANJU-UHFFFAOYSA-N 2 2 218.344 2.807 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000815575783 586687525 /nfs/dbraw/zinc/68/75/25/586687525.db2.gz AIAVVJVDFGGGOK-LRDDRELGSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000815575783 586687527 /nfs/dbraw/zinc/68/75/27/586687527.db2.gz AIAVVJVDFGGGOK-LRDDRELGSA-N 2 2 244.382 2.919 20 0 BFADLP CC1=CC[C@@H]([NH2+]C[C@H](C)[NH+]2CCCCC2)CC1 ZINC000816537197 586739216 /nfs/dbraw/zinc/73/92/16/586739216.db2.gz WONPNWUQTCYCNW-LSDHHAIUSA-N 2 2 236.403 2.949 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@@H](C)[C@H]1C ZINC000816646683 586748853 /nfs/dbraw/zinc/74/88/53/586748853.db2.gz HOCICMDHELZUMY-CHWSQXEVSA-N 2 2 218.344 2.663 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@@H](C)[C@H]1C ZINC000816646683 586748856 /nfs/dbraw/zinc/74/88/56/586748856.db2.gz HOCICMDHELZUMY-CHWSQXEVSA-N 2 2 218.344 2.663 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000816649081 586751289 /nfs/dbraw/zinc/75/12/89/586751289.db2.gz SXNLPMJKLJIMIX-MNOVXSKESA-N 2 2 247.367 2.774 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cc(-n3cc[nH+]c3)cs2)[C@H]1C ZINC000816649081 586751291 /nfs/dbraw/zinc/75/12/91/586751291.db2.gz SXNLPMJKLJIMIX-MNOVXSKESA-N 2 2 247.367 2.774 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000817894802 586834423 /nfs/dbraw/zinc/83/44/23/586834423.db2.gz OUEKPLYVXCJTEH-QJPTWQEYSA-N 2 2 238.400 2.848 20 0 BFADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000817940777 586845108 /nfs/dbraw/zinc/84/51/08/586845108.db2.gz KPBRBNFGCQPNMP-YPMHNXCESA-N 2 2 236.334 2.537 20 0 BFADLP c1[nH+]c2n(c1C[N@H+]1CCC3(CCCC3)C1)CCC2 ZINC000824782060 587287277 /nfs/dbraw/zinc/28/72/77/587287277.db2.gz DDGIPPPTUUZGGU-UHFFFAOYSA-N 2 2 245.370 2.595 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000828515906 587447151 /nfs/dbraw/zinc/44/71/51/587447151.db2.gz LQQUSIQNDYDXIW-RYUDHWBXSA-N 2 2 232.371 2.957 20 0 BFADLP Cc1[nH+]ccn1CC[NH+]1CCCCCCCC1 ZINC000831937051 587637797 /nfs/dbraw/zinc/63/77/97/587637797.db2.gz KROQRSJCKFUKPR-UHFFFAOYSA-N 2 2 235.375 2.848 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000834607503 587760563 /nfs/dbraw/zinc/76/05/63/587760563.db2.gz XWZNSQLNFQQRRG-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000834607503 587760564 /nfs/dbraw/zinc/76/05/64/587760564.db2.gz XWZNSQLNFQQRRG-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841055113 587940739 /nfs/dbraw/zinc/94/07/39/587940739.db2.gz QKPKJIWVBDQFDA-LBPRGKRZSA-N 2 2 236.359 2.872 20 0 BFADLP C[C@H](C[NH2+]C1CCCCCC1)[N@H+](C)C1CC1 ZINC000105489130 588183445 /nfs/dbraw/zinc/18/34/45/588183445.db2.gz RBNGWGNWRBGXSS-GFCCVEGCSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H](C[NH2+]C1CCCCCC1)[N@@H+](C)C1CC1 ZINC000105489130 588183447 /nfs/dbraw/zinc/18/34/47/588183447.db2.gz RBNGWGNWRBGXSS-GFCCVEGCSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H](C[NH2+]C1CCCCCC1)[N@H+](C)C1CC1 ZINC000105489127 588183708 /nfs/dbraw/zinc/18/37/08/588183708.db2.gz RBNGWGNWRBGXSS-LBPRGKRZSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H](C[NH2+]C1CCCCCC1)[N@@H+](C)C1CC1 ZINC000105489127 588183711 /nfs/dbraw/zinc/18/37/11/588183711.db2.gz RBNGWGNWRBGXSS-LBPRGKRZSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)c1ccccc1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000848529834 588393177 /nfs/dbraw/zinc/39/31/77/588393177.db2.gz RLCNLVXCYZDOKB-OAHLLOKOSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccccc1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000848529834 588393179 /nfs/dbraw/zinc/39/31/79/588393179.db2.gz RLCNLVXCYZDOKB-OAHLLOKOSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000848532096 588393882 /nfs/dbraw/zinc/39/38/82/588393882.db2.gz YPIOWGOHLPDQDR-HNNXBMFYSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000848532096 588393883 /nfs/dbraw/zinc/39/38/83/588393883.db2.gz YPIOWGOHLPDQDR-HNNXBMFYSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000850481978 588551715 /nfs/dbraw/zinc/55/17/15/588551715.db2.gz PIWPZQKSZFARHQ-MELADBBJSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000850481978 588551717 /nfs/dbraw/zinc/55/17/17/588551717.db2.gz PIWPZQKSZFARHQ-MELADBBJSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000850481976 588551835 /nfs/dbraw/zinc/55/18/35/588551835.db2.gz PIWPZQKSZFARHQ-IHRRRGAJSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000850481976 588551836 /nfs/dbraw/zinc/55/18/36/588551836.db2.gz PIWPZQKSZFARHQ-IHRRRGAJSA-N 2 2 238.419 2.883 20 0 BFADLP [NH3+]CCOc1ccc([NH2+]CCC2CCC2)cc1 ZINC000852747019 588699144 /nfs/dbraw/zinc/69/91/44/588699144.db2.gz UNYYYYZXCFQAQL-UHFFFAOYSA-N 2 2 234.343 2.626 20 0 BFADLP CCC(F)(F)C[NH2+]CCCc1c[nH+]ccc1C ZINC000862489181 589217333 /nfs/dbraw/zinc/21/73/33/589217333.db2.gz COVUUXJJAUJNGX-UHFFFAOYSA-N 2 2 242.313 2.958 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000863543224 589297085 /nfs/dbraw/zinc/29/70/85/589297085.db2.gz LTGCWQALDYVBRO-HRCADAONSA-N 2 2 244.382 2.712 20 0 BFADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000863546881 589298612 /nfs/dbraw/zinc/29/86/12/589298612.db2.gz OPRGIQSFFNNTCE-COPLHBTASA-N 2 2 236.334 2.535 20 0 BFADLP C[NH2+]CCOc1ccc(-c2cc[nH+]c(C)c2)cc1 ZINC000863693417 589311330 /nfs/dbraw/zinc/31/13/30/589311330.db2.gz IBHXUGIBVYPSSL-UHFFFAOYSA-N 2 2 242.322 2.655 20 0 BFADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866720033 589515305 /nfs/dbraw/zinc/51/53/05/589515305.db2.gz BNASOTLXZDICBV-HOTGVXAUSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866720033 589515306 /nfs/dbraw/zinc/51/53/06/589515306.db2.gz BNASOTLXZDICBV-HOTGVXAUSA-N 2 2 244.382 2.630 20 0 BFADLP CCc1ccccc1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866723640 589515948 /nfs/dbraw/zinc/51/59/48/589515948.db2.gz IIYXSZZUMJVBGJ-HZPDHXFCSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccccc1C[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866723640 589515950 /nfs/dbraw/zinc/51/59/50/589515950.db2.gz IIYXSZZUMJVBGJ-HZPDHXFCSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccccc1C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866723638 589516044 /nfs/dbraw/zinc/51/60/44/589516044.db2.gz IIYXSZZUMJVBGJ-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccccc1C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866723638 589516045 /nfs/dbraw/zinc/51/60/45/589516045.db2.gz IIYXSZZUMJVBGJ-CVEARBPZSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1cc(C)c(CO[NH+]=C(N)[C@H]2C[C@H]2C)c(C)[nH+]1 ZINC000871759191 589807917 /nfs/dbraw/zinc/80/79/17/589807917.db2.gz FSVNQBLEWDBZQW-SKDRFNHKSA-N 2 2 247.342 2.661 20 0 BFADLP CC[C@H](CCC(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000872017764 589856895 /nfs/dbraw/zinc/85/68/95/589856895.db2.gz DOILHYDRARDOGY-SNVBAGLBSA-N 2 2 249.280 2.594 20 0 BFADLP Cc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c(C)c1 ZINC000873229010 590001133 /nfs/dbraw/zinc/00/11/33/590001133.db2.gz NLJHIMUPZMIFIX-JKSUJKDBSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccc(F)cc1C[NH2+][C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230533 590001996 /nfs/dbraw/zinc/00/19/96/590001996.db2.gz SQAFUEHLKBBVTM-CABCVRRESA-N 2 2 248.345 2.508 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC(C)(C)[NH+](C)C ZINC000020125924 590076568 /nfs/dbraw/zinc/07/65/68/590076568.db2.gz IUOKPYMHUCDHQP-LBPRGKRZSA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@@H](C)C[NH2+][C@H](C[NH+](C)C)c1ccccc1 ZINC000020129456 590077551 /nfs/dbraw/zinc/07/75/51/590077551.db2.gz BWEUGRUXYDQXHE-UKRRQHHQSA-N 2 2 234.387 2.925 20 0 BFADLP CCCC[NH2+]CCn1c(C)[nH+]c2ccccc21 ZINC000020186707 590082584 /nfs/dbraw/zinc/08/25/84/590082584.db2.gz SLSOLGVYNZGMJU-UHFFFAOYSA-N 2 2 231.343 2.734 20 0 BFADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)CC1 ZINC000877019945 590269616 /nfs/dbraw/zinc/26/96/16/590269616.db2.gz UZSRKAYHLAMKCD-RRFJBIMHSA-N 2 2 236.403 2.805 20 0 BFADLP CC1=C(C)C[C@H]([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)CC1 ZINC000877019945 590269618 /nfs/dbraw/zinc/26/96/18/590269618.db2.gz UZSRKAYHLAMKCD-RRFJBIMHSA-N 2 2 236.403 2.805 20 0 BFADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)CC1 ZINC000877019941 590269886 /nfs/dbraw/zinc/26/98/86/590269886.db2.gz UZSRKAYHLAMKCD-KFWWJZLASA-N 2 2 236.403 2.805 20 0 BFADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)CC1 ZINC000877019941 590269887 /nfs/dbraw/zinc/26/98/87/590269887.db2.gz UZSRKAYHLAMKCD-KFWWJZLASA-N 2 2 236.403 2.805 20 0 BFADLP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]CC[NH+](C)C)CC1 ZINC000877462113 590328849 /nfs/dbraw/zinc/32/88/49/590328849.db2.gz KQMOBWATSBKDIJ-KGLIPLIRSA-N 2 2 224.392 2.663 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000878036981 590476867 /nfs/dbraw/zinc/47/68/67/590476867.db2.gz UIIQDUOPYXLIRU-NHZBNJEXSA-N 2 2 234.387 2.679 20 0 BFADLP C=C/C=C/CC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000878036981 590476868 /nfs/dbraw/zinc/47/68/68/590476868.db2.gz UIIQDUOPYXLIRU-NHZBNJEXSA-N 2 2 234.387 2.679 20 0 BFADLP C=C/C=C/CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172884 590515294 /nfs/dbraw/zinc/51/52/94/590515294.db2.gz NRALRWURSGXJCK-ONEGZZNKSA-N 2 2 231.343 2.652 20 0 BFADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC=C(Cl)C1 ZINC000878793447 590624564 /nfs/dbraw/zinc/62/45/64/590624564.db2.gz NHLXOQLRPLZFTN-ZDUSSCGKSA-N 2 2 242.794 2.689 20 0 BFADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC=C(Cl)C1 ZINC000878793447 590624565 /nfs/dbraw/zinc/62/45/65/590624565.db2.gz NHLXOQLRPLZFTN-ZDUSSCGKSA-N 2 2 242.794 2.689 20 0 BFADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878793447 590624566 /nfs/dbraw/zinc/62/45/66/590624566.db2.gz NHLXOQLRPLZFTN-ZDUSSCGKSA-N 2 2 242.794 2.689 20 0 BFADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC=C(Cl)C1 ZINC000878793447 590624567 /nfs/dbraw/zinc/62/45/67/590624567.db2.gz NHLXOQLRPLZFTN-ZDUSSCGKSA-N 2 2 242.794 2.689 20 0 BFADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC=C(Cl)C1 ZINC000878793446 590624585 /nfs/dbraw/zinc/62/45/85/590624585.db2.gz NHLXOQLRPLZFTN-CYBMUJFWSA-N 2 2 242.794 2.689 20 0 BFADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC=C(Cl)C1 ZINC000878793446 590624586 /nfs/dbraw/zinc/62/45/86/590624586.db2.gz NHLXOQLRPLZFTN-CYBMUJFWSA-N 2 2 242.794 2.689 20 0 BFADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC=C(Cl)C1 ZINC000878793446 590624587 /nfs/dbraw/zinc/62/45/87/590624587.db2.gz NHLXOQLRPLZFTN-CYBMUJFWSA-N 2 2 242.794 2.689 20 0 BFADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC=C(Cl)C1 ZINC000878793446 590624588 /nfs/dbraw/zinc/62/45/88/590624588.db2.gz NHLXOQLRPLZFTN-CYBMUJFWSA-N 2 2 242.794 2.689 20 0 BFADLP C[N@@H+]1CC[C@@H]2C[NH+]([C@@H]3C=CCCCCC3)CC[C@H]21 ZINC000879583714 590823358 /nfs/dbraw/zinc/82/33/58/590823358.db2.gz ZLEGYQLNRWVTEW-BZUAXINKSA-N 2 2 248.414 2.901 20 0 BFADLP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3C=CCCCCC3)CC[C@H]21 ZINC000879583714 590823362 /nfs/dbraw/zinc/82/33/62/590823362.db2.gz ZLEGYQLNRWVTEW-BZUAXINKSA-N 2 2 248.414 2.901 20 0 BFADLP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3C=CCCCCC3)CC[C@H]21 ZINC000879583714 590823366 /nfs/dbraw/zinc/82/33/66/590823366.db2.gz ZLEGYQLNRWVTEW-BZUAXINKSA-N 2 2 248.414 2.901 20 0 BFADLP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3C=CCCCCC3)CC[C@H]21 ZINC000879583714 590823368 /nfs/dbraw/zinc/82/33/68/590823368.db2.gz ZLEGYQLNRWVTEW-BZUAXINKSA-N 2 2 248.414 2.901 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880133015 590935449 /nfs/dbraw/zinc/93/54/49/590935449.db2.gz YVOBXXLKZHXHJR-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880133015 590935451 /nfs/dbraw/zinc/93/54/51/590935451.db2.gz YVOBXXLKZHXHJR-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133015 590935452 /nfs/dbraw/zinc/93/54/52/590935452.db2.gz YVOBXXLKZHXHJR-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133015 590935454 /nfs/dbraw/zinc/93/54/54/590935454.db2.gz YVOBXXLKZHXHJR-HOTGVXAUSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000880133013 590935734 /nfs/dbraw/zinc/93/57/34/590935734.db2.gz YVOBXXLKZHXHJR-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[NH+]2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000880133013 590935735 /nfs/dbraw/zinc/93/57/35/590935735.db2.gz YVOBXXLKZHXHJR-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133013 590935738 /nfs/dbraw/zinc/93/57/38/590935738.db2.gz YVOBXXLKZHXHJR-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCC[NH+]3C)c1 ZINC000880133013 590935740 /nfs/dbraw/zinc/93/57/40/590935740.db2.gz YVOBXXLKZHXHJR-CVEARBPZSA-N 2 2 244.382 2.664 20 0 BFADLP CC(C)=CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880141968 590936429 /nfs/dbraw/zinc/93/64/29/590936429.db2.gz LGSHHANNVUMXQZ-KBPBESRZSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880141968 590936432 /nfs/dbraw/zinc/93/64/32/590936432.db2.gz LGSHHANNVUMXQZ-KBPBESRZSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880141968 590936434 /nfs/dbraw/zinc/93/64/34/590936434.db2.gz LGSHHANNVUMXQZ-KBPBESRZSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880141968 590936436 /nfs/dbraw/zinc/93/64/36/590936436.db2.gz LGSHHANNVUMXQZ-KBPBESRZSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880141970 590937212 /nfs/dbraw/zinc/93/72/12/590937212.db2.gz LGSHHANNVUMXQZ-UONOGXRCSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880141970 590937201 /nfs/dbraw/zinc/93/72/01/590937201.db2.gz LGSHHANNVUMXQZ-UONOGXRCSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880141970 590937205 /nfs/dbraw/zinc/93/72/05/590937205.db2.gz LGSHHANNVUMXQZ-UONOGXRCSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880141970 590937208 /nfs/dbraw/zinc/93/72/08/590937208.db2.gz LGSHHANNVUMXQZ-UONOGXRCSA-N 2 2 222.376 2.511 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC000880134181 590938372 /nfs/dbraw/zinc/93/83/72/590938372.db2.gz RUIHJRHQTRQLDQ-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC1CCCC1 ZINC000880134181 590938376 /nfs/dbraw/zinc/93/83/76/590938376.db2.gz RUIHJRHQTRQLDQ-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC000880134181 590938380 /nfs/dbraw/zinc/93/83/80/590938380.db2.gz RUIHJRHQTRQLDQ-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC1CCCC1 ZINC000880134181 590938381 /nfs/dbraw/zinc/93/83/81/590938381.db2.gz RUIHJRHQTRQLDQ-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC(C)C[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571874 591098685 /nfs/dbraw/zinc/09/86/85/591098685.db2.gz UVLASPQRMIDJBF-OAHLLOKOSA-N 2 2 243.354 2.870 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129349029 591283097 /nfs/dbraw/zinc/28/30/97/591283097.db2.gz DAXLKQDYXAPLEO-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000129349029 591283098 /nfs/dbraw/zinc/28/30/98/591283098.db2.gz DAXLKQDYXAPLEO-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP COc1cc[nH+]c(NCc2[nH]cc(C(C)C)[nH+]2)c1 ZINC000883077737 591536161 /nfs/dbraw/zinc/53/61/61/591536161.db2.gz USZQLNMXNQDXAE-UHFFFAOYSA-N 2 2 246.314 2.549 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883188870 591567044 /nfs/dbraw/zinc/56/70/44/591567044.db2.gz SCAIYRWEIGKMOH-CABCVRRESA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883188870 591567046 /nfs/dbraw/zinc/56/70/46/591567046.db2.gz SCAIYRWEIGKMOH-CABCVRRESA-N 2 2 248.414 2.783 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H]3C=CCC3)n2c1 ZINC000883237738 591584114 /nfs/dbraw/zinc/58/41/14/591584114.db2.gz JKKHSHQDUFDWHK-CYBMUJFWSA-N 2 2 241.338 2.699 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2(CC3CC3)CC2)C[N@@H+]1C1CC1 ZINC000883249746 591591060 /nfs/dbraw/zinc/59/10/60/591591060.db2.gz PLEMZVDLHUBOOS-JSGCOSHPSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2(CC3CC3)CC2)C[N@H+]1C1CC1 ZINC000883249746 591591061 /nfs/dbraw/zinc/59/10/61/591591061.db2.gz PLEMZVDLHUBOOS-JSGCOSHPSA-N 2 2 248.414 2.782 20 0 BFADLP C[N@H+](CCn1cc[nH+]c1)C1CCCCCCC1 ZINC000131368774 591604425 /nfs/dbraw/zinc/60/44/25/591604425.db2.gz GOMOCQOKBKBCHN-UHFFFAOYSA-N 2 2 235.375 2.928 20 0 BFADLP C[N@@H+](CCn1cc[nH+]c1)C1CCCCCCC1 ZINC000131368774 591604428 /nfs/dbraw/zinc/60/44/28/591604428.db2.gz GOMOCQOKBKBCHN-UHFFFAOYSA-N 2 2 235.375 2.928 20 0 BFADLP CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1c[nH+]c[nH]1 ZINC000886422254 592224328 /nfs/dbraw/zinc/22/43/28/592224328.db2.gz JCSLIFCNWULNMF-HNNXBMFYSA-N 2 2 243.354 2.767 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000257747776 635747415 /nfs/dbraw/zinc/74/74/15/635747415.db2.gz ZZQGDWLVWQAKQN-MRXNPFEDSA-N 2 2 244.382 2.713 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC000257747776 635747424 /nfs/dbraw/zinc/74/74/24/635747424.db2.gz ZZQGDWLVWQAKQN-MRXNPFEDSA-N 2 2 244.382 2.713 20 0 BFADLP C[C@@H](C[NH2+][C@H](C1CC1)C(C)(C)C)[N@H+](C)C1CC1 ZINC000924965605 635812748 /nfs/dbraw/zinc/81/27/48/635812748.db2.gz ANZXNIMVDPAUIW-SMDDNHRTSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H](C1CC1)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000924965605 635812757 /nfs/dbraw/zinc/81/27/57/635812757.db2.gz ANZXNIMVDPAUIW-SMDDNHRTSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C(C)(C)C)[NH+]1CCCCC1 ZINC000309725286 633232692 /nfs/dbraw/zinc/23/26/92/633232692.db2.gz CYJXOUQGONYUBM-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000309810379 633766444 /nfs/dbraw/zinc/76/64/44/633766444.db2.gz YUUYCAZFQYFGJY-SYQHCUMBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000309810379 633766459 /nfs/dbraw/zinc/76/64/59/633766459.db2.gz YUUYCAZFQYFGJY-SYQHCUMBSA-N 2 2 224.392 2.637 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)CC1 ZINC000309818075 633780807 /nfs/dbraw/zinc/78/08/07/633780807.db2.gz VRORWHAOLTYAKQ-KBPBESRZSA-N 2 2 222.376 2.559 20 0 BFADLP CC1=CC[C@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000309818075 633780810 /nfs/dbraw/zinc/78/08/10/633780810.db2.gz VRORWHAOLTYAKQ-KBPBESRZSA-N 2 2 222.376 2.559 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)[NH3+] ZINC000309464756 633923808 /nfs/dbraw/zinc/92/38/08/633923808.db2.gz VNCMAFJJNUCFFE-ZWNOBZJWSA-N 2 2 224.323 2.556 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000309464756 633923814 /nfs/dbraw/zinc/92/38/14/633923814.db2.gz VNCMAFJJNUCFFE-ZWNOBZJWSA-N 2 2 224.323 2.556 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCCCCC1 ZINC000053341477 634166595 /nfs/dbraw/zinc/16/65/95/634166595.db2.gz YYECZUZYNCRHIR-ZDUSSCGKSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCCCCC1 ZINC000053341477 634166602 /nfs/dbraw/zinc/16/66/02/634166602.db2.gz YYECZUZYNCRHIR-ZDUSSCGKSA-N 2 2 224.392 2.783 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C1CCCCC1 ZINC000053341591 634172847 /nfs/dbraw/zinc/17/28/47/634172847.db2.gz SQWCCJUNFGHIQG-UHFFFAOYSA-N 2 2 212.381 2.641 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C1CCCCC1 ZINC000053341591 634172851 /nfs/dbraw/zinc/17/28/51/634172851.db2.gz SQWCCJUNFGHIQG-UHFFFAOYSA-N 2 2 212.381 2.641 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C1CC1 ZINC000251791856 635619189 /nfs/dbraw/zinc/61/91/89/635619189.db2.gz NPQXDZNACBAFMS-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C1CC1 ZINC000251791856 635619190 /nfs/dbraw/zinc/61/91/90/635619190.db2.gz NPQXDZNACBAFMS-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCCC[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041042039 636956656 /nfs/dbraw/zinc/95/66/56/636956656.db2.gz GQMSOCBJHUNQOC-ZDUSSCGKSA-N 2 2 223.364 2.832 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000924733677 637044260 /nfs/dbraw/zinc/04/42/60/637044260.db2.gz VKOIMNHVCYQGFD-WDNDVIMCSA-N 2 2 235.375 2.688 20 0 BFADLP C[N@H+](Cc1cccc(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000042437201 637246156 /nfs/dbraw/zinc/24/61/56/637246156.db2.gz FCQNCMTUJJHEID-ZDUSSCGKSA-N 2 2 238.762 2.509 20 0 BFADLP C[N@@H+](Cc1cccc(Cl)c1)[C@@H](C[NH3+])C1CC1 ZINC000042437201 637246159 /nfs/dbraw/zinc/24/61/59/637246159.db2.gz FCQNCMTUJJHEID-ZDUSSCGKSA-N 2 2 238.762 2.509 20 0 BFADLP C(C1CCCC1)[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903463745 637365487 /nfs/dbraw/zinc/36/54/87/637365487.db2.gz KZTKXHWZFOWISQ-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCCC1)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903463745 637365493 /nfs/dbraw/zinc/36/54/93/637365493.db2.gz KZTKXHWZFOWISQ-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[C@@H](C)C[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904462544 637407193 /nfs/dbraw/zinc/40/71/93/637407193.db2.gz VUAGPXLXFFNENE-KCPJHIHWSA-N 2 2 232.371 2.637 20 0 BFADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000906517190 638188154 /nfs/dbraw/zinc/18/81/54/638188154.db2.gz KCWZDXFMRWCNJL-MGCOHNPYSA-N 2 2 245.153 2.573 20 0 BFADLP CC[NH+]1CCN(c2ccc([NH2+]C(C)C)cc2)CC1 ZINC000149406790 638407069 /nfs/dbraw/zinc/40/70/69/638407069.db2.gz VZDJMZUUDWLOKA-UHFFFAOYSA-N 2 2 247.386 2.649 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000924827660 639297897 /nfs/dbraw/zinc/29/78/97/639297897.db2.gz JRLBSTDCJCKXOS-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000924827660 639297901 /nfs/dbraw/zinc/29/79/01/639297901.db2.gz JRLBSTDCJCKXOS-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](c1ccncc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350828 640166703 /nfs/dbraw/zinc/16/67/03/640166703.db2.gz ZUEQFADPESMFBA-CYBMUJFWSA-N 2 2 247.386 2.559 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(F)F ZINC000931622532 640293238 /nfs/dbraw/zinc/29/32/38/640293238.db2.gz QWBJNGYSKUPVRX-NEPJUHHUSA-N 2 2 246.345 2.590 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(F)F ZINC000931622532 640293242 /nfs/dbraw/zinc/29/32/42/640293242.db2.gz QWBJNGYSKUPVRX-NEPJUHHUSA-N 2 2 246.345 2.590 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC(C)(F)F ZINC000931622532 640293249 /nfs/dbraw/zinc/29/32/49/640293249.db2.gz QWBJNGYSKUPVRX-NEPJUHHUSA-N 2 2 246.345 2.590 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCCC(C)(F)F ZINC000931622532 640293255 /nfs/dbraw/zinc/29/32/55/640293255.db2.gz QWBJNGYSKUPVRX-NEPJUHHUSA-N 2 2 246.345 2.590 20 0 BFADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CCCCC1 ZINC000931726011 640338000 /nfs/dbraw/zinc/33/80/00/640338000.db2.gz BYPOAXLDNQOHDK-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CCCCC1 ZINC000931726011 640338005 /nfs/dbraw/zinc/33/80/05/640338005.db2.gz BYPOAXLDNQOHDK-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1CCCCC1 ZINC000931726011 640338011 /nfs/dbraw/zinc/33/80/11/640338011.db2.gz BYPOAXLDNQOHDK-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1CCCCC1 ZINC000931726011 640338014 /nfs/dbraw/zinc/33/80/14/640338014.db2.gz BYPOAXLDNQOHDK-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000168670619 640818843 /nfs/dbraw/zinc/81/88/43/640818843.db2.gz BBVQNIIODRMUOG-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)s1 ZINC000062254599 641030365 /nfs/dbraw/zinc/03/03/65/641030365.db2.gz NTKXLLQVTLNCIK-NSHDSACASA-N 2 2 249.383 2.679 20 0 BFADLP [NH3+]C[C@H]([NH2+]CC1CC1)c1ccc2ccccc2c1 ZINC000087912353 641151904 /nfs/dbraw/zinc/15/19/04/641151904.db2.gz YDAUFCZXIGWJKX-INIZCTEOSA-N 2 2 240.350 2.839 20 0 BFADLP c1cn(CC[NH2+]C2(C3CCCCC3)CC2)c[nH+]1 ZINC000934787635 641272453 /nfs/dbraw/zinc/27/24/53/641272453.db2.gz KXJNGBPVDQKQOW-UHFFFAOYSA-N 2 2 233.359 2.586 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)CC(C)(C)C1 ZINC000041063663 641541657 /nfs/dbraw/zinc/54/16/57/641541657.db2.gz WOWDUOXUDYGRIC-OLZOCXBDSA-N 2 2 235.375 2.688 20 0 BFADLP CCC[NH2+][C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000043992590 641583835 /nfs/dbraw/zinc/58/38/35/641583835.db2.gz ZTTFVFXCWURNOS-CQSZACIVSA-N 2 2 229.327 2.624 20 0 BFADLP CCc1cccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000420402568 642382489 /nfs/dbraw/zinc/38/24/89/642382489.db2.gz MDBXUCUZSSFLTD-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1cccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1 ZINC000420402568 642382480 /nfs/dbraw/zinc/38/24/80/642382480.db2.gz MDBXUCUZSSFLTD-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000234149348 643523392 /nfs/dbraw/zinc/52/33/92/643523392.db2.gz LUROBZJUKPRLRZ-IUODEOHRSA-N 2 2 232.371 2.652 20 0 BFADLP CC(F)(F)CCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531154 644486985 /nfs/dbraw/zinc/48/69/85/644486985.db2.gz PVFIMWJKLIUTSG-CYBMUJFWSA-N 2 2 246.345 2.640 20 0 BFADLP CC(F)(F)CCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923531154 644486989 /nfs/dbraw/zinc/48/69/89/644486989.db2.gz PVFIMWJKLIUTSG-CYBMUJFWSA-N 2 2 246.345 2.640 20 0 BFADLP CC[N@H+](CC[C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000089749368 644565622 /nfs/dbraw/zinc/56/56/22/644565622.db2.gz PXZPKYHYIOQYGZ-AWEZNQCLSA-N 2 2 232.371 2.821 20 0 BFADLP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000089749368 644565629 /nfs/dbraw/zinc/56/56/29/644565629.db2.gz PXZPKYHYIOQYGZ-AWEZNQCLSA-N 2 2 232.371 2.821 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000251593311 644811480 /nfs/dbraw/zinc/81/14/80/644811480.db2.gz BKNFEZXMPBUOMT-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC[C@H]1C ZINC000251593311 644811483 /nfs/dbraw/zinc/81/14/83/644811483.db2.gz BKNFEZXMPBUOMT-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC12CCC2)[NH+]1CCCCC1 ZINC000800476540 644835776 /nfs/dbraw/zinc/83/57/76/644835776.db2.gz KQLZNOFZBJIPDB-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000252711473 644887380 /nfs/dbraw/zinc/88/73/80/644887380.db2.gz JQJJLQUVLSXVKK-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000252711473 644887382 /nfs/dbraw/zinc/88/73/82/644887382.db2.gz JQJJLQUVLSXVKK-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CC1 ZINC000813336738 644939245 /nfs/dbraw/zinc/93/92/45/644939245.db2.gz SOVOOONMQIYSRC-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CC1 ZINC000813336738 644939247 /nfs/dbraw/zinc/93/92/47/644939247.db2.gz SOVOOONMQIYSRC-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CC1 ZINC000813336738 644939249 /nfs/dbraw/zinc/93/92/49/644939249.db2.gz SOVOOONMQIYSRC-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CC1 ZINC000813336738 644939251 /nfs/dbraw/zinc/93/92/51/644939251.db2.gz SOVOOONMQIYSRC-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000817984113 644994398 /nfs/dbraw/zinc/99/43/98/644994398.db2.gz NFQNXAIQROHBRU-ZBFHGGJFSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000817984111 644995449 /nfs/dbraw/zinc/99/54/49/644995449.db2.gz NFQNXAIQROHBRU-GOEBONIOSA-N 2 2 244.382 2.714 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926521243 645251640 /nfs/dbraw/zinc/25/16/40/645251640.db2.gz MYVLATABWBJAEC-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926521243 645251648 /nfs/dbraw/zinc/25/16/48/645251648.db2.gz MYVLATABWBJAEC-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@@H]1C1CCC1 ZINC000926616602 645318708 /nfs/dbraw/zinc/31/87/08/645318708.db2.gz UKJATQLHBWJTRR-JONQDZQNSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)[C@@H]1C1CCC1 ZINC000926616602 645318715 /nfs/dbraw/zinc/31/87/15/645318715.db2.gz UKJATQLHBWJTRR-JONQDZQNSA-N 2 2 248.414 2.782 20 0 BFADLP CC1(C)C[C@]1(C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926721038 645382942 /nfs/dbraw/zinc/38/29/42/645382942.db2.gz GHPAINWYRLXKOJ-NFAWXSAZSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)C[C@]1(C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926721038 645382950 /nfs/dbraw/zinc/38/29/50/645382950.db2.gz GHPAINWYRLXKOJ-NFAWXSAZSA-N 2 2 236.403 2.782 20 0 BFADLP C=C/C=C\CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926844704 645455080 /nfs/dbraw/zinc/45/50/80/645455080.db2.gz MGXJJUWYCIKEJC-LPUOJRKPSA-N 2 2 234.387 2.725 20 0 BFADLP C=C/C=C\CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926844704 645455086 /nfs/dbraw/zinc/45/50/86/645455086.db2.gz MGXJJUWYCIKEJC-LPUOJRKPSA-N 2 2 234.387 2.725 20 0 BFADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926883512 645475344 /nfs/dbraw/zinc/47/53/44/645475344.db2.gz APDKWVCJIGXSJV-XMEMRUQMSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926883512 645475358 /nfs/dbraw/zinc/47/53/58/645475358.db2.gz APDKWVCJIGXSJV-XMEMRUQMSA-N 2 2 248.414 2.637 20 0 BFADLP CCC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925499176 645936838 /nfs/dbraw/zinc/93/68/38/645936838.db2.gz WOPLRVPTOHFUQK-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CCC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925499176 645936845 /nfs/dbraw/zinc/93/68/45/645936845.db2.gz WOPLRVPTOHFUQK-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C1CC2(C1)CCCC2 ZINC000924543449 646063992 /nfs/dbraw/zinc/06/39/92/646063992.db2.gz YWFQNNQILHREAO-UHFFFAOYSA-N 2 2 224.392 2.639 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925017583 646157016 /nfs/dbraw/zinc/15/70/16/646157016.db2.gz SPNZFLGSJUQIAG-CQSZACIVSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925017583 646157020 /nfs/dbraw/zinc/15/70/20/646157020.db2.gz SPNZFLGSJUQIAG-CQSZACIVSA-N 2 2 248.414 2.783 20 0 BFADLP C(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)CC1CC1 ZINC000925437438 646281839 /nfs/dbraw/zinc/28/18/39/646281839.db2.gz NLFCTYCACJIMJM-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)CC1CC1 ZINC000925437438 646281841 /nfs/dbraw/zinc/28/18/41/646281841.db2.gz NLFCTYCACJIMJM-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C1=CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925436681 646282415 /nfs/dbraw/zinc/28/24/15/646282415.db2.gz GGONEYFTJYYVPT-RRFJBIMHSA-N 2 2 234.387 2.702 20 0 BFADLP C1=CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925436681 646282424 /nfs/dbraw/zinc/28/24/24/646282424.db2.gz GGONEYFTJYYVPT-RRFJBIMHSA-N 2 2 234.387 2.702 20 0 BFADLP CC(C)(C)[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC000926223759 646597811 /nfs/dbraw/zinc/59/78/11/646597811.db2.gz DMCIFGZJDZAYGU-GXTWGEPZSA-N 2 2 247.386 2.612 20 0 BFADLP CC1(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926327895 646617045 /nfs/dbraw/zinc/61/70/45/646617045.db2.gz VWENYMWTOSRGQV-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926327895 646617052 /nfs/dbraw/zinc/61/70/52/646617052.db2.gz VWENYMWTOSRGQV-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC(F)(F)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926494245 646662824 /nfs/dbraw/zinc/66/28/24/646662824.db2.gz CPVSTVLQMVZUMQ-RYUDHWBXSA-N 2 2 246.345 2.638 20 0 BFADLP CC(F)(F)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926494245 646662827 /nfs/dbraw/zinc/66/28/27/646662827.db2.gz CPVSTVLQMVZUMQ-RYUDHWBXSA-N 2 2 246.345 2.638 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724781378 711613111 /nfs/dbraw/zinc/61/31/11/711613111.db2.gz CVSSEQRMCKSXSL-SNVBAGLBSA-N 2 2 223.364 2.941 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000381514516 710650361 /nfs/dbraw/zinc/65/03/61/710650361.db2.gz RYTOGLUYDIZBQI-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CSC(C)(C)CC[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000385880619 711018648 /nfs/dbraw/zinc/01/86/48/711018648.db2.gz XAHCWFJYPQGUNA-LLVKDONJSA-N 2 2 244.448 2.590 20 0 BFADLP CSC(C)(C)CC[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000385880619 711018649 /nfs/dbraw/zinc/01/86/49/711018649.db2.gz XAHCWFJYPQGUNA-LLVKDONJSA-N 2 2 244.448 2.590 20 0 BFADLP CC[C@@H]([NH2+]Cc1[nH]c(C)[nH+]c1C)[C@H]1CC1(C)C ZINC000724683178 711608728 /nfs/dbraw/zinc/60/87/28/711608728.db2.gz IVBOFPJIENXMAO-VXGBXAGGSA-N 2 2 235.375 2.941 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000724780928 711613836 /nfs/dbraw/zinc/61/38/36/711613836.db2.gz SPBPYDHRHXOGFO-OCCSQVGLSA-N 2 2 233.359 2.791 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCC[C@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000724780928 711613837 /nfs/dbraw/zinc/61/38/37/711613837.db2.gz SPBPYDHRHXOGFO-OCCSQVGLSA-N 2 2 233.359 2.791 20 0 BFADLP Cc1ccc(C)c(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000257674230 711725881 /nfs/dbraw/zinc/72/58/81/711725881.db2.gz JGJAFBILKJQUEI-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C)c(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000257674230 711725882 /nfs/dbraw/zinc/72/58/82/711725882.db2.gz JGJAFBILKJQUEI-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123753080 711794250 /nfs/dbraw/zinc/79/42/50/711794250.db2.gz SLYPXSHMTZYJRE-AWEZNQCLSA-N 2 2 249.402 2.721 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123753080 711794251 /nfs/dbraw/zinc/79/42/51/711794251.db2.gz SLYPXSHMTZYJRE-AWEZNQCLSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000705217140 712123877 /nfs/dbraw/zinc/12/38/77/712123877.db2.gz HQMSZVLAVHSTBZ-UPJWGTAASA-N 2 2 235.375 2.543 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000712695163 712448097 /nfs/dbraw/zinc/44/80/97/712448097.db2.gz QHCDCVIZZJLAGQ-AEIGPULVSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000712695163 712448098 /nfs/dbraw/zinc/44/80/98/712448098.db2.gz QHCDCVIZZJLAGQ-AEIGPULVSA-N 2 2 248.414 2.637 20 0 BFADLP Fc1ccccc1C[N@@H+]1CC[NH2+]CCC12CCC2 ZINC000713168398 712453185 /nfs/dbraw/zinc/45/31/85/712453185.db2.gz NJQLHIOXGDRDEN-UHFFFAOYSA-N 2 2 248.345 2.544 20 0 BFADLP Fc1ccccc1C[N@H+]1CC[NH2+]CCC12CCC2 ZINC000713168398 712453187 /nfs/dbraw/zinc/45/31/87/712453187.db2.gz NJQLHIOXGDRDEN-UHFFFAOYSA-N 2 2 248.345 2.544 20 0 BFADLP CC(C)[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156531 712549601 /nfs/dbraw/zinc/54/96/01/712549601.db2.gz IUTAQMTXXMAYCC-CHWSQXEVSA-N 2 2 237.391 2.932 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)C[N@@H+]1C1CC1 ZINC000717159959 712637753 /nfs/dbraw/zinc/63/77/53/712637753.db2.gz LWBQOKLIRBWJBH-BLDNINTCSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)C[N@H+]1C1CC1 ZINC000717159959 712637754 /nfs/dbraw/zinc/63/77/54/712637754.db2.gz LWBQOKLIRBWJBH-BLDNINTCSA-N 2 2 248.414 2.637 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCCC1 ZINC000037482429 712648048 /nfs/dbraw/zinc/64/80/48/712648048.db2.gz WEEZMHCUOUIZQP-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCCC1 ZINC000037482429 712648049 /nfs/dbraw/zinc/64/80/49/712648049.db2.gz WEEZMHCUOUIZQP-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP CCCCCC[C@@H](C)[NH2+]C[C@H](C)[NH+](C)C ZINC000038087897 712806595 /nfs/dbraw/zinc/80/65/95/712806595.db2.gz RMWKUNMMLJTWDT-OLZOCXBDSA-N 2 2 214.397 2.885 20 0 BFADLP CCCCCC[C@H](C)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038087896 712807096 /nfs/dbraw/zinc/80/70/96/712807096.db2.gz RMWKUNMMLJTWDT-QWHCGFSZSA-N 2 2 214.397 2.885 20 0 BFADLP C[C@H](CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]21)CC(C)(C)C ZINC001235071952 966001552 /nfs/dbraw/zinc/00/15/52/966001552.db2.gz DUYWOYUTQPUKSD-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]21)CC(C)(C)C ZINC001235071952 966001566 /nfs/dbraw/zinc/00/15/66/966001566.db2.gz DUYWOYUTQPUKSD-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc(CC[NH+]2CCCCC2)cc(C)[nH+]1 ZINC001250240830 967551547 /nfs/dbraw/zinc/55/15/47/967551547.db2.gz UTSWWPKMNGZEGZ-UHFFFAOYSA-N 2 2 218.344 2.727 20 0 BFADLP CCC[N@@H+](Cc1c[nH+]ccc1N)[C@H](C)CC ZINC001209727075 969581993 /nfs/dbraw/zinc/58/19/93/969581993.db2.gz JFTNOHIKYDQHKB-LLVKDONJSA-N 2 2 221.348 2.505 20 0 BFADLP CCCC[C@H](C)[N@H+](CC)CCn1cc[nH+]c1 ZINC001255333266 970117613 /nfs/dbraw/zinc/11/76/13/970117613.db2.gz JCAGLBKDTWPLMZ-ZDUSSCGKSA-N 2 2 223.364 2.784 20 0 BFADLP CCCC[C@H](C)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001255333266 970117619 /nfs/dbraw/zinc/11/76/19/970117619.db2.gz JCAGLBKDTWPLMZ-ZDUSSCGKSA-N 2 2 223.364 2.784 20 0 BFADLP Cc1cc(C[N@@H+](CC[NH3+])C(C)C)ccc1Cl ZINC001235947707 979219449 /nfs/dbraw/zinc/21/94/49/979219449.db2.gz PDAHARJDQBXUPL-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1cc(C[N@H+](CC[NH3+])C(C)C)ccc1Cl ZINC001235947707 979219459 /nfs/dbraw/zinc/21/94/59/979219459.db2.gz PDAHARJDQBXUPL-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1ccc(C[N@@H+](CC[NH3+])C(C)C)cc1Cl ZINC001235947262 979222301 /nfs/dbraw/zinc/22/23/01/979222301.db2.gz HJYPMPWUTWXCBX-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1ccc(C[N@H+](CC[NH3+])C(C)C)cc1Cl ZINC001235947262 979222307 /nfs/dbraw/zinc/22/23/07/979222307.db2.gz HJYPMPWUTWXCBX-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP CCCCCC[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201756598 983461988 /nfs/dbraw/zinc/46/19/88/983461988.db2.gz OIKBVCBSZYZRGX-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001201756598 983461998 /nfs/dbraw/zinc/46/19/98/983461998.db2.gz OIKBVCBSZYZRGX-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001201756598 983462018 /nfs/dbraw/zinc/46/20/18/983462018.db2.gz OIKBVCBSZYZRGX-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CCCCCC[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001201756598 983462035 /nfs/dbraw/zinc/46/20/35/983462035.db2.gz OIKBVCBSZYZRGX-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@H](CC(C)C)[NH2+][C@H](C)C[NH+]1CCCC1 ZINC001172387176 974732654 /nfs/dbraw/zinc/73/26/54/974732654.db2.gz UEPLZVNAOYXPOB-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246837559 973143839 /nfs/dbraw/zinc/14/38/39/973143839.db2.gz QQXHWRJLOZVCFT-HZSPNIEDSA-N 2 2 244.398 2.962 20 0 BFADLP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246837559 973143856 /nfs/dbraw/zinc/14/38/56/973143856.db2.gz QQXHWRJLOZVCFT-HZSPNIEDSA-N 2 2 244.398 2.962 20 0 BFADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001256576658 970866195 /nfs/dbraw/zinc/86/61/95/970866195.db2.gz PFSFHRGCMFCPSV-GXTWGEPZSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@H]3C[C@H]32)CC1 ZINC001256576658 970866198 /nfs/dbraw/zinc/86/61/98/970866198.db2.gz PFSFHRGCMFCPSV-GXTWGEPZSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)(C)[NH+]1CCC([N@@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001256576661 970867181 /nfs/dbraw/zinc/86/71/81/970867181.db2.gz PFSFHRGCMFCPSV-OCCSQVGLSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)(C)[NH+]1CCC([N@H+]2CCC[C@@H]3C[C@@H]32)CC1 ZINC001256576661 970867186 /nfs/dbraw/zinc/86/71/86/970867186.db2.gz PFSFHRGCMFCPSV-OCCSQVGLSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001257215012 971130058 /nfs/dbraw/zinc/13/00/58/971130058.db2.gz QCEYDBXSQQNROA-CQSZACIVSA-N 2 2 242.382 2.683 20 0 BFADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001257215012 971130065 /nfs/dbraw/zinc/13/00/65/971130065.db2.gz QCEYDBXSQQNROA-CQSZACIVSA-N 2 2 242.382 2.683 20 0 BFADLP CCCC(CCC)n1c[nH+]c(C)c1CC[NH3+] ZINC001257329142 971232262 /nfs/dbraw/zinc/23/22/62/971232262.db2.gz QHXGLBNHIRJOPQ-UHFFFAOYSA-N 2 2 223.364 2.834 20 0 BFADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001257354879 971264884 /nfs/dbraw/zinc/26/48/84/971264884.db2.gz PEUAUXSYGUPKPS-CQSZACIVSA-N 2 2 246.354 2.786 20 0 BFADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001257354879 971264896 /nfs/dbraw/zinc/26/48/96/971264896.db2.gz PEUAUXSYGUPKPS-CQSZACIVSA-N 2 2 246.354 2.786 20 0 BFADLP CCCCCC[C@H](C)n1cc[nH+]c1CC[NH3+] ZINC001257363694 971278838 /nfs/dbraw/zinc/27/88/38/971278838.db2.gz XLDRLYRUJYTPCA-LBPRGKRZSA-N 2 2 223.364 2.916 20 0 BFADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000405757854 971304703 /nfs/dbraw/zinc/30/47/03/971304703.db2.gz FKFICOZUHLHSIW-MRXNPFEDSA-N 2 2 240.350 2.763 20 0 BFADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000405757854 971304712 /nfs/dbraw/zinc/30/47/12/971304712.db2.gz FKFICOZUHLHSIW-MRXNPFEDSA-N 2 2 240.350 2.763 20 0 BFADLP CCCC[C@H](CC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257426074 971330597 /nfs/dbraw/zinc/33/05/97/971330597.db2.gz GDGSYQZXBZQUOY-QLFBSQMISA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257426074 971330606 /nfs/dbraw/zinc/33/06/06/971330606.db2.gz GDGSYQZXBZQUOY-QLFBSQMISA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001257426074 971330609 /nfs/dbraw/zinc/33/06/09/971330609.db2.gz GDGSYQZXBZQUOY-QLFBSQMISA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001257426074 971330613 /nfs/dbraw/zinc/33/06/13/971330613.db2.gz GDGSYQZXBZQUOY-QLFBSQMISA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[NH+]1CCCCC1 ZINC000408510029 971993059 /nfs/dbraw/zinc/99/30/59/971993059.db2.gz BGZJGCWKPLMMJF-BYNSBNAKSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])c2ccccc2)C1 ZINC001246075709 972132266 /nfs/dbraw/zinc/13/22/66/972132266.db2.gz KCQRLZXZDSHISG-VHDGCEQUSA-N 2 2 232.371 2.855 20 0 BFADLP CC[C@H](CC(C)C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172404454 974656441 /nfs/dbraw/zinc/65/64/41/974656441.db2.gz XWBLLANOKXWTEB-RBSFLKMASA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172404454 974656448 /nfs/dbraw/zinc/65/64/48/974656448.db2.gz XWBLLANOKXWTEB-RBSFLKMASA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001172404454 974656453 /nfs/dbraw/zinc/65/64/53/974656453.db2.gz XWBLLANOKXWTEB-RBSFLKMASA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001172404454 974656457 /nfs/dbraw/zinc/65/64/57/974656457.db2.gz XWBLLANOKXWTEB-RBSFLKMASA-N 2 2 238.419 2.837 20 0 BFADLP CCC[C@H](C)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246172718 972203898 /nfs/dbraw/zinc/20/38/98/972203898.db2.gz WRKAMOJQLJWQJW-ZDUSSCGKSA-N 2 2 220.360 2.554 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@H](CC)C1 ZINC000164545452 957627538 /nfs/dbraw/zinc/62/75/38/957627538.db2.gz WPEQMHFVOUJDFY-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@H](CC)C1 ZINC000164545452 957627541 /nfs/dbraw/zinc/62/75/41/957627541.db2.gz WPEQMHFVOUJDFY-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246436770 972311870 /nfs/dbraw/zinc/31/18/70/972311870.db2.gz ACXKXCGXYIJKBE-CHWSQXEVSA-N 2 2 232.371 2.570 20 0 BFADLP C[NH+]1CCC([NH2+]Cc2csc(Cl)c2)CC1 ZINC000393478550 957958382 /nfs/dbraw/zinc/95/83/82/957958382.db2.gz IYGBHANKELJHDC-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+][C@H]1C[NH2+][C@@H](C)C1 ZINC001246436772 972314291 /nfs/dbraw/zinc/31/42/91/972314291.db2.gz ACXKXCGXYIJKBE-QWHCGFSZSA-N 2 2 232.371 2.570 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000398227372 958159697 /nfs/dbraw/zinc/15/96/97/958159697.db2.gz QOZGJDIBGWHFHI-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000398227372 958159702 /nfs/dbraw/zinc/15/97/02/958159702.db2.gz QOZGJDIBGWHFHI-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C1C[C@H]2CC([NH+]3C4CCCC3CCC4)C[C@@H]1[NH2+]2 ZINC000706842963 958249277 /nfs/dbraw/zinc/24/92/77/958249277.db2.gz KRKSNBVMKSWRRS-HONBEQNRSA-N 2 2 234.387 2.676 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000724775818 959442748 /nfs/dbraw/zinc/44/27/48/959442748.db2.gz JJRUBYOFRRUCNZ-TZMCWYRMSA-N 2 2 233.359 2.873 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000724775818 959442757 /nfs/dbraw/zinc/44/27/57/959442757.db2.gz JJRUBYOFRRUCNZ-TZMCWYRMSA-N 2 2 233.359 2.873 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000724775816 959443048 /nfs/dbraw/zinc/44/30/48/959443048.db2.gz JJRUBYOFRRUCNZ-JSGCOSHPSA-N 2 2 233.359 2.873 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000724775816 959443053 /nfs/dbraw/zinc/44/30/53/959443053.db2.gz JJRUBYOFRRUCNZ-JSGCOSHPSA-N 2 2 233.359 2.873 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000692622123 960340302 /nfs/dbraw/zinc/34/03/02/960340302.db2.gz KDAQFJBMJLKSCW-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000692622123 960340316 /nfs/dbraw/zinc/34/03/16/960340316.db2.gz KDAQFJBMJLKSCW-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP CC(C)C[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236435 961010415 /nfs/dbraw/zinc/01/04/15/961010415.db2.gz DUXDAVJCTUDXJF-UHFFFAOYSA-N 2 2 243.354 2.960 20 0 BFADLP CC(C)C[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236435 961010435 /nfs/dbraw/zinc/01/04/35/961010435.db2.gz DUXDAVJCTUDXJF-UHFFFAOYSA-N 2 2 243.354 2.960 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+](CC[NH3+])Cc2ccccc2)C1 ZINC000300090222 961882793 /nfs/dbraw/zinc/88/27/93/961882793.db2.gz FJXPDYQBDLWROT-HIFRSBDPSA-N 2 2 232.371 2.636 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+](CC[NH3+])Cc2ccccc2)C1 ZINC000300090222 961882794 /nfs/dbraw/zinc/88/27/94/961882794.db2.gz FJXPDYQBDLWROT-HIFRSBDPSA-N 2 2 232.371 2.636 20 0 BFADLP [NH3+][C@@H]1CCC[C@H](Nc2cc3ccccc3c[nH+]2)C1 ZINC001154975468 962925475 /nfs/dbraw/zinc/92/54/75/962925475.db2.gz HSBOBWVUWGXSBB-KGLIPLIRSA-N 2 2 241.338 2.917 20 0 BFADLP Cc1cc(F)cc(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC001143580220 963150362 /nfs/dbraw/zinc/15/03/62/963150362.db2.gz AIVXAFRAGFQLPG-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP Cc1cc(F)cc(C[N@H+](C)CCC[NH+](C)C)c1 ZINC001143580220 963150373 /nfs/dbraw/zinc/15/03/73/963150373.db2.gz AIVXAFRAGFQLPG-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP Cc1cccc2cc[nH+]c(N[C@H](C)C[NH+](C)C)c12 ZINC001155922176 963203844 /nfs/dbraw/zinc/20/38/44/963203844.db2.gz UXVONHWCWUBWGY-GFCCVEGCSA-N 2 2 243.354 2.905 20 0 BFADLP Cc1c[nH+]c(N2CC[C@H]([N@@H+](C)C(C)C)C2)cc1C ZINC001157019812 963514725 /nfs/dbraw/zinc/51/47/25/963514725.db2.gz FXQUWEWFTKEJOB-AWEZNQCLSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1c[nH+]c(N2CC[C@H]([N@H+](C)C(C)C)C2)cc1C ZINC001157019812 963514735 /nfs/dbraw/zinc/51/47/35/963514735.db2.gz FXQUWEWFTKEJOB-AWEZNQCLSA-N 2 2 247.386 2.617 20 0 BFADLP CC1CCC([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001168221474 963997117 /nfs/dbraw/zinc/99/71/17/963997117.db2.gz DGCMJWSILZTFKN-JYVUQVBGSA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)CC1 ZINC001168221474 963997122 /nfs/dbraw/zinc/99/71/22/963997122.db2.gz DGCMJWSILZTFKN-JYVUQVBGSA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)CC1 ZINC001168221474 963997129 /nfs/dbraw/zinc/99/71/29/963997129.db2.gz DGCMJWSILZTFKN-JYVUQVBGSA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)CC1 ZINC001168221474 963997134 /nfs/dbraw/zinc/99/71/34/963997134.db2.gz DGCMJWSILZTFKN-JYVUQVBGSA-N 2 2 236.403 2.591 20 0 BFADLP [NH3+]C/C=C/CNc1cc(-c2ccccc2)cc[nH+]1 ZINC001160976600 964465942 /nfs/dbraw/zinc/46/59/42/964465942.db2.gz BEYYTKJLYPCLSS-SNAWJCMRSA-N 2 2 239.322 2.675 20 0 BFADLP C[C@H](CC[NH2+]Cc1ccsc1Cl)[NH+](C)C ZINC000697825887 964548514 /nfs/dbraw/zinc/54/85/14/964548514.db2.gz HOEFQKNGGDZMLU-SECBINFHSA-N 2 2 246.807 2.831 20 0 BFADLP Cc1cc([NH2+]CCCC[NH+](C)C)ccc1N(C)C ZINC001161736317 964723925 /nfs/dbraw/zinc/72/39/25/964723925.db2.gz PAPCPOZDYQIYOP-UHFFFAOYSA-N 2 2 249.402 2.815 20 0 BFADLP Cc1cc(NCCCC[NH+](C)C)ccc1[NH+](C)C ZINC001161736317 964723935 /nfs/dbraw/zinc/72/39/35/964723935.db2.gz PAPCPOZDYQIYOP-UHFFFAOYSA-N 2 2 249.402 2.815 20 0 BFADLP Cc1cc2cc(N[C@@H]3CCC[C@@H]([NH3+])C3)[nH+]cc2[nH]1 ZINC001162394536 964955308 /nfs/dbraw/zinc/95/53/08/964955308.db2.gz QLRWHHLTPLJCFG-VXGBXAGGSA-N 2 2 244.342 2.553 20 0 BFADLP Cc1cc2cc(N[C@@H]3CCC[C@H]([NH3+])C3)[nH+]cc2[nH]1 ZINC001162394534 964956886 /nfs/dbraw/zinc/95/68/86/964956886.db2.gz QLRWHHLTPLJCFG-NWDGAFQWSA-N 2 2 244.342 2.553 20 0 BFADLP Cc1cc2cc(N[C@H]3CCC[C@@H]([NH3+])C3)[nH+]cc2[nH]1 ZINC001162394533 964957377 /nfs/dbraw/zinc/95/73/77/964957377.db2.gz QLRWHHLTPLJCFG-NEPJUHHUSA-N 2 2 244.342 2.553 20 0 BFADLP C[NH2+]CC[N@H+](C)CC[C@@H]1CC=C(C)C1(C)C ZINC001204720396 965072602 /nfs/dbraw/zinc/07/26/02/965072602.db2.gz HFEXCGWATPRWMC-ZDUSSCGKSA-N 2 2 224.392 2.520 20 0 BFADLP C[NH2+]CC[N@@H+](C)CC[C@@H]1CC=C(C)C1(C)C ZINC001204720396 965072611 /nfs/dbraw/zinc/07/26/11/965072611.db2.gz HFEXCGWATPRWMC-ZDUSSCGKSA-N 2 2 224.392 2.520 20 0 BFADLP Cc1cccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)c1 ZINC001203893155 966814546 /nfs/dbraw/zinc/81/45/46/966814546.db2.gz YJOIRCBMASDQHU-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)c1 ZINC001203893155 966814550 /nfs/dbraw/zinc/81/45/50/966814550.db2.gz YJOIRCBMASDQHU-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c1 ZINC001203893155 966814552 /nfs/dbraw/zinc/81/45/52/966814552.db2.gz YJOIRCBMASDQHU-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)c1 ZINC001203893155 966814557 /nfs/dbraw/zinc/81/45/57/966814557.db2.gz YJOIRCBMASDQHU-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2ccccc2C2CC2)C[C@@H]1[NH3+] ZINC000094528243 966933552 /nfs/dbraw/zinc/93/35/52/966933552.db2.gz SFSHQVXJWSGPIW-WBMJQRKESA-N 2 2 244.382 2.733 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1[NH3+] ZINC000094528243 966933564 /nfs/dbraw/zinc/93/35/64/966933564.db2.gz SFSHQVXJWSGPIW-WBMJQRKESA-N 2 2 244.382 2.733 20 0 BFADLP Cc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])sc1C ZINC001204933084 967239094 /nfs/dbraw/zinc/23/90/94/967239094.db2.gz QMNLJLFNPRTIOM-LBPRGKRZSA-N 2 2 238.400 2.678 20 0 BFADLP Cc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])sc1C ZINC001204933084 967239088 /nfs/dbraw/zinc/23/90/88/967239088.db2.gz QMNLJLFNPRTIOM-LBPRGKRZSA-N 2 2 238.400 2.678 20 0 BFADLP Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)o1 ZINC001205170611 967407304 /nfs/dbraw/zinc/40/73/04/967407304.db2.gz AARLZFGAYIZDTD-RAIGVLPGSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@H]([NH3+])[C@H]2C)o1 ZINC001205170611 967407311 /nfs/dbraw/zinc/40/73/11/967407311.db2.gz AARLZFGAYIZDTD-RAIGVLPGSA-N 2 2 236.359 2.503 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205191065 967415139 /nfs/dbraw/zinc/41/51/39/967415139.db2.gz VAMICQPDNQUBNQ-IUODEOHRSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205191065 967415148 /nfs/dbraw/zinc/41/51/48/967415148.db2.gz VAMICQPDNQUBNQ-IUODEOHRSA-N 2 2 232.371 2.732 20 0 BFADLP C[C@H](CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1)CC(C)(C)C ZINC001205895923 967875976 /nfs/dbraw/zinc/87/59/76/967875976.db2.gz QKYGPENPSGHKSU-JHJVBQTASA-N 2 2 244.398 2.820 20 0 BFADLP C[C@H](CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1)CC(C)(C)C ZINC001205895923 967875981 /nfs/dbraw/zinc/87/59/81/967875981.db2.gz QKYGPENPSGHKSU-JHJVBQTASA-N 2 2 244.398 2.820 20 0 BFADLP C[C@@H](CC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1)CC(C)(C)C ZINC001205895924 967876251 /nfs/dbraw/zinc/87/62/51/967876251.db2.gz QKYGPENPSGHKSU-YNEHKIRRSA-N 2 2 244.398 2.820 20 0 BFADLP C[C@@H](CC[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1)CC(C)(C)C ZINC001205895924 967876252 /nfs/dbraw/zinc/87/62/52/967876252.db2.gz QKYGPENPSGHKSU-YNEHKIRRSA-N 2 2 244.398 2.820 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043507 968006767 /nfs/dbraw/zinc/00/67/67/968006767.db2.gz IMAJASWTNUCQHX-CZUORRHYSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206043507 968006780 /nfs/dbraw/zinc/00/67/80/968006780.db2.gz IMAJASWTNUCQHX-CZUORRHYSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206049624 968015863 /nfs/dbraw/zinc/01/58/63/968015863.db2.gz PQXWHULRAQMDFS-CZUORRHYSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)c1 ZINC001206049624 968015865 /nfs/dbraw/zinc/01/58/65/968015865.db2.gz PQXWHULRAQMDFS-CZUORRHYSA-N 2 2 246.398 2.979 20 0 BFADLP CCCCCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336339 968243363 /nfs/dbraw/zinc/24/33/63/968243363.db2.gz MDPUDMCMFNSWPC-CYBMUJFWSA-N 2 2 230.371 2.720 20 0 BFADLP CCCCCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336339 968243374 /nfs/dbraw/zinc/24/33/74/968243374.db2.gz MDPUDMCMFNSWPC-CYBMUJFWSA-N 2 2 230.371 2.720 20 0 BFADLP CCc1[nH+]ccc(C)c1Nc1cc[nH+]c(N)c1 ZINC001206550492 968375848 /nfs/dbraw/zinc/37/58/48/968375848.db2.gz QDTUCLWAVXTDEQ-UHFFFAOYSA-N 2 2 228.299 2.673 20 0 BFADLP CC(C)(C)c1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206722521 968440277 /nfs/dbraw/zinc/44/02/77/968440277.db2.gz BTZMXUUUZMXWQU-UHFFFAOYSA-N 2 2 246.398 2.765 20 0 BFADLP CC(C)(C)[C@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000820735755 968479375 /nfs/dbraw/zinc/47/93/75/968479375.db2.gz VBAAEGTUFFNIJP-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP C[NH+](C)CC(C)(C)CNc1c[nH+]c2c(c1)CCC2 ZINC001168768422 968568975 /nfs/dbraw/zinc/56/89/75/968568975.db2.gz VYMFVKARAYRCMS-UHFFFAOYSA-N 2 2 247.386 2.570 20 0 BFADLP C=Cc1ccc(NC[C@H]2CCC[NH2+]C[C@@H]2C)[nH+]c1 ZINC001155028451 968855523 /nfs/dbraw/zinc/85/55/23/968855523.db2.gz AALZIGSHPMBAIQ-GXTWGEPZSA-N 2 2 245.370 2.772 20 0 BFADLP Cc1cn2cc(-c3ccc(C[NH3+])cc3)ccc2[nH+]1 ZINC001241913812 969143948 /nfs/dbraw/zinc/14/39/48/969143948.db2.gz PKKDVJWPHQSRHT-UHFFFAOYSA-N 2 2 237.306 2.768 20 0 BFADLP c1cc(OC2CC[NH+](CCC3CC3)CC2)cc[nH+]1 ZINC001208680051 969192755 /nfs/dbraw/zinc/19/27/55/969192755.db2.gz ZJUNYEZQRFEQNJ-UHFFFAOYSA-N 2 2 246.354 2.725 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC001169107689 969449759 /nfs/dbraw/zinc/44/97/59/969449759.db2.gz KEVIMLDYVGQKPS-ZRJCITRHSA-N 2 2 234.343 2.555 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC001169107689 969449762 /nfs/dbraw/zinc/44/97/62/969449762.db2.gz KEVIMLDYVGQKPS-ZRJCITRHSA-N 2 2 234.343 2.555 20 0 BFADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001169142644 969455214 /nfs/dbraw/zinc/45/52/14/969455214.db2.gz FDYIPSQSCBUXDV-AALSBFMBSA-N 2 2 248.414 2.876 20 0 BFADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001169142644 969455221 /nfs/dbraw/zinc/45/52/21/969455221.db2.gz FDYIPSQSCBUXDV-AALSBFMBSA-N 2 2 248.414 2.876 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001169142644 969455223 /nfs/dbraw/zinc/45/52/23/969455223.db2.gz FDYIPSQSCBUXDV-AALSBFMBSA-N 2 2 248.414 2.876 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001169142644 969455227 /nfs/dbraw/zinc/45/52/27/969455227.db2.gz FDYIPSQSCBUXDV-AALSBFMBSA-N 2 2 248.414 2.876 20 0 BFADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001169142646 969455518 /nfs/dbraw/zinc/45/55/18/969455518.db2.gz FDYIPSQSCBUXDV-RBGFHDKUSA-N 2 2 248.414 2.876 20 0 BFADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001169142646 969455524 /nfs/dbraw/zinc/45/55/24/969455524.db2.gz FDYIPSQSCBUXDV-RBGFHDKUSA-N 2 2 248.414 2.876 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001169142646 969455529 /nfs/dbraw/zinc/45/55/29/969455529.db2.gz FDYIPSQSCBUXDV-RBGFHDKUSA-N 2 2 248.414 2.876 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001169142646 969455534 /nfs/dbraw/zinc/45/55/34/969455534.db2.gz FDYIPSQSCBUXDV-RBGFHDKUSA-N 2 2 248.414 2.876 20 0 BFADLP C[N@@H+]1CCC2(C[NH+](CCC3CCCCC3)C2)C1 ZINC001276646977 969526725 /nfs/dbraw/zinc/52/67/25/969526725.db2.gz SJNXHEYOXBTYLX-UHFFFAOYSA-N 2 2 236.403 2.594 20 0 BFADLP C[N@H+]1CCC2(C[NH+](CCC3CCCCC3)C2)C1 ZINC001276646977 969526728 /nfs/dbraw/zinc/52/67/28/969526728.db2.gz SJNXHEYOXBTYLX-UHFFFAOYSA-N 2 2 236.403 2.594 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001169246661 969534216 /nfs/dbraw/zinc/53/42/16/969534216.db2.gz TYUKNEAGSYCDJG-AWEZNQCLSA-N 2 2 242.382 2.685 20 0 BFADLP CC[NH+]1CCC([N@H+]2CCCC[C@](C)(F)C2)CC1 ZINC001169246661 969534222 /nfs/dbraw/zinc/53/42/22/969534222.db2.gz TYUKNEAGSYCDJG-AWEZNQCLSA-N 2 2 242.382 2.685 20 0 BFADLP CCC[N@H+](Cc1c[nH+]ccc1N)[C@H](C)CC ZINC001209727075 969581988 /nfs/dbraw/zinc/58/19/88/969581988.db2.gz JFTNOHIKYDQHKB-LLVKDONJSA-N 2 2 221.348 2.505 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH+]2Cc3cccc(F)c3C2)CC1 ZINC001254525200 969723551 /nfs/dbraw/zinc/72/35/51/969723551.db2.gz HGXLOZVQBCBTPO-CYBMUJFWSA-N 2 2 248.345 2.626 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH+]2Cc3cccc(F)c3C2)CC1 ZINC001254525200 969723561 /nfs/dbraw/zinc/72/35/61/969723561.db2.gz HGXLOZVQBCBTPO-CYBMUJFWSA-N 2 2 248.345 2.626 20 0 BFADLP C[NH+]1CCC[C@@H]([N@@H+]2Cc3cccc(F)c3C2)CC1 ZINC001254525200 969723564 /nfs/dbraw/zinc/72/35/64/969723564.db2.gz HGXLOZVQBCBTPO-CYBMUJFWSA-N 2 2 248.345 2.626 20 0 BFADLP C[NH+]1CCC[C@@H]([N@H+]2Cc3cccc(F)c3C2)CC1 ZINC001254525200 969723572 /nfs/dbraw/zinc/72/35/72/969723572.db2.gz HGXLOZVQBCBTPO-CYBMUJFWSA-N 2 2 248.345 2.626 20 0 BFADLP C([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CCCCC1 ZINC001254832809 969797311 /nfs/dbraw/zinc/79/73/11/969797311.db2.gz RMMZRIMORARPPY-OAHLLOKOSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC2CC[NH+](CC2)C1)C1CCCC1 ZINC001254840034 969801013 /nfs/dbraw/zinc/80/10/13/969801013.db2.gz AHROMVDCGUNDDQ-SWLSCSKDSA-N 2 2 236.403 2.639 20 0 BFADLP C1=C(CC[NH2+][C@@H]2CC3CC[NH+](CC3)C2)CCCC1 ZINC001254840171 969801382 /nfs/dbraw/zinc/80/13/82/969801382.db2.gz CWXFKTRIKCLJDK-MRXNPFEDSA-N 2 2 248.414 2.951 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254839882 969802040 /nfs/dbraw/zinc/80/20/40/969802040.db2.gz XHYBIOWBDKRXOL-ZFWWWQNUSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254841685 969802693 /nfs/dbraw/zinc/80/26/93/969802693.db2.gz ZNIJANHRRURWRY-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP C1[C@H]2CCCC[C@@H]2C[NH+]1[C@H]1CC2CC[NH+](CC2)C1 ZINC001254851408 969806175 /nfs/dbraw/zinc/80/61/75/969806175.db2.gz AFOPIGDDGMFUGZ-OAGGEKHMSA-N 2 2 248.414 2.593 20 0 BFADLP C1CCC2(C1)CC[N@@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254862412 969811811 /nfs/dbraw/zinc/81/18/11/969811811.db2.gz JMMIMZSYAORNHK-OAHLLOKOSA-N 2 2 248.414 2.737 20 0 BFADLP C1CCC2(C1)CC[N@H+]([C@@H]1CC3CC[NH+](CC3)C1)C2 ZINC001254862412 969811814 /nfs/dbraw/zinc/81/18/14/969811814.db2.gz JMMIMZSYAORNHK-OAHLLOKOSA-N 2 2 248.414 2.737 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001255319278 970092148 /nfs/dbraw/zinc/09/21/48/970092148.db2.gz HIXBNNCQQYKIGJ-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001255319278 970092166 /nfs/dbraw/zinc/09/21/66/970092166.db2.gz HIXBNNCQQYKIGJ-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](C)[NH2+]CCOc1cc[nH+]cc1 ZINC001255321169 970099699 /nfs/dbraw/zinc/09/96/99/970099699.db2.gz ZOTRYGZVVMCBME-LBPRGKRZSA-N 2 2 222.332 2.629 20 0 BFADLP CCCC[C@H](C)[N@@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001255333759 970114309 /nfs/dbraw/zinc/11/43/09/970114309.db2.gz XJHILIJPSGSHPZ-BFHYXJOUSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[N@H+]1C[C@H]2CCC[NH+](C)[C@@H]2C1 ZINC001255333759 970114312 /nfs/dbraw/zinc/11/43/12/970114312.db2.gz XJHILIJPSGSHPZ-BFHYXJOUSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[NH+]1C[C@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001255333759 970114317 /nfs/dbraw/zinc/11/43/17/970114317.db2.gz XJHILIJPSGSHPZ-BFHYXJOUSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[NH+]1C[C@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001255333759 970114324 /nfs/dbraw/zinc/11/43/24/970114324.db2.gz XJHILIJPSGSHPZ-BFHYXJOUSA-N 2 2 224.392 2.591 20 0 BFADLP C[NH2+]Cc1ccc(Nc2c[nH+]ccc2OC)cc1 ZINC001211128934 970154559 /nfs/dbraw/zinc/15/45/59/970154559.db2.gz MFURPNRDQWPRDW-UHFFFAOYSA-N 2 2 243.310 2.553 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001170118624 970342680 /nfs/dbraw/zinc/34/26/80/970342680.db2.gz SZGZHCSICKPUSE-QEJZJMRPSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCC3)C2)C1 ZINC001170118624 970342689 /nfs/dbraw/zinc/34/26/89/970342689.db2.gz SZGZHCSICKPUSE-QEJZJMRPSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001170117841 970345582 /nfs/dbraw/zinc/34/55/82/970345582.db2.gz NZORXWZJJBVPSP-MELADBBJSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001170117841 970345592 /nfs/dbraw/zinc/34/55/92/970345592.db2.gz NZORXWZJJBVPSP-MELADBBJSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[N@@H+](C2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC001256080139 970646431 /nfs/dbraw/zinc/64/64/31/970646431.db2.gz SCMJXQCCAFKVCP-CHWSQXEVSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[N@H+](C2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC001256080139 970646441 /nfs/dbraw/zinc/64/64/41/970646441.db2.gz SCMJXQCCAFKVCP-CHWSQXEVSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1C[C@@H](C)CC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256080141 970650590 /nfs/dbraw/zinc/65/05/90/970650590.db2.gz SCMJXQCCAFKVCP-QWHCGFSZSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1C[C@@H](C)CC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256080141 970650594 /nfs/dbraw/zinc/65/05/94/970650594.db2.gz SCMJXQCCAFKVCP-QWHCGFSZSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246549976 972699713 /nfs/dbraw/zinc/69/97/13/972699713.db2.gz UNJKZNVIMUNEMM-DZGCQCFKSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1c2ccccc2CC[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246549976 972699722 /nfs/dbraw/zinc/69/97/22/972699722.db2.gz UNJKZNVIMUNEMM-DZGCQCFKSA-N 2 2 244.382 2.748 20 0 BFADLP CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246837561 973143365 /nfs/dbraw/zinc/14/33/65/973143365.db2.gz QQXHWRJLOZVCFT-MELADBBJSA-N 2 2 244.398 2.962 20 0 BFADLP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001246837561 973143412 /nfs/dbraw/zinc/14/34/12/973143412.db2.gz QQXHWRJLOZVCFT-MELADBBJSA-N 2 2 244.398 2.962 20 0 BFADLP C[C@@H]1Cc2ccccc2C[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246868350 973241801 /nfs/dbraw/zinc/24/18/01/973241801.db2.gz LQAIZJZNDBGBBO-CZUORRHYSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@@H]1Cc2ccccc2C[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246868350 973241811 /nfs/dbraw/zinc/24/18/11/973241811.db2.gz LQAIZJZNDBGBBO-CZUORRHYSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H](C)C[NH+](C)C)cc1 ZINC001171656301 974124606 /nfs/dbraw/zinc/12/46/06/974124606.db2.gz ZITJPZYKROSUQS-HUUCEWRRSA-N 2 2 248.414 2.856 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC001172384671 974728978 /nfs/dbraw/zinc/72/89/78/974728978.db2.gz VNGMXPUEIZUCQA-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC001172384671 974728980 /nfs/dbraw/zinc/72/89/80/974728980.db2.gz VNGMXPUEIZUCQA-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](CC(C)C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172387172 974731972 /nfs/dbraw/zinc/73/19/72/974731972.db2.gz UEPLZVNAOYXPOB-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+][C@@H](C)C[NH+]1CCCC1 ZINC001172387165 974732816 /nfs/dbraw/zinc/73/28/16/974732816.db2.gz UEPLZVNAOYXPOB-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001331803999 974823733 /nfs/dbraw/zinc/82/37/33/974823733.db2.gz QQMJJLJSSKXAKY-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC001331803999 974823735 /nfs/dbraw/zinc/82/37/35/974823735.db2.gz QQMJJLJSSKXAKY-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC001173275576 975092492 /nfs/dbraw/zinc/09/24/92/975092492.db2.gz SISQLOWEDDYRJD-MJBXVCDLSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C(C)C)C2)C1 ZINC001173275576 975092499 /nfs/dbraw/zinc/09/24/99/975092499.db2.gz SISQLOWEDDYRJD-MJBXVCDLSA-N 2 2 224.392 2.637 20 0 BFADLP CCCC[C@H](CC(C)C)[NH2+]CC1C[NH+](C)C1 ZINC001173251968 975093550 /nfs/dbraw/zinc/09/35/50/975093550.db2.gz GGTHGONEASBWAI-CQSZACIVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001173273629 975152646 /nfs/dbraw/zinc/15/26/46/975152646.db2.gz OIZVDMAUYWSFDO-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001173273629 975152656 /nfs/dbraw/zinc/15/26/56/975152656.db2.gz OIZVDMAUYWSFDO-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001173273623 975152676 /nfs/dbraw/zinc/15/26/76/975152676.db2.gz OIZVDMAUYWSFDO-IHRRRGAJSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001173273623 975152685 /nfs/dbraw/zinc/15/26/85/975152685.db2.gz OIZVDMAUYWSFDO-IHRRRGAJSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cs1 ZINC001333594950 975879729 /nfs/dbraw/zinc/87/97/29/975879729.db2.gz DGJCWGUYYUMIRG-IRUJWGPZSA-N 2 2 238.400 2.533 20 0 BFADLP CC[N@H+](C)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001173885120 975979321 /nfs/dbraw/zinc/97/93/21/975979321.db2.gz JZUKNVNMSUCBHO-UHFFFAOYSA-N 2 2 227.311 2.703 20 0 BFADLP CC[N@@H+](C)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001173885120 975979342 /nfs/dbraw/zinc/97/93/42/975979342.db2.gz JZUKNVNMSUCBHO-UHFFFAOYSA-N 2 2 227.311 2.703 20 0 BFADLP c1c[nH+]c(Nc2ccc[nH+]c2N2CCCCC2)[nH]1 ZINC001176079049 977873541 /nfs/dbraw/zinc/87/35/41/977873541.db2.gz FLUHYNWJOWMMRE-UHFFFAOYSA-N 2 2 243.314 2.539 20 0 BFADLP Cc1cc(Nc2ccn3cc[nH+]c3c2)cc(C)[nH+]1 ZINC001176051705 977896993 /nfs/dbraw/zinc/89/69/93/977896993.db2.gz ICQFCFZIIKBPMF-UHFFFAOYSA-N 2 2 238.294 2.512 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC001177548944 978394416 /nfs/dbraw/zinc/39/44/16/978394416.db2.gz XZGHJVBWAYLBAW-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc(F)cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[nH+]1 ZINC001339734613 978903438 /nfs/dbraw/zinc/90/34/38/978903438.db2.gz AGDSDJGURXTHAW-YHWZYXNKSA-N 2 2 249.333 2.566 20 0 BFADLP Cc1cc(F)cc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[nH+]1 ZINC001339734613 978903439 /nfs/dbraw/zinc/90/34/39/978903439.db2.gz AGDSDJGURXTHAW-YHWZYXNKSA-N 2 2 249.333 2.566 20 0 BFADLP CCCc1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235161680 978986046 /nfs/dbraw/zinc/98/60/46/978986046.db2.gz WVJTWPWPUNUKGR-JKSUJKDBSA-N 2 2 244.382 2.562 20 0 BFADLP CCCc1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235161680 978986055 /nfs/dbraw/zinc/98/60/55/978986055.db2.gz WVJTWPWPUNUKGR-JKSUJKDBSA-N 2 2 244.382 2.562 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235167474 978987725 /nfs/dbraw/zinc/98/77/25/978987725.db2.gz ZWDVRFHQUUWNBZ-JKSUJKDBSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235167474 978987730 /nfs/dbraw/zinc/98/77/30/978987730.db2.gz ZWDVRFHQUUWNBZ-JKSUJKDBSA-N 2 2 244.382 2.733 20 0 BFADLP CC1=CC[C@@H](CC[N@@H+]2C[C@H]3CC[NH2+]C[C@H]32)C1(C)C ZINC001235214546 979000363 /nfs/dbraw/zinc/00/03/63/979000363.db2.gz XCNGUTFLHABOEM-QLFBSQMISA-N 2 2 248.414 2.663 20 0 BFADLP CC1=CC[C@@H](CC[N@H+]2C[C@H]3CC[NH2+]C[C@H]32)C1(C)C ZINC001235214546 979000366 /nfs/dbraw/zinc/00/03/66/979000366.db2.gz XCNGUTFLHABOEM-QLFBSQMISA-N 2 2 248.414 2.663 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235255277 979010570 /nfs/dbraw/zinc/01/05/70/979010570.db2.gz DEOVIZPKQUOYGQ-HOTGVXAUSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC001235255277 979010574 /nfs/dbraw/zinc/01/05/74/979010574.db2.gz DEOVIZPKQUOYGQ-HOTGVXAUSA-N 2 2 244.382 2.604 20 0 BFADLP CCC(C)(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235364574 979033081 /nfs/dbraw/zinc/03/30/81/979033081.db2.gz ZNWNTRRRKDTEGO-HNNXBMFYSA-N 2 2 246.398 2.907 20 0 BFADLP CCC(C)(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 ZINC001235364574 979033084 /nfs/dbraw/zinc/03/30/84/979033084.db2.gz ZNWNTRRRKDTEGO-HNNXBMFYSA-N 2 2 246.398 2.907 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235675572 979112755 /nfs/dbraw/zinc/11/27/55/979112755.db2.gz ZXCNFMUFYNKWMN-INIZCTEOSA-N 2 2 246.398 2.551 20 0 BFADLP CC[NH2+]CC[N@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001235675572 979112763 /nfs/dbraw/zinc/11/27/63/979112763.db2.gz ZXCNFMUFYNKWMN-INIZCTEOSA-N 2 2 246.398 2.551 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC001235678196 979116370 /nfs/dbraw/zinc/11/63/70/979116370.db2.gz GCFCFFHLZBMMSU-HNNXBMFYSA-N 2 2 232.371 2.741 20 0 BFADLP CC[NH2+]CC[N@H+]1CCC[C@H]1c1ccc(C)cc1 ZINC001235678196 979116376 /nfs/dbraw/zinc/11/63/76/979116376.db2.gz GCFCFFHLZBMMSU-HNNXBMFYSA-N 2 2 232.371 2.741 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001235959877 979224109 /nfs/dbraw/zinc/22/41/09/979224109.db2.gz MJKANGQSFPPIRP-INIZCTEOSA-N 2 2 246.398 2.866 20 0 BFADLP CC[NH2+]CC[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC001235959877 979224129 /nfs/dbraw/zinc/22/41/29/979224129.db2.gz MJKANGQSFPPIRP-INIZCTEOSA-N 2 2 246.398 2.866 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](CC)Cc1ccc(Cl)cc1 ZINC001235961378 979235530 /nfs/dbraw/zinc/23/55/30/979235530.db2.gz BPQBISRTTRDECG-ZDUSSCGKSA-N 2 2 240.778 2.899 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](CC)Cc1ccc(Cl)cc1 ZINC001235961378 979235542 /nfs/dbraw/zinc/23/55/42/979235542.db2.gz BPQBISRTTRDECG-ZDUSSCGKSA-N 2 2 240.778 2.899 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236085824 979372636 /nfs/dbraw/zinc/37/26/36/979372636.db2.gz VZBGYNBVXDFLQU-ZDUSSCGKSA-N 2 2 232.371 2.517 20 0 BFADLP CC[C@H]([NH3+])C[N@H+]1Cc2ccccc2C(C)(C)C1 ZINC001236085824 979372647 /nfs/dbraw/zinc/37/26/47/979372647.db2.gz VZBGYNBVXDFLQU-ZDUSSCGKSA-N 2 2 232.371 2.517 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236421658 979592765 /nfs/dbraw/zinc/59/27/65/979592765.db2.gz RQXFXVIRYXPWFZ-CZUORRHYSA-N 2 2 246.398 2.951 20 0 BFADLP CCCc1ccc(C[N@H+]2CCC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001236421658 979592774 /nfs/dbraw/zinc/59/27/74/979592774.db2.gz RQXFXVIRYXPWFZ-CZUORRHYSA-N 2 2 246.398 2.951 20 0 BFADLP C[NH2+]CC[N@@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001236428930 979596435 /nfs/dbraw/zinc/59/64/35/979596435.db2.gz ROHNXMXULNGYEH-HNNXBMFYSA-N 2 2 232.371 2.660 20 0 BFADLP C[NH2+]CC[N@H+]1CCC[C@H]1c1cc(C)cc(C)c1 ZINC001236428930 979596436 /nfs/dbraw/zinc/59/64/36/979596436.db2.gz ROHNXMXULNGYEH-HNNXBMFYSA-N 2 2 232.371 2.660 20 0 BFADLP CC[NH2+]CC[NH+]1CCC(C)(c2ccccc2)CC1 ZINC001236434397 979599664 /nfs/dbraw/zinc/59/96/64/979599664.db2.gz QDOUEYYEWYOCHR-UHFFFAOYSA-N 2 2 246.398 2.650 20 0 BFADLP C[C@@H]1C[C@H]1C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236645924 979685811 /nfs/dbraw/zinc/68/58/11/979685811.db2.gz CJPNZVFZBOFNHP-IPYPFGDCSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@H]1C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236645924 979685814 /nfs/dbraw/zinc/68/58/14/979685814.db2.gz CJPNZVFZBOFNHP-IPYPFGDCSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@H]1C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236645927 979688064 /nfs/dbraw/zinc/68/80/64/979688064.db2.gz CJPNZVFZBOFNHP-VNHYZAJKSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@H]1C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236645927 979688067 /nfs/dbraw/zinc/68/80/67/979688067.db2.gz CJPNZVFZBOFNHP-VNHYZAJKSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(C(C)C)c1 ZINC001236884115 979776432 /nfs/dbraw/zinc/77/64/32/979776432.db2.gz KFIFSBFWXOTOAM-HNNXBMFYSA-N 2 2 234.387 2.979 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(C(C)C)c1 ZINC001236884115 979776446 /nfs/dbraw/zinc/77/64/46/979776446.db2.gz KFIFSBFWXOTOAM-HNNXBMFYSA-N 2 2 234.387 2.979 20 0 BFADLP CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914180 979795337 /nfs/dbraw/zinc/79/53/37/979795337.db2.gz SRDNUIATCHJLPD-UHFFFAOYSA-N 2 2 249.745 2.977 20 0 BFADLP CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1Cl ZINC001236914180 979795347 /nfs/dbraw/zinc/79/53/47/979795347.db2.gz SRDNUIATCHJLPD-UHFFFAOYSA-N 2 2 249.745 2.977 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001184205833 979973597 /nfs/dbraw/zinc/97/35/97/979973597.db2.gz DAKSBLPNPXXIHF-ZQDZILKHSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1cc(-c2ccccc2C[NH+](C)C)c[nH+]c1N ZINC001239682923 980840799 /nfs/dbraw/zinc/84/07/99/980840799.db2.gz DKIWTEHBUNRURA-UHFFFAOYSA-N 2 2 241.338 2.701 20 0 BFADLP c1cn2cc(-c3cccc4c3CC[NH2+]C4)ccc2[nH+]1 ZINC001240219860 981171055 /nfs/dbraw/zinc/17/10/55/981171055.db2.gz XVRSPVKHKQPATE-UHFFFAOYSA-N 2 2 249.317 2.647 20 0 BFADLP [NH3+]C1(c2ccc(-c3ccn4cc[nH+]c4c3)cc2)CC1 ZINC001240509194 981432730 /nfs/dbraw/zinc/43/27/30/981432730.db2.gz UVTAXRIHDPHJLQ-UHFFFAOYSA-N 2 2 249.317 2.949 20 0 BFADLP c1cn2ccc(-c3cccc4c3C[NH2+]CC4)cc2[nH+]1 ZINC001240510324 981433304 /nfs/dbraw/zinc/43/33/04/981433304.db2.gz HWOFZLXFKRXDAI-UHFFFAOYSA-N 2 2 249.317 2.647 20 0 BFADLP c1cn2ccc(-c3cccc4c[nH+]cn43)cc2[nH+]1 ZINC001240511929 981436505 /nfs/dbraw/zinc/43/65/05/981436505.db2.gz MBHSPLGECZFCQY-UHFFFAOYSA-N 2 2 234.262 2.649 20 0 BFADLP [NH3+][C@@H]1CCc2c1cccc2-c1ccn2cc[nH+]c2c1 ZINC001240512010 981436945 /nfs/dbraw/zinc/43/69/45/981436945.db2.gz OGKKUCFPQTZRAS-OAHLLOKOSA-N 2 2 249.317 2.947 20 0 BFADLP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001205667899 981830915 /nfs/dbraw/zinc/83/09/15/981830915.db2.gz RCOAIYIGXISTPK-TUUVXOQKSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)[C@@H]1CCCC[N@H+]1C1CC1 ZINC001205667899 981830918 /nfs/dbraw/zinc/83/09/18/981830918.db2.gz RCOAIYIGXISTPK-TUUVXOQKSA-N 2 2 248.414 2.782 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000080459817 982426477 /nfs/dbraw/zinc/42/64/77/982426477.db2.gz WXTJJHKIRAAGHU-CABCVRRESA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)CC1CCCCC1 ZINC001201401274 983202600 /nfs/dbraw/zinc/20/26/00/983202600.db2.gz GFTCPOMQRCYJBJ-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)CC1CCCCC1 ZINC001201401274 983202605 /nfs/dbraw/zinc/20/26/05/983202605.db2.gz GFTCPOMQRCYJBJ-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)CCC(C)(C)C ZINC001202114590 983565776 /nfs/dbraw/zinc/56/57/76/983565776.db2.gz AFZMOKVOTSMDJM-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)CCC(C)(C)C ZINC001202114590 983565793 /nfs/dbraw/zinc/56/57/93/983565793.db2.gz AFZMOKVOTSMDJM-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP C[N@@H+]1CCC[C@@]2(CCC[NH+](Cc3ccoc3)C2)C1 ZINC001275943809 984740594 /nfs/dbraw/zinc/74/05/94/984740594.db2.gz SSUJLPABHBBYME-OAHLLOKOSA-N 2 2 248.370 2.587 20 0 BFADLP C[N@H+]1CCC[C@@]2(CCC[NH+](Cc3ccoc3)C2)C1 ZINC001275943809 984740624 /nfs/dbraw/zinc/74/06/24/984740624.db2.gz SSUJLPABHBBYME-OAHLLOKOSA-N 2 2 248.370 2.587 20 0 BFADLP C[NH+]1CCC[C@@]2(CCC[N@H+](Cc3ccoc3)C2)C1 ZINC001275943809 984740658 /nfs/dbraw/zinc/74/06/58/984740658.db2.gz SSUJLPABHBBYME-OAHLLOKOSA-N 2 2 248.370 2.587 20 0 BFADLP C[NH+]1CCC[C@@]2(CCC[N@@H+](Cc3ccoc3)C2)C1 ZINC001275943809 984740700 /nfs/dbraw/zinc/74/07/00/984740700.db2.gz SSUJLPABHBBYME-OAHLLOKOSA-N 2 2 248.370 2.587 20 0 BFADLP CCC[C@@H](CC)[N@H+](C)C1CC[NH+](C)CC1 ZINC001257256587 984858274 /nfs/dbraw/zinc/85/82/74/984858274.db2.gz JMNXJMZOAXAQSI-GFCCVEGCSA-N 2 2 212.381 2.591 20 0 BFADLP CCC[C@@H](CC)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001257256587 984858277 /nfs/dbraw/zinc/85/82/77/984858277.db2.gz JMNXJMZOAXAQSI-GFCCVEGCSA-N 2 2 212.381 2.591 20 0 BFADLP CCC(CC)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257301391 984874469 /nfs/dbraw/zinc/87/44/69/984874469.db2.gz FAQOVOJFZWDMRC-UHFFFAOYSA-N 2 2 226.408 2.980 20 0 BFADLP CCC(CC)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257301391 984874472 /nfs/dbraw/zinc/87/44/72/984874472.db2.gz FAQOVOJFZWDMRC-UHFFFAOYSA-N 2 2 226.408 2.980 20 0 BFADLP CCC[C@H](C)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001257320588 984893375 /nfs/dbraw/zinc/89/33/75/984893375.db2.gz KLROLWLNYFVOOZ-LBPRGKRZSA-N 2 2 212.381 2.591 20 0 BFADLP CCC[C@H](C)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001257320588 984893374 /nfs/dbraw/zinc/89/33/74/984893374.db2.gz KLROLWLNYFVOOZ-LBPRGKRZSA-N 2 2 212.381 2.591 20 0 BFADLP CCc1cccc(C[N@@H+]2CCCC[C@H]2C[NH2+]C)c1 ZINC001578266350 984915136 /nfs/dbraw/zinc/91/51/36/984915136.db2.gz HBFVOHKRUWFMJJ-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1cccc(C[N@H+]2CCCC[C@H]2C[NH2+]C)c1 ZINC001578266350 984915164 /nfs/dbraw/zinc/91/51/64/984915164.db2.gz HBFVOHKRUWFMJJ-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](CCCc2cccc(C)c2)C1 ZINC001578598505 985217946 /nfs/dbraw/zinc/21/79/46/985217946.db2.gz PPWGIQIOZFKPJU-INIZCTEOSA-N 2 2 246.398 2.611 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](CCCc2cccc(C)c2)C1 ZINC001578598505 985217964 /nfs/dbraw/zinc/21/79/64/985217964.db2.gz PPWGIQIOZFKPJU-INIZCTEOSA-N 2 2 246.398 2.611 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1C ZINC000048242000 985348158 /nfs/dbraw/zinc/34/81/58/985348158.db2.gz HZLOICRRUVYCQB-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1C ZINC000048242000 985348173 /nfs/dbraw/zinc/34/81/73/985348173.db2.gz HZLOICRRUVYCQB-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cc(/C=C/C2CC[NH2+]CC2)c(C)c[nH+]1 ZINC001243895919 985577687 /nfs/dbraw/zinc/57/76/87/985577687.db2.gz ITFOAKVUHNPOHR-ONEGZZNKSA-N 2 2 216.328 2.711 20 0 BFADLP Cc1cc(C)c(/C=C/C2CC[NH2+]CC2)c[nH+]1 ZINC001243896365 985580800 /nfs/dbraw/zinc/58/08/00/985580800.db2.gz MGXYHYOTRNFTEP-ONEGZZNKSA-N 2 2 216.328 2.711 20 0 BFADLP Cn1c[nH+]cc1-c1ccc(C2=C[NH2+]CCC2)cc1 ZINC001243951427 985656304 /nfs/dbraw/zinc/65/63/04/985656304.db2.gz HKYDJHGMWAMMJK-UHFFFAOYSA-N 2 2 239.322 2.811 20 0 BFADLP CC1(C)CCC[C@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001258273009 985777673 /nfs/dbraw/zinc/77/76/73/985777673.db2.gz FLIXESALHLQWAA-NSHDSACASA-N 2 2 221.348 2.526 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001258609827 985986913 /nfs/dbraw/zinc/98/69/13/985986913.db2.gz ZTJCVARZDJUZNO-MCIONIFRSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001258609827 985986919 /nfs/dbraw/zinc/98/69/19/985986919.db2.gz ZTJCVARZDJUZNO-MCIONIFRSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001258609827 985986933 /nfs/dbraw/zinc/98/69/33/985986933.db2.gz ZTJCVARZDJUZNO-MCIONIFRSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001258609827 985986949 /nfs/dbraw/zinc/98/69/49/985986949.db2.gz ZTJCVARZDJUZNO-MCIONIFRSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC001461666852 986106732 /nfs/dbraw/zinc/10/67/32/986106732.db2.gz IAJURDWBFWGMKW-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]1CCC[C@@H](C[NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC001461666852 986106764 /nfs/dbraw/zinc/10/67/64/986106764.db2.gz IAJURDWBFWGMKW-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cccc(C2([NH2+]C[C@H]3CCC[NH2+]3)CCC2)c1 ZINC001579757422 986205905 /nfs/dbraw/zinc/20/59/05/986205905.db2.gz ZKXMRRCIPRWWDM-OAHLLOKOSA-N 2 2 244.382 2.716 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC(C)(C)C1)C(C)(C)C ZINC001462650843 986477271 /nfs/dbraw/zinc/47/72/71/986477271.db2.gz FFSKIYYYMVYKFP-ZDUSSCGKSA-N 2 2 240.435 2.990 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CCC(C)(C)C1)C(C)(C)C ZINC001462650843 986477302 /nfs/dbraw/zinc/47/73/02/986477302.db2.gz FFSKIYYYMVYKFP-ZDUSSCGKSA-N 2 2 240.435 2.990 20 0 BFADLP CNc1cc(-c2ccccc2C2([NH3+])CC2)cc[nH+]1 ZINC001244975846 986561857 /nfs/dbraw/zinc/56/18/57/986561857.db2.gz DMRKSBQJURWSJC-UHFFFAOYSA-N 2 2 239.322 2.738 20 0 BFADLP CNc1cc(-c2cccc([C@H](C)[NH3+])c2)cc[nH+]1 ZINC001244975173 986562432 /nfs/dbraw/zinc/56/24/32/986562432.db2.gz CUWGMUOBUQRXPY-JTQLQIEISA-N 2 2 227.311 2.810 20 0 BFADLP Cc1cc(C)c(C[N@H+](C)CCC[NH+]2CCCC2)[nH]1 ZINC001137328197 986786325 /nfs/dbraw/zinc/78/63/25/986786325.db2.gz WOQVHLBNPLNDTD-UHFFFAOYSA-N 2 2 249.402 2.549 20 0 BFADLP Cc1cc(C)c(C[N@@H+](C)CCC[NH+]2CCCC2)[nH]1 ZINC001137328197 986786341 /nfs/dbraw/zinc/78/63/41/986786341.db2.gz WOQVHLBNPLNDTD-UHFFFAOYSA-N 2 2 249.402 2.549 20 0 BFADLP Cc1cc(-c2cccc(C(C)(C)[NH3+])c2)c[nH+]c1N ZINC001245539004 986927303 /nfs/dbraw/zinc/92/73/03/986927303.db2.gz CKVNIRPAKXKVSV-UHFFFAOYSA-N 2 2 241.338 2.833 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@@H](F)C1 ZINC001255957696 987100288 /nfs/dbraw/zinc/10/02/88/987100288.db2.gz UTERDNIVEWMUNC-ZIAGYGMSSA-N 2 2 244.398 2.931 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@@H](F)C1 ZINC001255957696 987100306 /nfs/dbraw/zinc/10/03/06/987100306.db2.gz UTERDNIVEWMUNC-ZIAGYGMSSA-N 2 2 244.398 2.931 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000695683946 987331598 /nfs/dbraw/zinc/33/15/98/987331598.db2.gz QXJQRYLDEZBPBM-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000695683946 987331613 /nfs/dbraw/zinc/33/16/13/987331613.db2.gz QXJQRYLDEZBPBM-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246073936 987363892 /nfs/dbraw/zinc/36/38/92/987363892.db2.gz BIARVJRHYGZHLV-OCCSQVGLSA-N 2 2 220.360 2.855 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246073937 987365193 /nfs/dbraw/zinc/36/51/93/987365193.db2.gz BIARVJRHYGZHLV-TZMCWYRMSA-N 2 2 220.360 2.855 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])c2ccccc2)C1 ZINC001246075697 987365707 /nfs/dbraw/zinc/36/57/07/987365707.db2.gz KCQRLZXZDSHISG-BPLDGKMQSA-N 2 2 232.371 2.855 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246076746 987367641 /nfs/dbraw/zinc/36/76/41/987367641.db2.gz PKLUIDNNBBIQGC-KBPBESRZSA-N 2 2 220.360 2.855 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246087637 987388213 /nfs/dbraw/zinc/38/82/13/987388213.db2.gz PMPFAARYWOKKKS-YNEHKIRRSA-N 2 2 230.371 2.635 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2(c3ccccc3)CCCC2)C[NH2+]1 ZINC001246180702 987552948 /nfs/dbraw/zinc/55/29/48/987552948.db2.gz RFJRRWREWAQOKW-UKRRQHHQSA-N 2 2 244.382 2.796 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2(c3ccccc3)CCCC2)C[NH2+]1 ZINC001246180701 987554404 /nfs/dbraw/zinc/55/44/04/987554404.db2.gz RFJRRWREWAQOKW-HIFRSBDPSA-N 2 2 244.382 2.796 20 0 BFADLP CCC[C@@H](C)CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246204925 987599083 /nfs/dbraw/zinc/59/90/83/987599083.db2.gz IRJDWFLTCZUTGJ-ZOBORPQBSA-N 2 2 244.398 2.881 20 0 BFADLP c1cc2cc(C[NH2+][C@@H]3CCCC[NH2+]C3)ccc2o1 ZINC001246205792 987603721 /nfs/dbraw/zinc/60/37/21/987603721.db2.gz VOWNLZQCDXSVOA-CQSZACIVSA-N 2 2 244.338 2.665 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246214311 987609159 /nfs/dbraw/zinc/60/91/59/987609159.db2.gz GVAQXIIFFQTPMZ-XJFOESAGSA-N 2 2 244.398 2.737 20 0 BFADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246220371 987616549 /nfs/dbraw/zinc/61/65/49/987616549.db2.gz JOSDHQCYLYLZJX-QRTUWBSPSA-N 2 2 238.419 2.789 20 0 BFADLP CCCCC[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001246220045 987617265 /nfs/dbraw/zinc/61/72/65/987617265.db2.gz CFJJHEJKEYNDCY-ZIAGYGMSSA-N 2 2 226.408 2.935 20 0 BFADLP C=Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC001246238995 987639591 /nfs/dbraw/zinc/63/95/91/987639591.db2.gz XBMCRIMYXBBYMT-SWLSCSKDSA-N 2 2 230.355 2.560 20 0 BFADLP Cc1ccc(C(C)(C)[NH2+][C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC001246240288 987641913 /nfs/dbraw/zinc/64/19/13/987641913.db2.gz QWGXQBZAABNMLG-OCCSQVGLSA-N 2 2 232.371 2.570 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C[NH2+]1 ZINC001246274863 987670379 /nfs/dbraw/zinc/67/03/79/987670379.db2.gz WVUMYKOZXMXMFE-MAZHCROVSA-N 2 2 244.382 2.868 20 0 BFADLP c1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001246284216 987677845 /nfs/dbraw/zinc/67/78/45/987677845.db2.gz CICLKNKSLWZZBT-CVEARBPZSA-N 2 2 244.382 2.869 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccccc2)C2CCC2)C[NH2+]1 ZINC001246288591 987681577 /nfs/dbraw/zinc/68/15/77/987681577.db2.gz MAFIVLZNAHDTSF-DAXOMENPSA-N 2 2 244.382 2.868 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2C[NH2+][C@H](C)C2)c1 ZINC001246294705 987687448 /nfs/dbraw/zinc/68/74/48/987687448.db2.gz HMOFAXHAFUXQBA-UMVBOHGHSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+][C@H](C)C2)cc1C ZINC001246307795 987709168 /nfs/dbraw/zinc/70/91/68/987709168.db2.gz OPGZQQFUGHFLDB-IPYPFGDCSA-N 2 2 232.371 2.704 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccncc1 ZINC001246322484 987728023 /nfs/dbraw/zinc/72/80/23/987728023.db2.gz BAHGUYHKZAPHQX-CFVMTHIKSA-N 2 2 247.386 2.653 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001474552318 987758347 /nfs/dbraw/zinc/75/83/47/987758347.db2.gz GALDWJKMGLVMDG-CQSZACIVSA-N 2 2 222.376 2.561 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001474552318 987758353 /nfs/dbraw/zinc/75/83/53/987758353.db2.gz GALDWJKMGLVMDG-CQSZACIVSA-N 2 2 222.376 2.561 20 0 BFADLP Fc1ccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCC2)cc1 ZINC001246350553 987760063 /nfs/dbraw/zinc/76/00/63/987760063.db2.gz QFYMRXHJQSHKJA-CQSZACIVSA-N 2 2 248.345 2.547 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001474552317 987760262 /nfs/dbraw/zinc/76/02/62/987760262.db2.gz GALDWJKMGLVMDG-AWEZNQCLSA-N 2 2 222.376 2.561 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001474552317 987760274 /nfs/dbraw/zinc/76/02/74/987760274.db2.gz GALDWJKMGLVMDG-AWEZNQCLSA-N 2 2 222.376 2.561 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+][C@@H]2C[NH2+][C@H](C)C2)c1 ZINC001246389623 987778396 /nfs/dbraw/zinc/77/83/96/987778396.db2.gz OGEGZRPDHZPFOY-OCCSQVGLSA-N 2 2 232.371 2.570 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246436938 987798823 /nfs/dbraw/zinc/79/88/23/987798823.db2.gz BTRGOSHRTSZNAX-UONOGXRCSA-N 2 2 246.398 2.960 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC001246438007 987799680 /nfs/dbraw/zinc/79/96/80/987799680.db2.gz HQVBXLLETOIHCA-CQSZACIVSA-N 2 2 246.398 2.962 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1ccccc1 ZINC001246461532 987820941 /nfs/dbraw/zinc/82/09/41/987820941.db2.gz LHFLYCGOGPHLIQ-BPLDGKMQSA-N 2 2 232.371 2.868 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC001246491950 987847649 /nfs/dbraw/zinc/84/76/49/987847649.db2.gz VIZZFNVBYHNYNA-BJJXKVORSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@@H](Cc1ccco1)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246508698 987863315 /nfs/dbraw/zinc/86/33/15/987863315.db2.gz XKBLYOAJOSMWHX-SWLSCSKDSA-N 2 2 244.338 2.500 20 0 BFADLP C[NH2+][C@H](C)CC[NH2+]Cc1cc(Cl)ccc1F ZINC001117953652 987967154 /nfs/dbraw/zinc/96/71/54/987967154.db2.gz KSHFMLLHFFTCMM-SECBINFHSA-N 2 2 244.741 2.567 20 0 BFADLP CCCC[C@H](CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246565923 988024521 /nfs/dbraw/zinc/02/45/21/988024521.db2.gz QQXHWRJLOZVCFT-MGPQQGTHSA-N 2 2 244.398 2.962 20 0 BFADLP CCCC[C@H](CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246565923 988024537 /nfs/dbraw/zinc/02/45/37/988024537.db2.gz QQXHWRJLOZVCFT-MGPQQGTHSA-N 2 2 244.398 2.962 20 0 BFADLP C1[NH2+]CC12C[NH+](C1CCC3(CCCCC3)CC1)C2 ZINC001246615821 988249969 /nfs/dbraw/zinc/24/99/69/988249969.db2.gz WDJZYACQOQKJDK-UHFFFAOYSA-N 2 2 248.414 2.785 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246866527 988622480 /nfs/dbraw/zinc/62/24/80/988622480.db2.gz KSMSMWTYCUBJEJ-DUVNUKRYSA-N 2 2 244.382 2.746 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246866527 988622488 /nfs/dbraw/zinc/62/24/88/988622488.db2.gz KSMSMWTYCUBJEJ-DUVNUKRYSA-N 2 2 244.382 2.746 20 0 BFADLP C1[C@H]2C[NH2+]C[C@@H]2[N@@H+]1C1CCC2(CCCCC2)CC1 ZINC001246919520 988728920 /nfs/dbraw/zinc/72/89/20/988728920.db2.gz NKZSBZOCUINOBX-HIFRSBDPSA-N 2 2 248.414 2.783 20 0 BFADLP C1[C@H]2C[NH2+]C[C@@H]2[N@H+]1C1CCC2(CCCCC2)CC1 ZINC001246919520 988728930 /nfs/dbraw/zinc/72/89/30/988728930.db2.gz NKZSBZOCUINOBX-HIFRSBDPSA-N 2 2 248.414 2.783 20 0 BFADLP C[C@@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246957762 988789210 /nfs/dbraw/zinc/78/92/10/988789210.db2.gz CMFWZMUJBALQHP-CZUORRHYSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246957762 988789216 /nfs/dbraw/zinc/78/92/16/988789216.db2.gz CMFWZMUJBALQHP-CZUORRHYSA-N 2 2 244.382 2.792 20 0 BFADLP Cc1ccc2c(c1)[nH+]c(CCC[NH3+])n2CC1CC1 ZINC001247045254 988848540 /nfs/dbraw/zinc/84/85/40/988848540.db2.gz BJUCEYPSTLZNAQ-UHFFFAOYSA-N 2 2 243.354 2.646 20 0 BFADLP C(C[N@@H+]1CC[C@H]2CCCC[C@H]2C1)[NH+]1CCCC1 ZINC001119733762 989373742 /nfs/dbraw/zinc/37/37/42/989373742.db2.gz UDQTWAJGRSBBEP-CABCVRRESA-N 2 2 236.403 2.594 20 0 BFADLP C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)[NH+]1CCCC1 ZINC001119733762 989373760 /nfs/dbraw/zinc/37/37/60/989373760.db2.gz UDQTWAJGRSBBEP-CABCVRRESA-N 2 2 236.403 2.594 20 0 BFADLP C(C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1)[NH+]1CCCC1 ZINC001119733763 989375419 /nfs/dbraw/zinc/37/54/19/989375419.db2.gz UDQTWAJGRSBBEP-GJZGRUSLSA-N 2 2 236.403 2.594 20 0 BFADLP C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)[NH+]1CCCC1 ZINC001119733763 989375422 /nfs/dbraw/zinc/37/54/22/989375422.db2.gz UDQTWAJGRSBBEP-GJZGRUSLSA-N 2 2 236.403 2.594 20 0 BFADLP CCc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]c1 ZINC001120883319 989947231 /nfs/dbraw/zinc/94/72/31/989947231.db2.gz FPJSLUZWROQFLH-KBPBESRZSA-N 2 2 245.370 2.683 20 0 BFADLP CCc1ccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]c1 ZINC001120883319 989947237 /nfs/dbraw/zinc/94/72/37/989947237.db2.gz FPJSLUZWROQFLH-KBPBESRZSA-N 2 2 245.370 2.683 20 0 BFADLP Cc1[nH+]ccn1CCCNc1cc(F)cc(C)[nH+]1 ZINC001120901890 989959574 /nfs/dbraw/zinc/95/95/74/989959574.db2.gz FDPOQELDHQQVPW-UHFFFAOYSA-N 2 2 248.305 2.536 20 0 BFADLP Cc1[nH+]cn(C2C[C@@H](C)C[C@H](C)C2)c1CC[NH3+] ZINC001258151272 991032239 /nfs/dbraw/zinc/03/22/39/991032239.db2.gz HVMGONNVMHQYCS-QWRGUYRKSA-N 2 2 235.375 2.690 20 0 BFADLP C[C@@H]1CC([N@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC001258161824 991055860 /nfs/dbraw/zinc/05/58/60/991055860.db2.gz FROAIYMXOXMNEM-STQMWFEESA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC([N@@H+](C)C2CC[NH+](C)CC2)C[C@@H](C)C1 ZINC001258161824 991055864 /nfs/dbraw/zinc/05/58/64/991055864.db2.gz FROAIYMXOXMNEM-STQMWFEESA-N 2 2 238.419 2.837 20 0 BFADLP CSCC[C@@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258212175 991133742 /nfs/dbraw/zinc/13/37/42/991133742.db2.gz COBNSRQEXMAYHJ-LLVKDONJSA-N 2 2 249.383 2.566 20 0 BFADLP CSC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001258314087 991239844 /nfs/dbraw/zinc/23/98/44/991239844.db2.gz AUMHVAFLOGEACL-RYUDHWBXSA-N 2 2 244.448 2.590 20 0 BFADLP CSC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001258314087 991239855 /nfs/dbraw/zinc/23/98/55/991239855.db2.gz AUMHVAFLOGEACL-RYUDHWBXSA-N 2 2 244.448 2.590 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H]1C(C)C ZINC001308970665 991244816 /nfs/dbraw/zinc/24/48/16/991244816.db2.gz MWFYPTUKSRKCLY-KKUMJFAQSA-N 2 2 240.435 2.987 20 0 BFADLP CC1(C[NH3+])C[NH+](Cc2ccc(C3CCC3)cc2)C1 ZINC001206738145 991357361 /nfs/dbraw/zinc/35/73/61/991357361.db2.gz VYNZIZGRKRJZCS-UHFFFAOYSA-N 2 2 244.382 2.735 20 0 BFADLP C[C@@H](Cc1ccsc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000162146443 991514949 /nfs/dbraw/zinc/51/49/49/991514949.db2.gz PJRMKFWANTZTHI-LBPRGKRZSA-N 2 2 249.383 2.508 20 0 BFADLP C[C@@H](Cc1ccsc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000162146443 991514959 /nfs/dbraw/zinc/51/49/59/991514959.db2.gz PJRMKFWANTZTHI-LBPRGKRZSA-N 2 2 249.383 2.508 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001258815516 991830129 /nfs/dbraw/zinc/83/01/29/991830129.db2.gz XTJNMSSICROUFH-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001258815516 991830136 /nfs/dbraw/zinc/83/01/36/991830136.db2.gz XTJNMSSICROUFH-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1[nH+]c2c(n1[C@@H]1CCC[C@@H](C)C1)CC[NH2+]CC2 ZINC001258817876 991833902 /nfs/dbraw/zinc/83/39/02/991833902.db2.gz BWHGWYSUDYWFFT-DGCLKSJQSA-N 2 2 247.386 2.631 20 0 BFADLP C[C@@H]1CCC[C@H]([N@@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001258826198 991852221 /nfs/dbraw/zinc/85/22/21/991852221.db2.gz BQEJNPMBKZHMRI-CBBWQLFWSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([N@H+]2C[C@@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001258826198 991852230 /nfs/dbraw/zinc/85/22/30/991852230.db2.gz BQEJNPMBKZHMRI-CBBWQLFWSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001258826198 991852233 /nfs/dbraw/zinc/85/22/33/991852233.db2.gz BQEJNPMBKZHMRI-CBBWQLFWSA-N 2 2 236.403 2.591 20 0 BFADLP C[C@@H]1CCC[C@H]([NH+]2C[C@@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001258826198 991852240 /nfs/dbraw/zinc/85/22/40/991852240.db2.gz BQEJNPMBKZHMRI-CBBWQLFWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H](Cc1ccccc1)n1cc[nH+]c1CC[NH3+] ZINC001258838470 991871217 /nfs/dbraw/zinc/87/12/17/991871217.db2.gz YVYIOORNMBBRMB-AWEZNQCLSA-N 2 2 243.354 2.578 20 0 BFADLP CC(C)([NH2+]CCn1cc[nH+]c1)C1CCCCC1 ZINC001320927188 992402700 /nfs/dbraw/zinc/40/27/00/992402700.db2.gz YXHYONWVPZYRAK-UHFFFAOYSA-N 2 2 235.375 2.832 20 0 BFADLP FC(F)CCC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001262206777 992801457 /nfs/dbraw/zinc/80/14/57/992801457.db2.gz LDTUEGSDMCLGKA-NWDGAFQWSA-N 2 2 246.345 2.638 20 0 BFADLP FC(F)CCC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001262206777 992801459 /nfs/dbraw/zinc/80/14/59/992801459.db2.gz LDTUEGSDMCLGKA-NWDGAFQWSA-N 2 2 246.345 2.638 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001262221481 992812885 /nfs/dbraw/zinc/81/28/85/992812885.db2.gz RYBMRKUFGAAIFZ-RBSFLKMASA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001262221481 992812890 /nfs/dbraw/zinc/81/28/90/992812890.db2.gz RYBMRKUFGAAIFZ-RBSFLKMASA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001262221481 992812891 /nfs/dbraw/zinc/81/28/91/992812891.db2.gz RYBMRKUFGAAIFZ-RBSFLKMASA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001262221481 992812898 /nfs/dbraw/zinc/81/28/98/992812898.db2.gz RYBMRKUFGAAIFZ-RBSFLKMASA-N 2 2 236.403 2.593 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC000381600615 993410833 /nfs/dbraw/zinc/41/08/33/993410833.db2.gz NDPRCOSFHLIUPU-DOMZBBRYSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1 ZINC000381600615 993410840 /nfs/dbraw/zinc/41/08/40/993410840.db2.gz NDPRCOSFHLIUPU-DOMZBBRYSA-N 2 2 232.371 2.561 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(C)cc1F ZINC001577397244 993641446 /nfs/dbraw/zinc/64/14/46/993641446.db2.gz SBDBCXBIEIYUEM-ZDUSSCGKSA-N 2 2 238.350 2.741 20 0 BFADLP CC(C)CC(CC(C)C)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000385257729 993655571 /nfs/dbraw/zinc/65/55/71/993655571.db2.gz SEBHABRMBVZCSB-AWEZNQCLSA-N 2 2 240.435 2.989 20 0 BFADLP CC(C)CC(CC(C)C)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000385257729 993655581 /nfs/dbraw/zinc/65/55/81/993655581.db2.gz SEBHABRMBVZCSB-AWEZNQCLSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@H]1C[C@H]([N@@H+]2CC[NH2+]C[C@@H](C)C2)CC(C)(C)C1 ZINC000385259548 993655641 /nfs/dbraw/zinc/65/56/41/993655641.db2.gz UVTUEIIBXHCCEB-MJBXVCDLSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[C@H]([N@H+]2CC[NH2+]C[C@@H](C)C2)CC(C)(C)C1 ZINC000385259548 993655644 /nfs/dbraw/zinc/65/56/44/993655644.db2.gz UVTUEIIBXHCCEB-MJBXVCDLSA-N 2 2 238.419 2.743 20 0 BFADLP CCc1cccc2c(C[N@H+](C)C[C@H](C)[NH3+])c[nH]c21 ZINC000386215086 993681924 /nfs/dbraw/zinc/68/19/24/993681924.db2.gz YFXMDQNJYBNCKZ-NSHDSACASA-N 2 2 245.370 2.509 20 0 BFADLP CCc1cccc2c(C[N@@H+](C)C[C@H](C)[NH3+])c[nH]c21 ZINC000386215086 993681930 /nfs/dbraw/zinc/68/19/30/993681930.db2.gz YFXMDQNJYBNCKZ-NSHDSACASA-N 2 2 245.370 2.509 20 0 BFADLP Cc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cs1 ZINC000390514581 993793129 /nfs/dbraw/zinc/79/31/29/993793129.db2.gz CCLPZPBDERQZDS-GWCFXTLKSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C[NH3+])cs1 ZINC000390514581 993793138 /nfs/dbraw/zinc/79/31/38/993793138.db2.gz CCLPZPBDERQZDS-GWCFXTLKSA-N 2 2 238.400 2.616 20 0 BFADLP Cn1c[nH+]c(CC[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421374041 192322128 /nfs/dbraw/zinc/32/21/28/192322128.db2.gz AVFNJPPRKQGCDS-UHFFFAOYSA-N 2 2 247.386 2.665 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@H]1CCC[NH2+]1 ZINC000422941884 398159571 /nfs/dbraw/zinc/15/95/71/398159571.db2.gz VXMXHLSOZOMMOI-VCTAVGKDSA-N 2 2 248.345 2.543 20 0 BFADLP Cc1cc(C[NH2+]CCCn2cc[nH+]c2)c(C)s1 ZINC000049685501 178020446 /nfs/dbraw/zinc/02/04/46/178020446.db2.gz JMQFZGUASHDFHH-UHFFFAOYSA-N 2 2 249.383 2.741 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c(C)s1 ZINC000049687029 178033326 /nfs/dbraw/zinc/03/33/26/178033326.db2.gz JUEAYFROPHSSFE-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c(C)s1 ZINC000049687029 178033328 /nfs/dbraw/zinc/03/33/28/178033328.db2.gz JUEAYFROPHSSFE-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP CC[C@@H](C)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000421378718 192323197 /nfs/dbraw/zinc/32/31/97/192323197.db2.gz KLZVQWJEDWIULY-LLVKDONJSA-N 2 2 231.343 2.778 20 0 BFADLP CS[C@H](C)C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000336693533 398193703 /nfs/dbraw/zinc/19/37/03/398193703.db2.gz LFZBUGSZDRPJQV-GFCCVEGCSA-N 2 2 238.400 2.664 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000446763654 201695121 /nfs/dbraw/zinc/69/51/21/201695121.db2.gz XTUVLEYCSJEUIV-RFGFWPKPSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000446763654 201695124 /nfs/dbraw/zinc/69/51/24/201695124.db2.gz XTUVLEYCSJEUIV-RFGFWPKPSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165158587 398213954 /nfs/dbraw/zinc/21/39/54/398213954.db2.gz POMHUIQKJRUBOX-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@H]1CC1(C)C ZINC000576410864 365589715 /nfs/dbraw/zinc/58/97/15/365589715.db2.gz OBXXDVHMMMGUAN-CHWSQXEVSA-N 2 2 235.375 2.643 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165177301 538934823 /nfs/dbraw/zinc/93/48/23/538934823.db2.gz AVDXOMQQHJAESR-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP c1c[nH+]c(-c2ccccc2C[NH+]2CCCC2)[nH]1 ZINC000649434123 398235433 /nfs/dbraw/zinc/23/54/33/398235433.db2.gz XVJACNFLKPDDKV-UHFFFAOYSA-N 2 2 227.311 2.673 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cs1 ZINC000294208928 178247890 /nfs/dbraw/zinc/24/78/90/178247890.db2.gz MKXBCCZXYZUPQD-AAEUAGOBSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cs1 ZINC000294208928 178247893 /nfs/dbraw/zinc/24/78/93/178247893.db2.gz MKXBCCZXYZUPQD-AAEUAGOBSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cccc(CCNc2cc[nH+]c(C)c2)[nH+]1 ZINC000280543936 538937964 /nfs/dbraw/zinc/93/79/64/538937964.db2.gz SSCZBVNWONBFOZ-UHFFFAOYSA-N 2 2 227.311 2.748 20 0 BFADLP CCC(CC)C[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000035258948 168363740 /nfs/dbraw/zinc/36/37/40/168363740.db2.gz FOPVIHCZOVROAS-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000576544676 365623008 /nfs/dbraw/zinc/62/30/08/365623008.db2.gz RXMUBVBYQYCNSB-CABCVRRESA-N 2 2 246.398 2.722 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000576544676 365623012 /nfs/dbraw/zinc/62/30/12/365623012.db2.gz RXMUBVBYQYCNSB-CABCVRRESA-N 2 2 246.398 2.722 20 0 BFADLP Cc1ccc(NCCCc2ccc(C)[nH+]c2)[nH+]c1 ZINC000354179316 178361309 /nfs/dbraw/zinc/36/13/09/178361309.db2.gz BWHPTZQQDPDHOQ-UHFFFAOYSA-N 2 2 241.338 2.560 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000576764867 365681076 /nfs/dbraw/zinc/68/10/76/365681076.db2.gz CFBKSFZNPGOGSC-KGLIPLIRSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000576764867 365681082 /nfs/dbraw/zinc/68/10/82/365681082.db2.gz CFBKSFZNPGOGSC-KGLIPLIRSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C(C)C ZINC000037319578 538962094 /nfs/dbraw/zinc/96/20/94/538962094.db2.gz LWQAAJJSLFEHMT-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000053343398 168388801 /nfs/dbraw/zinc/38/88/01/168388801.db2.gz NDWHWNUCFUMIPV-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP CCC(CC)[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000053343398 168388803 /nfs/dbraw/zinc/38/88/03/168388803.db2.gz NDWHWNUCFUMIPV-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC000309657668 342776664 /nfs/dbraw/zinc/77/66/64/342776664.db2.gz FEIKFAMRRXUEER-UONOGXRCSA-N 2 2 222.376 2.558 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@@H]2C=CCCC2)C1 ZINC000309657668 342776665 /nfs/dbraw/zinc/77/66/65/342776665.db2.gz FEIKFAMRRXUEER-UONOGXRCSA-N 2 2 222.376 2.558 20 0 BFADLP CCC(CC)[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037167103 168391767 /nfs/dbraw/zinc/39/17/67/168391767.db2.gz DOCHLHXOTRMRPU-ZDUSSCGKSA-N 2 2 214.397 2.741 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000040672406 538972696 /nfs/dbraw/zinc/97/26/96/538972696.db2.gz RLPSJRSAKOTPSY-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000040672406 538972697 /nfs/dbraw/zinc/97/26/97/538972697.db2.gz RLPSJRSAKOTPSY-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672353 538972733 /nfs/dbraw/zinc/97/27/33/538972733.db2.gz TXAXIVMNGOXMGC-CZUORRHYSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672353 538972734 /nfs/dbraw/zinc/97/27/34/538972734.db2.gz TXAXIVMNGOXMGC-CZUORRHYSA-N 2 2 246.398 2.994 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000040671957 538972776 /nfs/dbraw/zinc/97/27/76/538972776.db2.gz NZCXZLAKEZWTOU-SMDDNHRTSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000040671957 538972777 /nfs/dbraw/zinc/97/27/77/538972777.db2.gz NZCXZLAKEZWTOU-SMDDNHRTSA-N 2 2 236.334 2.571 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000040672356 538973121 /nfs/dbraw/zinc/97/31/21/538973121.db2.gz TXAXIVMNGOXMGC-BBRMVZONSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672356 538973122 /nfs/dbraw/zinc/97/31/22/538973122.db2.gz TXAXIVMNGOXMGC-BBRMVZONSA-N 2 2 246.398 2.994 20 0 BFADLP Cn1cc[nH+]c1-c1cccc2c1CC(C)(C)[C@@H]2[NH3+] ZINC000630052888 361922112 /nfs/dbraw/zinc/92/21/12/361922112.db2.gz NBFOKDAJUASYEV-CYBMUJFWSA-N 2 2 241.338 2.669 20 0 BFADLP CC[NH+](CC)C[C@H](C)Nc1cccc(C)[nH+]1 ZINC000041676899 538976181 /nfs/dbraw/zinc/97/61/81/538976181.db2.gz FVBFHVIURKWNMG-LBPRGKRZSA-N 2 2 221.348 2.532 20 0 BFADLP CC/C=C/CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000381574113 539003966 /nfs/dbraw/zinc/00/39/66/539003966.db2.gz YYODIBZLOIFICT-VBROQKIQSA-N 2 2 224.392 2.805 20 0 BFADLP CC/C=C/CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000381574113 539003968 /nfs/dbraw/zinc/00/39/68/539003968.db2.gz YYODIBZLOIFICT-VBROQKIQSA-N 2 2 224.392 2.805 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2CCC[C@H]2F)c[nH+]1 ZINC000354666434 398329661 /nfs/dbraw/zinc/32/96/61/398329661.db2.gz ZODRTJKNHPOJJY-KGLIPLIRSA-N 2 2 236.334 2.803 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300139752 398337576 /nfs/dbraw/zinc/33/75/76/398337576.db2.gz OQWNJZABINHQEA-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300139752 398337577 /nfs/dbraw/zinc/33/75/77/398337577.db2.gz OQWNJZABINHQEA-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCC1 ZINC000313261784 259332216 /nfs/dbraw/zinc/33/22/16/259332216.db2.gz JHDGEUMXSSPOLL-HNNXBMFYSA-N 2 2 249.402 2.911 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313261842 259331969 /nfs/dbraw/zinc/33/19/69/259331969.db2.gz JSSXGVGWBHVSTI-JSGCOSHPSA-N 2 2 247.386 2.545 20 0 BFADLP CCCC1CCC([NH2+]CC[N@H+](C)CC)CC1 ZINC000049938149 534927349 /nfs/dbraw/zinc/92/73/49/534927349.db2.gz IDQQDCMBTWDWBE-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC1CCC([NH2+]CC[N@@H+](C)CC)CC1 ZINC000049938149 534927360 /nfs/dbraw/zinc/92/73/60/534927360.db2.gz IDQQDCMBTWDWBE-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313271732 259332619 /nfs/dbraw/zinc/33/26/19/259332619.db2.gz POESODITSGJAEX-LBPRGKRZSA-N 2 2 223.364 2.521 20 0 BFADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccsc1 ZINC000313272269 259332859 /nfs/dbraw/zinc/33/28/59/259332859.db2.gz QMZHHMMFORVHTI-ZDUSSCGKSA-N 2 2 249.383 2.765 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccco1 ZINC000019942970 342963900 /nfs/dbraw/zinc/96/39/00/342963900.db2.gz RCBFKGHQZKOAHI-LBPRGKRZSA-N 2 2 224.348 2.662 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccs1 ZINC000019960051 342964588 /nfs/dbraw/zinc/96/45/88/342964588.db2.gz VBLGDESUJJAHBW-RYUDHWBXSA-N 2 2 238.400 2.883 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccs1 ZINC000019960051 342964589 /nfs/dbraw/zinc/96/45/89/342964589.db2.gz VBLGDESUJJAHBW-RYUDHWBXSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@H]([NH2+]CC[NH+](C)C)c1ccc(C)cc1 ZINC000021966707 343031678 /nfs/dbraw/zinc/03/16/78/343031678.db2.gz NEYNUKXTZGPVLY-AWEZNQCLSA-N 2 2 220.360 2.597 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C=CCCC1 ZINC000177326250 346926819 /nfs/dbraw/zinc/92/68/19/346926819.db2.gz DYHHCHNLMLRLBS-ZNMIVQPWSA-N 2 2 234.387 2.654 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2[C@H]1C=CCCC1 ZINC000177326250 346926821 /nfs/dbraw/zinc/92/68/21/346926821.db2.gz DYHHCHNLMLRLBS-ZNMIVQPWSA-N 2 2 234.387 2.654 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1C=CCCC1 ZINC000177326250 346926823 /nfs/dbraw/zinc/92/68/23/346926823.db2.gz DYHHCHNLMLRLBS-ZNMIVQPWSA-N 2 2 234.387 2.654 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1C=CCCC1 ZINC000177326250 346926825 /nfs/dbraw/zinc/92/68/25/346926825.db2.gz DYHHCHNLMLRLBS-ZNMIVQPWSA-N 2 2 234.387 2.654 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000034675371 343277129 /nfs/dbraw/zinc/27/71/29/343277129.db2.gz GBXLPQNVFDJRGJ-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000034675371 343277131 /nfs/dbraw/zinc/27/71/31/343277131.db2.gz GBXLPQNVFDJRGJ-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP Cc1ccc(C2CC([NH2+]C[C@@H](C)[NH+](C)C)C2)cc1 ZINC000038087759 178513549 /nfs/dbraw/zinc/51/35/49/178513549.db2.gz IYYDTBOSWPLMGE-IUDNXUCKSA-N 2 2 246.398 2.781 20 0 BFADLP C[C@@H](CCc1ccco1)[NH2+]CC(C)(C)[NH+](C)C ZINC000035451558 343296976 /nfs/dbraw/zinc/29/69/76/343296976.db2.gz GVSSOFIRTKEMJV-LBPRGKRZSA-N 2 2 238.375 2.531 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000035805030 343304464 /nfs/dbraw/zinc/30/44/64/343304464.db2.gz ODZIMJLCSOJDAI-DHINHOHASA-N 2 2 244.382 2.774 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000035805030 343304465 /nfs/dbraw/zinc/30/44/65/343304465.db2.gz ODZIMJLCSOJDAI-DHINHOHASA-N 2 2 244.382 2.774 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000038087445 343369546 /nfs/dbraw/zinc/36/95/46/343369546.db2.gz DFLQFNCKTBPBHP-ZFWWWQNUSA-N 2 2 234.387 2.923 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccccc1 ZINC000037157983 343337499 /nfs/dbraw/zinc/33/74/99/343337499.db2.gz HONINRAKVCYRBL-QWHCGFSZSA-N 2 2 229.327 2.622 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)[NH+](C)C ZINC000408510727 323047256 /nfs/dbraw/zinc/04/72/56/323047256.db2.gz ZHXHHVRMPBTUSS-BYNSBNAKSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000166294331 136331596 /nfs/dbraw/zinc/33/15/96/136331596.db2.gz KHZAQNBOHBYJMH-STQMWFEESA-N 2 2 226.408 2.728 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000166294331 136331597 /nfs/dbraw/zinc/33/15/97/136331597.db2.gz KHZAQNBOHBYJMH-STQMWFEESA-N 2 2 226.408 2.728 20 0 BFADLP C[C@@H]1CC[N@H+](CC2(C)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000335703492 136334996 /nfs/dbraw/zinc/33/49/96/136334996.db2.gz KRRBLXWMRAAIJO-ZIAGYGMSSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2(C)CCC2)C[C@H]1n1cc[nH+]c1 ZINC000335703492 136334997 /nfs/dbraw/zinc/33/49/97/136334997.db2.gz KRRBLXWMRAAIJO-ZIAGYGMSSA-N 2 2 247.386 2.956 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@H]2C(C)C)n1C ZINC000668190770 488218766 /nfs/dbraw/zinc/21/87/66/488218766.db2.gz NETFXJFVMAFOOQ-CYBMUJFWSA-N 2 2 235.375 2.595 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@H]2C(C)C)n1C ZINC000668190770 488218768 /nfs/dbraw/zinc/21/87/68/488218768.db2.gz NETFXJFVMAFOOQ-CYBMUJFWSA-N 2 2 235.375 2.595 20 0 BFADLP CCCCCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000042545286 343443155 /nfs/dbraw/zinc/44/31/55/343443155.db2.gz CDJICRAKDPTLLQ-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCCCCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000042545286 343443157 /nfs/dbraw/zinc/44/31/57/343443157.db2.gz CDJICRAKDPTLLQ-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@H](C[NH2+]CC[C@H](C)c1ccccc1)[NH+](C)C ZINC000043534213 343477292 /nfs/dbraw/zinc/47/72/92/343477292.db2.gz JHSGOXVAARBBFE-UONOGXRCSA-N 2 2 234.387 2.720 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000070975790 343579692 /nfs/dbraw/zinc/57/96/92/343579692.db2.gz XYGRWGOQXOSFJU-INIZCTEOSA-N 2 2 246.398 2.692 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000070975790 343579693 /nfs/dbraw/zinc/57/96/93/343579693.db2.gz XYGRWGOQXOSFJU-INIZCTEOSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@H](CC[NH+](C)C)Nc1ccc2ccccc2[nH+]1 ZINC000049558680 343602713 /nfs/dbraw/zinc/60/27/13/343602713.db2.gz VIIVDJQUCOUJSK-GFCCVEGCSA-N 2 2 243.354 2.987 20 0 BFADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccsc2)CC1 ZINC000050344317 343613912 /nfs/dbraw/zinc/61/39/12/343613912.db2.gz JSHGUXBBIPSASD-NSHDSACASA-N 2 2 238.400 2.883 20 0 BFADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccsc2)CC1 ZINC000050344320 343614058 /nfs/dbraw/zinc/61/40/58/343614058.db2.gz JSHGUXBBIPSASD-LLVKDONJSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179763323 346996086 /nfs/dbraw/zinc/99/60/86/346996086.db2.gz HGQRSKSKJCOAQY-CYBMUJFWSA-N 2 2 243.354 2.956 20 0 BFADLP CC[C@@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179763323 346996088 /nfs/dbraw/zinc/99/60/88/346996088.db2.gz HGQRSKSKJCOAQY-CYBMUJFWSA-N 2 2 243.354 2.956 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348090599 537830156 /nfs/dbraw/zinc/83/01/56/537830156.db2.gz WOZGPPUYUWRFID-CABCVRRESA-N 2 2 236.403 2.641 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357784 537837853 /nfs/dbraw/zinc/83/78/53/537837853.db2.gz CWTPJHDCOWFUNC-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357784 537837865 /nfs/dbraw/zinc/83/78/65/537837865.db2.gz CWTPJHDCOWFUNC-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCC[C@H]1C ZINC000126173199 344170563 /nfs/dbraw/zinc/17/05/63/344170563.db2.gz HVGUBFPXKPRPLC-BXUZGUMPSA-N 2 2 218.344 2.711 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000156646013 344148161 /nfs/dbraw/zinc/14/81/61/344148161.db2.gz MFPNBVCDGHDNAJ-UKRRQHHQSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000156646013 344148163 /nfs/dbraw/zinc/14/81/63/344148163.db2.gz MFPNBVCDGHDNAJ-UKRRQHHQSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCCC1 ZINC000387702414 347031016 /nfs/dbraw/zinc/03/10/16/347031016.db2.gz XLEXXZKTOUDIEL-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP C/C=C\C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000385068943 344314230 /nfs/dbraw/zinc/31/42/30/344314230.db2.gz VOKOSASNZISOFS-ARJAWSKDSA-N 2 2 241.338 2.846 20 0 BFADLP C/C=C/C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000385048300 344304631 /nfs/dbraw/zinc/30/46/31/344304631.db2.gz SDPHVPYOMCUIDR-YMBFEGSUSA-N 2 2 244.382 2.815 20 0 BFADLP C/C=C/C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000385048300 344304633 /nfs/dbraw/zinc/30/46/33/344304633.db2.gz SDPHVPYOMCUIDR-YMBFEGSUSA-N 2 2 244.382 2.815 20 0 BFADLP C/C=C/C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000385048297 344305156 /nfs/dbraw/zinc/30/51/56/344305156.db2.gz SDPHVPYOMCUIDR-AIROSISHSA-N 2 2 244.382 2.815 20 0 BFADLP C/C=C/C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000385048297 344305158 /nfs/dbraw/zinc/30/51/58/344305158.db2.gz SDPHVPYOMCUIDR-AIROSISHSA-N 2 2 244.382 2.815 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)s1 ZINC000043326271 344488622 /nfs/dbraw/zinc/48/86/22/344488622.db2.gz ZNZXFOVHHXFWCO-IUCAKERBSA-N 2 2 244.791 2.804 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000153796678 344975833 /nfs/dbraw/zinc/97/58/33/344975833.db2.gz DLBXXJMXCWGPDS-DZGCQCFKSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000153796678 344975837 /nfs/dbraw/zinc/97/58/37/344975837.db2.gz DLBXXJMXCWGPDS-DZGCQCFKSA-N 2 2 236.403 2.782 20 0 BFADLP C[NH+](C)C1(CNc2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641638843 362567778 /nfs/dbraw/zinc/56/77/78/362567778.db2.gz UUXCEQJNROUZLP-UHFFFAOYSA-N 2 2 247.386 2.885 20 0 BFADLP CC(C)CC[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992928 345188325 /nfs/dbraw/zinc/18/83/25/345188325.db2.gz GBGPKMLLUNWYBY-SHARSMKWSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)CC[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992928 345188327 /nfs/dbraw/zinc/18/83/27/345188327.db2.gz GBGPKMLLUNWYBY-SHARSMKWSA-N 2 2 236.403 2.639 20 0 BFADLP C([N@@H+]1CCC[C@H](C2CCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000635001780 345201254 /nfs/dbraw/zinc/20/12/54/345201254.db2.gz FWWRRTJYOSKRGT-SIWZUTFBSA-N 2 2 248.414 2.641 20 0 BFADLP C([N@H+]1CCC[C@H](C2CCC2)CC1)C12CC(C1)C[NH2+]2 ZINC000635001780 345201256 /nfs/dbraw/zinc/20/12/56/345201256.db2.gz FWWRRTJYOSKRGT-SIWZUTFBSA-N 2 2 248.414 2.641 20 0 BFADLP CC(C)c1ccc(C[N@H+](C)[C@H](C)C[NH3+])cc1 ZINC000158509105 345341567 /nfs/dbraw/zinc/34/15/67/345341567.db2.gz MILNGSXKYALGBG-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccc(C[N@@H+](C)[C@H](C)C[NH3+])cc1 ZINC000158509105 345341570 /nfs/dbraw/zinc/34/15/70/345341570.db2.gz MILNGSXKYALGBG-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP Cc1ccc([C@@H](C[NH2+]C(C)C)[NH+](C)C)cc1 ZINC000075825479 178855965 /nfs/dbraw/zinc/85/59/65/178855965.db2.gz BQRBBRFZJWTYDD-CQSZACIVSA-N 2 2 220.360 2.596 20 0 BFADLP CC(C)CCC[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000159210711 345416091 /nfs/dbraw/zinc/41/60/91/345416091.db2.gz MWRSRXHKHSLTNC-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CCCCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159017101 345399946 /nfs/dbraw/zinc/39/99/46/345399946.db2.gz XLQKWMASAGSVCQ-UONOGXRCSA-N 2 2 235.375 2.956 20 0 BFADLP CCCCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000159017101 345399949 /nfs/dbraw/zinc/39/99/49/345399949.db2.gz XLQKWMASAGSVCQ-UONOGXRCSA-N 2 2 235.375 2.956 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000093052537 345655671 /nfs/dbraw/zinc/65/56/71/345655671.db2.gz ZNECSMIRTRBRNK-HOCLYGCPSA-N 2 2 248.414 2.795 20 0 BFADLP c1ccc(NC2CC[NH+](C3CCCC3)CC2)[nH+]c1 ZINC000221823574 345747197 /nfs/dbraw/zinc/74/71/97/345747197.db2.gz DJIXXRUNYCQSSR-UHFFFAOYSA-N 2 2 245.370 2.901 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628214073 345876519 /nfs/dbraw/zinc/87/65/19/345876519.db2.gz JMCYOZJQGNAXOV-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628214073 345876520 /nfs/dbraw/zinc/87/65/20/345876520.db2.gz JMCYOZJQGNAXOV-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000294500015 346060674 /nfs/dbraw/zinc/06/06/74/346060674.db2.gz ZKGDTBHGRPXJCS-CHWSQXEVSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccsc1 ZINC000294500015 346060677 /nfs/dbraw/zinc/06/06/77/346060677.db2.gz ZKGDTBHGRPXJCS-CHWSQXEVSA-N 2 2 238.400 2.883 20 0 BFADLP C/C=C\C[C@H]1CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000626163252 346274817 /nfs/dbraw/zinc/27/48/17/346274817.db2.gz HIUIVCQLJZNSFC-SFAKSCPVSA-N 2 2 233.359 2.561 20 0 BFADLP C/C=C\C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000626163252 346274820 /nfs/dbraw/zinc/27/48/20/346274820.db2.gz HIUIVCQLJZNSFC-SFAKSCPVSA-N 2 2 233.359 2.561 20 0 BFADLP C/C=C/C[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000626164183 346277041 /nfs/dbraw/zinc/27/70/41/346277041.db2.gz YADAKQHBBDXURX-NHZBNJEXSA-N 2 2 247.386 2.870 20 0 BFADLP C/C=C/C[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000626164183 346277043 /nfs/dbraw/zinc/27/70/43/346277043.db2.gz YADAKQHBBDXURX-NHZBNJEXSA-N 2 2 247.386 2.870 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1cccc(F)c1 ZINC000020126972 259388545 /nfs/dbraw/zinc/38/85/45/259388545.db2.gz LMIIFSFRLIVZRQ-GFCCVEGCSA-N 2 2 236.334 2.572 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000076764148 179028112 /nfs/dbraw/zinc/02/81/12/179028112.db2.gz QERXAGAWNADLQH-UHFFFAOYSA-N 2 2 229.327 2.743 20 0 BFADLP Cc1cccc(C[N@@H+](C)[C@H]2CCCC[NH2+]C2)c1 ZINC000054135564 179069743 /nfs/dbraw/zinc/06/97/43/179069743.db2.gz VEIWDWWOSAIAGS-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1cccc(C[N@H+](C)[C@H]2CCCC[NH2+]C2)c1 ZINC000054135564 179069746 /nfs/dbraw/zinc/06/97/46/179069746.db2.gz VEIWDWWOSAIAGS-HNNXBMFYSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)c1 ZINC000062254684 179094027 /nfs/dbraw/zinc/09/40/27/179094027.db2.gz BZOGNBNILIJRBB-AWEZNQCLSA-N 2 2 243.354 2.617 20 0 BFADLP Cc1cccc([N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000235698383 179116435 /nfs/dbraw/zinc/11/64/35/179116435.db2.gz ZMQOPEXPBAWYRJ-KBPBESRZSA-N 2 2 232.371 2.819 20 0 BFADLP Cc1cccc([N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000235698383 179116436 /nfs/dbraw/zinc/11/64/36/179116436.db2.gz ZMQOPEXPBAWYRJ-KBPBESRZSA-N 2 2 232.371 2.819 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000623015321 346542599 /nfs/dbraw/zinc/54/25/99/346542599.db2.gz YGUNXVIDMLCDMB-PWSUYJOCSA-N 2 2 240.297 2.566 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1[C@H](C)C[C@@H]1C ZINC000580127317 346544136 /nfs/dbraw/zinc/54/41/36/346544136.db2.gz GOBXZZBEQZXKJJ-BETUJISGSA-N 2 2 218.344 2.805 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1[C@H](C)C[C@@H]1C ZINC000580127317 346544141 /nfs/dbraw/zinc/54/41/41/346544141.db2.gz GOBXZZBEQZXKJJ-BETUJISGSA-N 2 2 218.344 2.805 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1[C@H](C)C[C@H]1C ZINC000580127318 346544230 /nfs/dbraw/zinc/54/42/30/346544230.db2.gz GOBXZZBEQZXKJJ-CHWSQXEVSA-N 2 2 218.344 2.805 20 0 BFADLP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000251209604 179180133 /nfs/dbraw/zinc/18/01/33/179180133.db2.gz ZFIJATOWIPHWHL-BMFZPTHFSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1cccc([C@@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000251209604 179180135 /nfs/dbraw/zinc/18/01/35/179180135.db2.gz ZFIJATOWIPHWHL-BMFZPTHFSA-N 2 2 244.382 2.882 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1CCC(F)(F)CC1)[NH+](C)C ZINC000353310976 187372766 /nfs/dbraw/zinc/37/27/66/187372766.db2.gz GNJIUMNCKHGKHW-GHMZBOCLSA-N 2 2 248.361 2.740 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+]CC1([NH+](C)C)CCC1 ZINC000394843420 323143832 /nfs/dbraw/zinc/14/38/32/323143832.db2.gz WQLBHZBHEHVTAM-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000292969254 179255790 /nfs/dbraw/zinc/25/57/90/179255790.db2.gz KDGTYXHHOWGPRU-UHFFFAOYSA-N 2 2 229.327 2.743 20 0 BFADLP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000042545537 179256312 /nfs/dbraw/zinc/25/63/12/179256312.db2.gz ZOBOJPHPSBKWOC-SLTAFYQDSA-N 2 2 244.382 2.535 20 0 BFADLP Cc1ccccc1C1CC([NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000042545537 179256313 /nfs/dbraw/zinc/25/63/13/179256313.db2.gz ZOBOJPHPSBKWOC-SLTAFYQDSA-N 2 2 244.382 2.535 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000037157767 179338906 /nfs/dbraw/zinc/33/89/06/179338906.db2.gz IVWHSBZSKNKXCU-KGLIPLIRSA-N 2 2 243.354 2.931 20 0 BFADLP CCCCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000038033245 348032010 /nfs/dbraw/zinc/03/20/10/348032010.db2.gz UGTQBOYTYZOQTK-UHFFFAOYSA-N 2 2 220.360 2.638 20 0 BFADLP CCCCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000038033245 348032012 /nfs/dbraw/zinc/03/20/12/348032012.db2.gz UGTQBOYTYZOQTK-UHFFFAOYSA-N 2 2 220.360 2.638 20 0 BFADLP CC(C)C[C@@H]([NH2+]CC[NH+](C)C)c1ccccc1 ZINC000021956441 187385571 /nfs/dbraw/zinc/38/55/71/187385571.db2.gz MMJUZQHADBBUHR-OAHLLOKOSA-N 2 2 234.387 2.925 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H]3CC[C@H](F)C3)c[nH+]c12 ZINC000336493189 179354068 /nfs/dbraw/zinc/35/40/68/179354068.db2.gz IQNATFLDFBFSQN-RYUDHWBXSA-N 2 2 247.317 2.623 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H]3CC[C@@H](F)C3)c[nH+]c12 ZINC000336493187 179354111 /nfs/dbraw/zinc/35/41/11/179354111.db2.gz IQNATFLDFBFSQN-NEPJUHHUSA-N 2 2 247.317 2.623 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3CC[C@H]3C)c[nH+]c12 ZINC000336549013 179354792 /nfs/dbraw/zinc/35/47/92/179354792.db2.gz SATNZQOKWLCHGF-ZWNOBZJWSA-N 2 2 229.327 2.531 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000128850241 187395853 /nfs/dbraw/zinc/39/58/53/187395853.db2.gz LYUPSSPBLFABKU-HOCLYGCPSA-N 2 2 248.414 2.793 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H]1CCC1(C)C)CCC2 ZINC000336575600 179565787 /nfs/dbraw/zinc/56/57/87/179565787.db2.gz KFCUAVSUFGYHOK-OLZOCXBDSA-N 2 2 247.386 2.847 20 0 BFADLP CC[C@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C(C)C ZINC000037240778 323197056 /nfs/dbraw/zinc/19/70/56/323197056.db2.gz UZNNGJLDVBSDMU-KBPBESRZSA-N 2 2 228.424 2.987 20 0 BFADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000082857568 348850441 /nfs/dbraw/zinc/85/04/41/348850441.db2.gz QRKNMZSPZNFYGO-JHJVBQTASA-N 2 2 226.408 2.741 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000070683192 490232226 /nfs/dbraw/zinc/23/22/26/490232226.db2.gz WEKLAXFFFBILCY-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000070683192 490232230 /nfs/dbraw/zinc/23/22/30/490232230.db2.gz WEKLAXFFFBILCY-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)s1 ZINC000395224436 323221877 /nfs/dbraw/zinc/22/18/77/323221877.db2.gz UAEXKPBEUCZTHA-DGCLKSJQSA-N 2 2 238.400 2.677 20 0 BFADLP Cc1ccc(C[NH2+]CC2([NH3+])CCC2)c(Cl)c1 ZINC000655938313 490264593 /nfs/dbraw/zinc/26/45/93/490264593.db2.gz RNTFSUINBJSTNV-UHFFFAOYSA-N 2 2 238.762 2.619 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(Cl)s1 ZINC000070600275 350027247 /nfs/dbraw/zinc/02/72/47/350027247.db2.gz YWAZGUGDRCGURX-BDAKNGLRSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(Cl)s1 ZINC000070600275 350027252 /nfs/dbraw/zinc/02/72/52/350027252.db2.gz YWAZGUGDRCGURX-BDAKNGLRSA-N 2 2 244.791 2.713 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)CC1CC1)[NH+](C)C ZINC000131875228 191017513 /nfs/dbraw/zinc/01/75/13/191017513.db2.gz UEINIBAUSMZYGE-TZMCWYRMSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](CC(C)C)C(C)C ZINC000042593455 191066887 /nfs/dbraw/zinc/06/68/87/191066887.db2.gz CEHPEWRKDKEHIG-CYBMUJFWSA-N 2 2 214.397 2.726 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](CC(C)C)C(C)C ZINC000042593455 191066890 /nfs/dbraw/zinc/06/68/90/191066890.db2.gz CEHPEWRKDKEHIG-CYBMUJFWSA-N 2 2 214.397 2.726 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000346279525 180252443 /nfs/dbraw/zinc/25/24/43/180252443.db2.gz QUQIJECPUICXKE-ZDUSSCGKSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000346279525 180252445 /nfs/dbraw/zinc/25/24/45/180252445.db2.gz QUQIJECPUICXKE-ZDUSSCGKSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000360213649 180255643 /nfs/dbraw/zinc/25/56/43/180255643.db2.gz QIEKHYYCLKFBKP-QEJZJMRPSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000360213649 180255645 /nfs/dbraw/zinc/25/56/45/180255645.db2.gz QIEKHYYCLKFBKP-QEJZJMRPSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000336726989 180256198 /nfs/dbraw/zinc/25/61/98/180256198.db2.gz XWOLHWRRZUNVKT-AGIUHOORSA-N 2 2 235.375 2.558 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000336726989 180256200 /nfs/dbraw/zinc/25/62/00/180256200.db2.gz XWOLHWRRZUNVKT-AGIUHOORSA-N 2 2 235.375 2.558 20 0 BFADLP CC[C@@H](C)C[N@H+](CC)C[C@@H]([NH3+])CC(C)C ZINC000223400691 350275398 /nfs/dbraw/zinc/27/53/98/350275398.db2.gz LASYQKRXKRDKLV-OLZOCXBDSA-N 2 2 214.397 2.728 20 0 BFADLP CC[C@@H](C)C[N@@H+](CC)C[C@@H]([NH3+])CC(C)C ZINC000223400691 350275400 /nfs/dbraw/zinc/27/54/00/350275400.db2.gz LASYQKRXKRDKLV-OLZOCXBDSA-N 2 2 214.397 2.728 20 0 BFADLP C[C@H](CNc1cccc[nH+]1)C[NH+]1CCCCC1 ZINC000038042185 350302892 /nfs/dbraw/zinc/30/28/92/350302892.db2.gz JPUUJQOXOZRHQR-CYBMUJFWSA-N 2 2 233.359 2.616 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000068986621 350320590 /nfs/dbraw/zinc/32/05/90/350320590.db2.gz FZHPVJBPNQIJCB-CHWSQXEVSA-N 2 2 223.364 2.830 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427870891 191098460 /nfs/dbraw/zinc/09/84/60/191098460.db2.gz ZDQCZERBGCGQCM-MCIONIFRSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@H](C)C1 ZINC000427872461 191098844 /nfs/dbraw/zinc/09/88/44/191098844.db2.gz DASSKWDOHOOKKI-MQYQWHSLSA-N 2 2 247.386 2.612 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427873593 191098874 /nfs/dbraw/zinc/09/88/74/191098874.db2.gz OHQXJSCUNJMRGD-OLZOCXBDSA-N 2 2 235.375 2.756 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000328202611 350392443 /nfs/dbraw/zinc/39/24/43/350392443.db2.gz SJAAWGVCMIBNBA-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000328202611 350392445 /nfs/dbraw/zinc/39/24/45/350392445.db2.gz SJAAWGVCMIBNBA-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC(CC)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000069794269 350401508 /nfs/dbraw/zinc/40/15/08/350401508.db2.gz VYJCKKBTGUSVPP-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CCC(CC)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000069794269 350401513 /nfs/dbraw/zinc/40/15/13/350401513.db2.gz VYJCKKBTGUSVPP-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[NH+](CC)CC)C1 ZINC000070562191 350536395 /nfs/dbraw/zinc/53/63/95/350536395.db2.gz VLMUAUARXCRJEY-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000070558523 350538066 /nfs/dbraw/zinc/53/80/66/350538066.db2.gz NLRHRLBVMCTFBY-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000070558523 350538071 /nfs/dbraw/zinc/53/80/71/350538071.db2.gz NLRHRLBVMCTFBY-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337517621 350593312 /nfs/dbraw/zinc/59/33/12/350593312.db2.gz MWGZFXHAIYEQHG-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000337517621 350593315 /nfs/dbraw/zinc/59/33/15/350593315.db2.gz MWGZFXHAIYEQHG-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1(C)CC1 ZINC000156637270 191116249 /nfs/dbraw/zinc/11/62/49/191116249.db2.gz CBMQZVONYOIKSN-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1(C)CC1 ZINC000156637270 191116251 /nfs/dbraw/zinc/11/62/51/191116251.db2.gz CBMQZVONYOIKSN-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC000177347527 365995448 /nfs/dbraw/zinc/99/54/48/365995448.db2.gz SSTQYFCNVBLQCR-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC000177347527 365995453 /nfs/dbraw/zinc/99/54/53/365995453.db2.gz SSTQYFCNVBLQCR-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C ZINC000177347527 365995459 /nfs/dbraw/zinc/99/54/59/365995459.db2.gz SSTQYFCNVBLQCR-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC000177347527 365995466 /nfs/dbraw/zinc/99/54/66/365995466.db2.gz SSTQYFCNVBLQCR-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628312551 350814551 /nfs/dbraw/zinc/81/45/51/350814551.db2.gz GJMYUPHGKKGVRM-HOCLYGCPSA-N 2 2 246.398 2.782 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccc(C)cc2)C1 ZINC000628312551 350814555 /nfs/dbraw/zinc/81/45/55/350814555.db2.gz GJMYUPHGKKGVRM-HOCLYGCPSA-N 2 2 246.398 2.782 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000252713834 538099649 /nfs/dbraw/zinc/09/96/49/538099649.db2.gz QHIAHHXEFOQQEQ-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000252713834 538099652 /nfs/dbraw/zinc/09/96/52/538099652.db2.gz QHIAHHXEFOQQEQ-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)C[NH2+]CC1CC[NH+](CC(F)F)CC1 ZINC000623089204 350850478 /nfs/dbraw/zinc/85/04/78/350850478.db2.gz ZOTQDAVGZUBGMO-UHFFFAOYSA-N 2 2 248.361 2.599 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCC(C)C ZINC000019919647 350852680 /nfs/dbraw/zinc/85/26/80/350852680.db2.gz VXCNYNJJIADKOL-ZDUSSCGKSA-N 2 2 214.397 2.743 20 0 BFADLP Cc1cccc(C[NH2+]CC[N@H+]2CC[C@H](C)C2)c1C ZINC000525800690 259417127 /nfs/dbraw/zinc/41/71/27/259417127.db2.gz KJFJWHVMOUTKDT-ZDUSSCGKSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1cccc(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1C ZINC000525800690 259417128 /nfs/dbraw/zinc/41/71/28/259417128.db2.gz KJFJWHVMOUTKDT-ZDUSSCGKSA-N 2 2 246.398 2.735 20 0 BFADLP C/C=C\C[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000623739206 350884467 /nfs/dbraw/zinc/88/44/67/350884467.db2.gz MNFJYNXXZPKPGC-RAQZUPNJSA-N 2 2 244.382 2.988 20 0 BFADLP C/C=C\C[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000623739206 350884468 /nfs/dbraw/zinc/88/44/68/350884468.db2.gz MNFJYNXXZPKPGC-RAQZUPNJSA-N 2 2 244.382 2.988 20 0 BFADLP C/C=C/C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000623739205 350884479 /nfs/dbraw/zinc/88/44/79/350884479.db2.gz MNFJYNXXZPKPGC-AIROSISHSA-N 2 2 244.382 2.988 20 0 BFADLP C/C=C/C[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000623739205 350884481 /nfs/dbraw/zinc/88/44/81/350884481.db2.gz MNFJYNXXZPKPGC-AIROSISHSA-N 2 2 244.382 2.988 20 0 BFADLP CC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034973325 351371438 /nfs/dbraw/zinc/37/14/38/351371438.db2.gz ONHTUKNUYHHZES-HIFRSBDPSA-N 2 2 232.371 2.649 20 0 BFADLP CC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034973325 351371444 /nfs/dbraw/zinc/37/14/44/351371444.db2.gz ONHTUKNUYHHZES-HIFRSBDPSA-N 2 2 232.371 2.649 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC(C)(C)C[C@H]1C)[NH+](C)C ZINC000088131639 351625523 /nfs/dbraw/zinc/62/55/23/351625523.db2.gz PAXWFXWAMPLRKW-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]Cc1cccc2[nH+]ccn21 ZINC000290064111 352209117 /nfs/dbraw/zinc/20/91/17/352209117.db2.gz HOEZUNCMMXPSRL-LBPRGKRZSA-N 2 2 229.327 2.613 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353599275 352500410 /nfs/dbraw/zinc/50/04/10/352500410.db2.gz WSDDAIDXPMUIHB-UPJWGTAASA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353599275 352500413 /nfs/dbraw/zinc/50/04/13/352500413.db2.gz WSDDAIDXPMUIHB-UPJWGTAASA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353599273 352500429 /nfs/dbraw/zinc/50/04/29/352500429.db2.gz WSDDAIDXPMUIHB-JHJVBQTASA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353599273 352500432 /nfs/dbraw/zinc/50/04/32/352500432.db2.gz WSDDAIDXPMUIHB-JHJVBQTASA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(Cl)c1 ZINC000043324598 352636378 /nfs/dbraw/zinc/63/63/78/352636378.db2.gz OPIXWDLHEZGHHE-MFKMUULPSA-N 2 2 238.762 2.743 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]Cc1ccccc1 ZINC000037166915 187805250 /nfs/dbraw/zinc/80/52/50/187805250.db2.gz FPRHZBXMPVOGET-HNNXBMFYSA-N 2 2 234.387 2.753 20 0 BFADLP CCc1cc(N[C@H](CC)c2[nH]cc[nH+]2)nc(C)[nH+]1 ZINC000139801181 538106518 /nfs/dbraw/zinc/10/65/18/538106518.db2.gz RENSPJWBLNCJLK-LLVKDONJSA-N 2 2 245.330 2.634 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+]CC1CCCCC1 ZINC000042222108 538106221 /nfs/dbraw/zinc/10/62/21/538106221.db2.gz YLVSZGVCILCKEZ-UHFFFAOYSA-N 2 2 224.392 2.642 20 0 BFADLP CC(C)C1(C[NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000638873992 353044668 /nfs/dbraw/zinc/04/46/68/353044668.db2.gz OOOSSUNXFXLVDA-UHFFFAOYSA-N 2 2 247.386 2.909 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCC[C@@H]3F)n2c1 ZINC000334414189 353096581 /nfs/dbraw/zinc/09/65/81/353096581.db2.gz MGCQVNISYXGTHO-QWHCGFSZSA-N 2 2 247.317 2.623 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cscn1 ZINC000127824161 188155383 /nfs/dbraw/zinc/15/53/83/188155383.db2.gz DWVMUTVPOYFIGU-NSHDSACASA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cscn1 ZINC000127824161 188155386 /nfs/dbraw/zinc/15/53/86/188155386.db2.gz DWVMUTVPOYFIGU-NSHDSACASA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cncs1 ZINC000166563087 188161649 /nfs/dbraw/zinc/16/16/49/188161649.db2.gz ZTFHFUKQNZIAAU-LLVKDONJSA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cncs1 ZINC000166563087 188161651 /nfs/dbraw/zinc/16/16/51/188161651.db2.gz ZTFHFUKQNZIAAU-LLVKDONJSA-N 2 2 241.404 2.524 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000309165846 188167575 /nfs/dbraw/zinc/16/75/75/188167575.db2.gz IXHRQAYLFBLLNE-RWMBFGLXSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000309165846 188167576 /nfs/dbraw/zinc/16/75/76/188167576.db2.gz IXHRQAYLFBLLNE-RWMBFGLXSA-N 2 2 212.381 2.637 20 0 BFADLP Cc1ccc(CCC[NH2+]CCC(F)(F)F)c[nH+]1 ZINC000354496164 188176863 /nfs/dbraw/zinc/17/68/63/188176863.db2.gz HCJDXAWCFYPLQX-UHFFFAOYSA-N 2 2 246.276 2.865 20 0 BFADLP FCCCCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000341893728 180921341 /nfs/dbraw/zinc/92/13/41/180921341.db2.gz SKYUHIOGNUJBSO-UHFFFAOYSA-N 2 2 239.338 2.729 20 0 BFADLP CCCN(CC[NH+]1CCCC1)c1cc(C)cc[nH+]1 ZINC000343289254 353368749 /nfs/dbraw/zinc/36/87/49/353368749.db2.gz PNVWQRWMRFVDJT-UHFFFAOYSA-N 2 2 247.386 2.702 20 0 BFADLP CC1(C)CC[C@@H]([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000133136830 353399116 /nfs/dbraw/zinc/39/91/16/353399116.db2.gz SHKYDUFXIURSFZ-ZIAGYGMSSA-N 2 2 232.371 2.855 20 0 BFADLP Cc1ccc(CC[NH2+]CC2([NH+](C)C)CCC2)cc1 ZINC000639086000 353434324 /nfs/dbraw/zinc/43/43/24/353434324.db2.gz MKSKFKYUESUICR-UHFFFAOYSA-N 2 2 246.398 2.611 20 0 BFADLP CC/C=C/CC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000184502650 535232360 /nfs/dbraw/zinc/23/23/60/535232360.db2.gz AOLUMRJULJIDNB-BWPKMQGJSA-N 2 2 236.403 2.903 20 0 BFADLP CC/C=C/CC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000184502650 535232365 /nfs/dbraw/zinc/23/23/65/535232365.db2.gz AOLUMRJULJIDNB-BWPKMQGJSA-N 2 2 236.403 2.903 20 0 BFADLP CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000077412172 353589925 /nfs/dbraw/zinc/58/99/25/353589925.db2.gz PWWRYAHEZMQVPD-YPMHNXCESA-N 2 2 221.348 2.858 20 0 BFADLP C([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639105043 353592333 /nfs/dbraw/zinc/59/23/33/353592333.db2.gz HXEWNWOFBJQMIH-FQLMCAECSA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639105043 353592336 /nfs/dbraw/zinc/59/23/36/353592336.db2.gz HXEWNWOFBJQMIH-FQLMCAECSA-N 2 2 248.414 2.639 20 0 BFADLP c1cn(CCC[N@@H+]2CC[C@H]2c2ccccc2)c[nH+]1 ZINC000343313466 353629549 /nfs/dbraw/zinc/62/95/49/353629549.db2.gz IKNDKWUUJKIBQH-HNNXBMFYSA-N 2 2 241.338 2.720 20 0 BFADLP c1cn(CCC[N@H+]2CC[C@H]2c2ccccc2)c[nH+]1 ZINC000343313466 353629552 /nfs/dbraw/zinc/62/95/52/353629552.db2.gz IKNDKWUUJKIBQH-HNNXBMFYSA-N 2 2 241.338 2.720 20 0 BFADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000020189101 188462580 /nfs/dbraw/zinc/46/25/80/188462580.db2.gz PFTPPHTUBSTOQJ-ZDUSSCGKSA-N 2 2 247.386 2.605 20 0 BFADLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]Cc1cccs1 ZINC000232878765 353771950 /nfs/dbraw/zinc/77/19/50/353771950.db2.gz KIOMRRGIEIEGTE-GFCCVEGCSA-N 2 2 238.400 2.616 20 0 BFADLP c1cn2c([nH+]1)[C@@H](Nc1cc(C3CC3)cc[nH+]1)CC2 ZINC000334524836 353896867 /nfs/dbraw/zinc/89/68/67/353896867.db2.gz FUWJECRWZMFVQN-LBPRGKRZSA-N 2 2 240.310 2.712 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000343585500 353940500 /nfs/dbraw/zinc/94/05/00/353940500.db2.gz XYMCYHZNRNNJMM-CHWSQXEVSA-N 2 2 221.348 2.536 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000343585500 353940502 /nfs/dbraw/zinc/94/05/02/353940502.db2.gz XYMCYHZNRNNJMM-CHWSQXEVSA-N 2 2 221.348 2.536 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)C[N@@H+]1C1CC1 ZINC000334540950 353974769 /nfs/dbraw/zinc/97/47/69/353974769.db2.gz NYVWPASYUGZSSC-VXGBXAGGSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CC3(CCC3)C2)C[N@H+]1C1CC1 ZINC000334540950 353974771 /nfs/dbraw/zinc/97/47/71/353974771.db2.gz NYVWPASYUGZSSC-VXGBXAGGSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]1c2ccccc2C[N@@H+]1CCc1c[nH+]cn1C ZINC000334557535 354004219 /nfs/dbraw/zinc/00/42/19/354004219.db2.gz CZJXXNJNFVGCQO-LBPRGKRZSA-N 2 2 241.338 2.539 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)cc1 ZINC000344324383 354247430 /nfs/dbraw/zinc/24/74/30/354247430.db2.gz KWCLXQHKVDQKGI-DZGCQCFKSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000344324383 354247431 /nfs/dbraw/zinc/24/74/31/354247431.db2.gz KWCLXQHKVDQKGI-DZGCQCFKSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1C ZINC000344311173 354219671 /nfs/dbraw/zinc/21/96/71/354219671.db2.gz WQJQXWUFWXLPEK-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1C ZINC000344311173 354219674 /nfs/dbraw/zinc/21/96/74/354219674.db2.gz WQJQXWUFWXLPEK-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344329601 354225828 /nfs/dbraw/zinc/22/58/28/354225828.db2.gz MWXFVARJOMGSQY-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344329601 354225830 /nfs/dbraw/zinc/22/58/30/354225830.db2.gz MWXFVARJOMGSQY-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344329605 354226554 /nfs/dbraw/zinc/22/65/54/354226554.db2.gz MWXFVARJOMGSQY-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344329605 354226557 /nfs/dbraw/zinc/22/65/57/354226557.db2.gz MWXFVARJOMGSQY-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c(C)c1 ZINC000344337727 354232808 /nfs/dbraw/zinc/23/28/08/354232808.db2.gz VSELHBKCZYXYCV-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c(C)c1 ZINC000344337727 354232810 /nfs/dbraw/zinc/23/28/10/354232810.db2.gz VSELHBKCZYXYCV-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP CCn1c[nH+]cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000334598076 354232818 /nfs/dbraw/zinc/23/28/18/354232818.db2.gz UPDOALJTTYBOBQ-OCCSQVGLSA-N 2 2 233.359 2.668 20 0 BFADLP CC1CCC(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000344338250 354234254 /nfs/dbraw/zinc/23/42/54/354234254.db2.gz WNFADDPYJZORFH-HXSCFSKGSA-N 2 2 238.419 2.885 20 0 BFADLP CC1CCC(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)CC1 ZINC000344338250 354234256 /nfs/dbraw/zinc/23/42/56/354234256.db2.gz WNFADDPYJZORFH-HXSCFSKGSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+]CC1CCCCC1)Cn1cc[nH+]c1 ZINC000178895256 366177162 /nfs/dbraw/zinc/17/71/62/366177162.db2.gz OIJHZZWAMHWEMD-CYBMUJFWSA-N 2 2 235.375 2.689 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623634681 366200142 /nfs/dbraw/zinc/20/01/42/366200142.db2.gz RPMDWOWTQCQQQX-RBSFLKMASA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623634681 366200149 /nfs/dbraw/zinc/20/01/49/366200149.db2.gz RPMDWOWTQCQQQX-RBSFLKMASA-N 2 2 236.403 2.663 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CCCCCC1)C2 ZINC000334648241 354439542 /nfs/dbraw/zinc/43/95/42/354439542.db2.gz SIMHHHPYBKEONR-LBPRGKRZSA-N 2 2 233.359 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C1CCCCCC1)CC2 ZINC000334648241 354439545 /nfs/dbraw/zinc/43/95/45/354439545.db2.gz SIMHHHPYBKEONR-LBPRGKRZSA-N 2 2 233.359 2.579 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000623634449 366194416 /nfs/dbraw/zinc/19/44/16/366194416.db2.gz CUGBGPPSJBUVMD-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000623634449 366194421 /nfs/dbraw/zinc/19/44/21/366194421.db2.gz CUGBGPPSJBUVMD-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@@H]3C)n2c1 ZINC000334733943 354534460 /nfs/dbraw/zinc/53/44/60/354534460.db2.gz HOYIWXQHICKVOJ-AAEUAGOBSA-N 2 2 229.327 2.531 20 0 BFADLP CC(C)CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345738818 354748844 /nfs/dbraw/zinc/74/88/44/354748844.db2.gz PYOTZVXGAGTGIT-UHFFFAOYSA-N 2 2 221.348 2.635 20 0 BFADLP CC(C)CC[NH+](CCC(C)C)C[C@H](C)[NH3+] ZINC000232549936 363375743 /nfs/dbraw/zinc/37/57/43/363375743.db2.gz JMIBNUNCMGFJEF-ZDUSSCGKSA-N 2 2 214.397 2.728 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000335135654 354784936 /nfs/dbraw/zinc/78/49/36/354784936.db2.gz GZKMHWLWOUOCRQ-GFCCVEGCSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000335135654 354784938 /nfs/dbraw/zinc/78/49/38/354784938.db2.gz GZKMHWLWOUOCRQ-GFCCVEGCSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000346306638 354890830 /nfs/dbraw/zinc/89/08/30/354890830.db2.gz JRXBOGFSBBPSJP-AWEZNQCLSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000346306638 354890834 /nfs/dbraw/zinc/89/08/34/354890834.db2.gz JRXBOGFSBBPSJP-AWEZNQCLSA-N 2 2 235.375 2.560 20 0 BFADLP CC[C@]1(C)CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000346334958 354898937 /nfs/dbraw/zinc/89/89/37/354898937.db2.gz XOHHXLCQNQQSRR-CQSZACIVSA-N 2 2 235.375 2.704 20 0 BFADLP CC[C@]1(C)CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000346334958 354898939 /nfs/dbraw/zinc/89/89/39/354898939.db2.gz XOHHXLCQNQQSRR-CQSZACIVSA-N 2 2 235.375 2.704 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000346449178 354944368 /nfs/dbraw/zinc/94/43/68/354944368.db2.gz UQXHCAXHDDEIGA-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC000346449178 354944370 /nfs/dbraw/zinc/94/43/70/354944370.db2.gz UQXHCAXHDDEIGA-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000346616173 354994167 /nfs/dbraw/zinc/99/41/67/354994167.db2.gz ORPREYXPQKRYOH-ZOWXZIJZSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000346616173 354994171 /nfs/dbraw/zinc/99/41/71/354994171.db2.gz ORPREYXPQKRYOH-ZOWXZIJZSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)[C@H]1C ZINC000346800482 355108630 /nfs/dbraw/zinc/10/86/30/355108630.db2.gz REUMNXYRQJAWNF-CAEXGNQWSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)[C@H]1C ZINC000346800482 355108631 /nfs/dbraw/zinc/10/86/31/355108631.db2.gz REUMNXYRQJAWNF-CAEXGNQWSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000346819741 355123666 /nfs/dbraw/zinc/12/36/66/355123666.db2.gz DZXCSEMQAFRMMR-ZDUSSCGKSA-N 2 2 224.392 2.768 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000346819741 355123668 /nfs/dbraw/zinc/12/36/68/355123668.db2.gz DZXCSEMQAFRMMR-ZDUSSCGKSA-N 2 2 224.392 2.768 20 0 BFADLP CC[N@H+](Cc1ccccc1Cl)CC(C)(C)[NH3+] ZINC000346840721 355133455 /nfs/dbraw/zinc/13/34/55/355133455.db2.gz GGYIDBCBDIYIRJ-UHFFFAOYSA-N 2 2 240.778 2.899 20 0 BFADLP CC[N@@H+](Cc1ccccc1Cl)CC(C)(C)[NH3+] ZINC000346840721 355133457 /nfs/dbraw/zinc/13/34/57/355133457.db2.gz GGYIDBCBDIYIRJ-UHFFFAOYSA-N 2 2 240.778 2.899 20 0 BFADLP CC(C)([NH3+])C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000346853897 355138653 /nfs/dbraw/zinc/13/86/53/355138653.db2.gz YAFLTTDHGAVXEP-UHFFFAOYSA-N 2 2 236.334 2.527 20 0 BFADLP CC(C)([NH3+])C[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000346853897 355138657 /nfs/dbraw/zinc/13/86/57/355138657.db2.gz YAFLTTDHGAVXEP-UHFFFAOYSA-N 2 2 236.334 2.527 20 0 BFADLP C[N@H+](Cc1ccc(Cl)c(F)c1)CC(C)(C)[NH3+] ZINC000346995409 355193790 /nfs/dbraw/zinc/19/37/90/355193790.db2.gz VVQWYMRHLVURQV-UHFFFAOYSA-N 2 2 244.741 2.648 20 0 BFADLP C[N@@H+](Cc1ccc(Cl)c(F)c1)CC(C)(C)[NH3+] ZINC000346995409 355193792 /nfs/dbraw/zinc/19/37/92/355193792.db2.gz VVQWYMRHLVURQV-UHFFFAOYSA-N 2 2 244.741 2.648 20 0 BFADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1C[C@H]1C ZINC000414116134 191448734 /nfs/dbraw/zinc/44/87/34/191448734.db2.gz QGAIJLKVZSMXIC-UPJWGTAASA-N 2 2 233.359 2.518 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000166443385 355461940 /nfs/dbraw/zinc/46/19/40/355461940.db2.gz ZIJSJGQRSPKMPA-CQSZACIVSA-N 2 2 224.392 2.807 20 0 BFADLP CCc1cc[nH+]cc1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639297097 355601112 /nfs/dbraw/zinc/60/11/12/355601112.db2.gz ZDRIEACORMSXDF-DGCLKSJQSA-N 2 2 233.359 2.539 20 0 BFADLP CCc1cc[nH+]cc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639297097 355601117 /nfs/dbraw/zinc/60/11/17/355601117.db2.gz ZDRIEACORMSXDF-DGCLKSJQSA-N 2 2 233.359 2.539 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000389126923 355710703 /nfs/dbraw/zinc/71/07/03/355710703.db2.gz DGWOMCARDRJMBY-GDBMZVCRSA-N 2 2 244.382 2.666 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(C)cc32)C1 ZINC000389126923 355710705 /nfs/dbraw/zinc/71/07/05/355710705.db2.gz DGWOMCARDRJMBY-GDBMZVCRSA-N 2 2 244.382 2.666 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353247791 355757033 /nfs/dbraw/zinc/75/70/33/355757033.db2.gz KOABMYWTGOPZMJ-JHJVBQTASA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000353247791 355757034 /nfs/dbraw/zinc/75/70/34/355757034.db2.gz KOABMYWTGOPZMJ-JHJVBQTASA-N 2 2 247.386 2.825 20 0 BFADLP CC1(F)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000639389095 356010369 /nfs/dbraw/zinc/01/03/69/356010369.db2.gz PUUXOQLMPFXPCO-UHFFFAOYSA-N 2 2 247.317 2.658 20 0 BFADLP CC1(C)C[NH+](Cc2cc(-n3cc[nH+]c3)cs2)C1 ZINC000639393821 356074203 /nfs/dbraw/zinc/07/42/03/356074203.db2.gz UBDPUCYUKXGYSE-UHFFFAOYSA-N 2 2 247.367 2.776 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000192391208 356183482 /nfs/dbraw/zinc/18/34/82/356183482.db2.gz LYGSLPKUHSCTQQ-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000192391208 356183484 /nfs/dbraw/zinc/18/34/84/356183484.db2.gz LYGSLPKUHSCTQQ-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](CCC[NH3+])Nc1[nH+]ccc2ccc(F)cc21 ZINC000420258272 192188982 /nfs/dbraw/zinc/18/89/82/192188982.db2.gz FXZNRBOEFCAVKX-JTQLQIEISA-N 2 2 247.317 2.913 20 0 BFADLP CCC1CCC([N@H+](C[C@@H](C)[NH3+])C2CC2)CC1 ZINC000420301666 192206829 /nfs/dbraw/zinc/20/68/29/192206829.db2.gz ISNTVEMMPGRHEH-PNESKVBLSA-N 2 2 224.392 2.767 20 0 BFADLP CCC1CCC([N@@H+](C[C@@H](C)[NH3+])C2CC2)CC1 ZINC000420301666 192206831 /nfs/dbraw/zinc/20/68/31/192206831.db2.gz ISNTVEMMPGRHEH-PNESKVBLSA-N 2 2 224.392 2.767 20 0 BFADLP c1ccc([N@H+](CC[C@@H]2CC[NH2+]C2)CC2CC2)cc1 ZINC000420301063 192207302 /nfs/dbraw/zinc/20/73/02/192207302.db2.gz KZUSBONYNKPTPV-AWEZNQCLSA-N 2 2 244.382 2.903 20 0 BFADLP c1ccc([N@@H+](CC[C@@H]2CC[NH2+]C2)CC2CC2)cc1 ZINC000420301063 192207305 /nfs/dbraw/zinc/20/73/05/192207305.db2.gz KZUSBONYNKPTPV-AWEZNQCLSA-N 2 2 244.382 2.903 20 0 BFADLP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420351325 192218511 /nfs/dbraw/zinc/21/85/11/192218511.db2.gz JUOCJLRJSRTZJH-KWBADKCTSA-N 2 2 238.762 2.823 20 0 BFADLP C[C@@H](c1ccccc1Cl)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000420351325 192218512 /nfs/dbraw/zinc/21/85/12/192218512.db2.gz JUOCJLRJSRTZJH-KWBADKCTSA-N 2 2 238.762 2.823 20 0 BFADLP CC(C)C[C@@H]1CCCCC[N@@H+]1C[C@H](C)[NH3+] ZINC000420309421 192210483 /nfs/dbraw/zinc/21/04/83/192210483.db2.gz TVSBLTBLTWKOSP-STQMWFEESA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@@H]1CCCCC[N@H+]1C[C@H](C)[NH3+] ZINC000420309421 192210485 /nfs/dbraw/zinc/21/04/85/192210485.db2.gz TVSBLTBLTWKOSP-STQMWFEESA-N 2 2 212.381 2.624 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)c1 ZINC000420355676 192219605 /nfs/dbraw/zinc/21/96/05/192219605.db2.gz CEZYWWZQCMQPOS-IIAWOOMASA-N 2 2 246.398 2.780 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000352810968 356418513 /nfs/dbraw/zinc/41/85/13/356418513.db2.gz QSVNCWRPDQSYQA-MYZSUADSSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000352810968 356418516 /nfs/dbraw/zinc/41/85/16/356418516.db2.gz QSVNCWRPDQSYQA-MYZSUADSSA-N 2 2 236.403 2.637 20 0 BFADLP CCc1cc(NCc2cc(C)[nH+]c(C)c2)cc[nH+]1 ZINC000420655034 192255184 /nfs/dbraw/zinc/25/51/84/192255184.db2.gz QSKRJXCLISYPLF-UHFFFAOYSA-N 2 2 241.338 2.690 20 0 BFADLP C[C@@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422979971 192516362 /nfs/dbraw/zinc/51/63/62/192516362.db2.gz OCTTYCOXGJHZLL-GZSUAUOCSA-N 2 2 244.382 2.820 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179878346 535325305 /nfs/dbraw/zinc/32/53/05/535325305.db2.gz SHAGSDMWBNGULP-HUUCEWRRSA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179878346 535325310 /nfs/dbraw/zinc/32/53/10/535325310.db2.gz SHAGSDMWBNGULP-HUUCEWRRSA-N 2 2 238.419 2.983 20 0 BFADLP c1ccc([C@H](CC2CCC2)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423045013 192552062 /nfs/dbraw/zinc/55/20/62/192552062.db2.gz RWLAIBVVFBWIRC-HOTGVXAUSA-N 2 2 244.382 2.869 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CC[N@H+](CC)C1 ZINC000389506713 356694376 /nfs/dbraw/zinc/69/43/76/356694376.db2.gz DFYVCAIDHNCEKJ-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CC[N@@H+](CC)C1 ZINC000389506713 356694382 /nfs/dbraw/zinc/69/43/82/356694382.db2.gz DFYVCAIDHNCEKJ-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C(C)(F)F ZINC000389467056 356682482 /nfs/dbraw/zinc/68/24/82/356682482.db2.gz LWWCNSVYKQFOLO-WOPDTQHZSA-N 2 2 248.361 2.931 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)C[C@H]1C ZINC000450428082 202162644 /nfs/dbraw/zinc/16/26/44/202162644.db2.gz GUJXCPFCLFTFRS-RBSFLKMASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)C[C@H]1C ZINC000450428082 202162645 /nfs/dbraw/zinc/16/26/45/202162645.db2.gz GUJXCPFCLFTFRS-RBSFLKMASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000450428082 202162649 /nfs/dbraw/zinc/16/26/49/202162649.db2.gz GUJXCPFCLFTFRS-RBSFLKMASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000450428082 202162652 /nfs/dbraw/zinc/16/26/52/202162652.db2.gz GUJXCPFCLFTFRS-RBSFLKMASA-N 2 2 238.419 2.980 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353596751 356714577 /nfs/dbraw/zinc/71/45/77/356714577.db2.gz OMFQXEDCGDYCOF-VXGBXAGGSA-N 2 2 235.375 2.825 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353596751 356714581 /nfs/dbraw/zinc/71/45/81/356714581.db2.gz OMFQXEDCGDYCOF-VXGBXAGGSA-N 2 2 235.375 2.825 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353596749 356714672 /nfs/dbraw/zinc/71/46/72/356714672.db2.gz OMFQXEDCGDYCOF-NWDGAFQWSA-N 2 2 235.375 2.825 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353596749 356714674 /nfs/dbraw/zinc/71/46/74/356714674.db2.gz OMFQXEDCGDYCOF-NWDGAFQWSA-N 2 2 235.375 2.825 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)[C@H]1C ZINC000450467477 202174799 /nfs/dbraw/zinc/17/47/99/202174799.db2.gz LCWRTGIEDJZMJI-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)[C@H]1C ZINC000450467477 202174801 /nfs/dbraw/zinc/17/48/01/202174801.db2.gz LCWRTGIEDJZMJI-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000450467477 202174803 /nfs/dbraw/zinc/17/48/03/202174803.db2.gz LCWRTGIEDJZMJI-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000450467477 202174806 /nfs/dbraw/zinc/17/48/06/202174806.db2.gz LCWRTGIEDJZMJI-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000389574145 356993919 /nfs/dbraw/zinc/99/39/19/356993919.db2.gz WUTUGZOTCFJBQK-YMAMQOFZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000389574145 356993925 /nfs/dbraw/zinc/99/39/25/356993925.db2.gz WUTUGZOTCFJBQK-YMAMQOFZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000020055088 356996949 /nfs/dbraw/zinc/99/69/49/356996949.db2.gz UHHYTOGAMWJWPP-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362914207 356950464 /nfs/dbraw/zinc/95/04/64/356950464.db2.gz RXHAJXALGJUTFP-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000362914207 356950468 /nfs/dbraw/zinc/95/04/68/356950468.db2.gz RXHAJXALGJUTFP-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000020126800 356997554 /nfs/dbraw/zinc/99/75/54/356997554.db2.gz PDOLCBLKVKCERQ-OAHLLOKOSA-N 2 2 246.398 2.693 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000020126799 356997626 /nfs/dbraw/zinc/99/76/26/356997626.db2.gz PDOLCBLKVKCERQ-HNNXBMFYSA-N 2 2 246.398 2.693 20 0 BFADLP Cc1cccc(CCNc2cc[nH+]cc2Cl)[nH+]1 ZINC000355688116 538798744 /nfs/dbraw/zinc/79/87/44/538798744.db2.gz ZKYZSNUUGNCHPN-UHFFFAOYSA-N 2 2 247.729 2.515 20 0 BFADLP CC1(C)CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000375270579 357175296 /nfs/dbraw/zinc/17/52/96/357175296.db2.gz VWQQPUFWKFFHOZ-GFCCVEGCSA-N 2 2 247.386 2.888 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000389552690 538822882 /nfs/dbraw/zinc/82/28/82/538822882.db2.gz PQTMBNIVJZTJQB-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000389552690 538822888 /nfs/dbraw/zinc/82/28/88/538822888.db2.gz PQTMBNIVJZTJQB-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000582914374 357435185 /nfs/dbraw/zinc/43/51/85/357435185.db2.gz AAONLCIPSSWOPD-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000582914374 357435191 /nfs/dbraw/zinc/43/51/91/357435191.db2.gz AAONLCIPSSWOPD-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccoc1 ZINC000582958519 357437998 /nfs/dbraw/zinc/43/79/98/357437998.db2.gz RPVZKKGGUWLOED-RISCZKNCSA-N 2 2 236.359 2.838 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C1CC1 ZINC000230394453 357532934 /nfs/dbraw/zinc/53/29/34/357532934.db2.gz JPLUZJBQXBYOFV-VNHYZAJKSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C1CC1 ZINC000230394453 357532939 /nfs/dbraw/zinc/53/29/39/357532939.db2.gz JPLUZJBQXBYOFV-VNHYZAJKSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000230394591 357533120 /nfs/dbraw/zinc/53/31/20/357533120.db2.gz UABLXLRQWPSIGD-COMQUAJESA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000230394591 357533125 /nfs/dbraw/zinc/53/31/25/357533125.db2.gz UABLXLRQWPSIGD-COMQUAJESA-N 2 2 238.419 2.883 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C1(C(C)C)CC1 ZINC000397547501 357590145 /nfs/dbraw/zinc/59/01/45/357590145.db2.gz VXHXUENIQZONIQ-UHFFFAOYSA-N 2 2 218.344 2.711 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1CCC12CCCC2 ZINC000189054775 357602107 /nfs/dbraw/zinc/60/21/07/357602107.db2.gz AZQVCOJFMZMLRB-CQSZACIVSA-N 2 2 236.403 2.785 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC12CCCC2)[N@H+](C)C1CC1 ZINC000189113919 357614860 /nfs/dbraw/zinc/61/48/60/357614860.db2.gz DRGGZMHQQAZERE-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC12CCCC2)[N@@H+](C)C1CC1 ZINC000189113919 357614861 /nfs/dbraw/zinc/61/48/61/357614861.db2.gz DRGGZMHQQAZERE-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000233429795 357723931 /nfs/dbraw/zinc/72/39/31/357723931.db2.gz XBFZHCMVBVDUDA-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000235108608 357845726 /nfs/dbraw/zinc/84/57/26/357845726.db2.gz BKFCHWMNOXGUGZ-FPMFFAJLSA-N 2 2 224.392 2.519 20 0 BFADLP CC1(C)C[N@H+](CCn2cc[nH+]c2)[C@H]1c1ccco1 ZINC000639929218 357905544 /nfs/dbraw/zinc/90/55/44/357905544.db2.gz MFECIOWZEFJLPD-ZDUSSCGKSA-N 2 2 245.326 2.559 20 0 BFADLP CC1(C)C[N@@H+](CCn2cc[nH+]c2)[C@H]1c1ccco1 ZINC000639929218 357905547 /nfs/dbraw/zinc/90/55/47/357905547.db2.gz MFECIOWZEFJLPD-ZDUSSCGKSA-N 2 2 245.326 2.559 20 0 BFADLP C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000044561953 358391012 /nfs/dbraw/zinc/39/10/12/358391012.db2.gz IYADBLZVDWHJDV-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000044561953 358391014 /nfs/dbraw/zinc/39/10/14/358391014.db2.gz IYADBLZVDWHJDV-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP CCC[C@H](C)C[NH2+]CCCCn1cc[nH+]c1 ZINC000045105622 358400405 /nfs/dbraw/zinc/40/04/05/358400405.db2.gz SHXQKQGHOIFCKB-ZDUSSCGKSA-N 2 2 223.364 2.689 20 0 BFADLP c1csc([C@@H]([NH2+]CCn2cc[nH+]c2)C2CC2)c1 ZINC000042331677 358521653 /nfs/dbraw/zinc/52/16/53/358521653.db2.gz KIFGFDQJYPJJPQ-ZDUSSCGKSA-N 2 2 247.367 2.686 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044684146 358551246 /nfs/dbraw/zinc/55/12/46/358551246.db2.gz HLJOPRLJNYCZNB-HOCLYGCPSA-N 2 2 244.382 2.964 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044684146 358551248 /nfs/dbraw/zinc/55/12/48/358551248.db2.gz HLJOPRLJNYCZNB-HOCLYGCPSA-N 2 2 244.382 2.964 20 0 BFADLP CCCC(CCC)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044685028 358551899 /nfs/dbraw/zinc/55/18/99/358551899.db2.gz GPZYARVMTGDWOL-CYBMUJFWSA-N 2 2 224.392 2.782 20 0 BFADLP CCCC(CCC)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044685028 358551901 /nfs/dbraw/zinc/55/19/01/358551901.db2.gz GPZYARVMTGDWOL-CYBMUJFWSA-N 2 2 224.392 2.782 20 0 BFADLP C[NH+]1CCC([NH2+][C@@H]2CSc3ccccc32)CC1 ZINC000129789936 358596227 /nfs/dbraw/zinc/59/62/27/358596227.db2.gz GJVJEZMCXBAZNW-CYBMUJFWSA-N 2 2 248.395 2.517 20 0 BFADLP c1cn(CC[NH+]2CCC3(CCCCC3)CC2)c[nH+]1 ZINC000131036328 358658184 /nfs/dbraw/zinc/65/81/84/358658184.db2.gz CJRCTNDJMNTKJA-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000049328122 358682580 /nfs/dbraw/zinc/68/25/80/358682580.db2.gz AKMPGZLKQOQMJB-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+]Cc1cccc2ccccc21 ZINC000135598173 358845599 /nfs/dbraw/zinc/84/55/99/358845599.db2.gz ZUXSACSVIDKMFO-CYBMUJFWSA-N 2 2 242.366 2.880 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000054111307 358852678 /nfs/dbraw/zinc/85/26/78/358852678.db2.gz IWCHVHZVOPSPSK-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)C1CCCCC1 ZINC000054111307 358852680 /nfs/dbraw/zinc/85/26/80/358852680.db2.gz IWCHVHZVOPSPSK-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000054110481 358853320 /nfs/dbraw/zinc/85/33/20/358853320.db2.gz RGLZPYCYRBQDCQ-HNNXBMFYSA-N 2 2 234.387 2.925 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000054110481 358853323 /nfs/dbraw/zinc/85/33/23/358853323.db2.gz RGLZPYCYRBQDCQ-HNNXBMFYSA-N 2 2 234.387 2.925 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 ZINC000071198593 359074306 /nfs/dbraw/zinc/07/43/06/359074306.db2.gz OOQNQOWGMWRJHN-DOMZBBRYSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC2)C1 ZINC000071198593 359074312 /nfs/dbraw/zinc/07/43/12/359074312.db2.gz OOQNQOWGMWRJHN-DOMZBBRYSA-N 2 2 230.355 2.574 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070682600 359061523 /nfs/dbraw/zinc/06/15/23/359061523.db2.gz WPOSGIDWUCSXAO-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C ZINC000247040978 359190301 /nfs/dbraw/zinc/19/03/01/359190301.db2.gz WCEFREBRNHVDMO-MQYQWHSLSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C[C@H]1C ZINC000247040978 359190309 /nfs/dbraw/zinc/19/03/09/359190309.db2.gz WCEFREBRNHVDMO-MQYQWHSLSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3occc32)CC[N@@H+]1C ZINC000247183599 359199153 /nfs/dbraw/zinc/19/91/53/359199153.db2.gz VJLRLFRVVOTZHI-BZPMIXESSA-N 2 2 248.370 2.729 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3occc32)CC[N@H+]1C ZINC000247183599 359199160 /nfs/dbraw/zinc/19/91/60/359199160.db2.gz VJLRLFRVVOTZHI-BZPMIXESSA-N 2 2 248.370 2.729 20 0 BFADLP C[C@@H]1CC[N@H+](CC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247325093 359212460 /nfs/dbraw/zinc/21/24/60/359212460.db2.gz IVLCTLWECZCFSO-UKRRQHHQSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247325093 359212462 /nfs/dbraw/zinc/21/24/62/359212462.db2.gz IVLCTLWECZCFSO-UKRRQHHQSA-N 2 2 247.386 2.956 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCc2ccccc21 ZINC000423383370 192759911 /nfs/dbraw/zinc/75/99/11/192759911.db2.gz PBLHOQRZXCCVCA-DOMZBBRYSA-N 2 2 232.371 2.652 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423542261 192808649 /nfs/dbraw/zinc/80/86/49/192808649.db2.gz AQLZPICKEAJPJV-WWGRRREGSA-N 2 2 244.382 2.967 20 0 BFADLP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000423553051 192811779 /nfs/dbraw/zinc/81/17/79/192811779.db2.gz KCTHLBFONUJOKE-ZFWWWQNUSA-N 2 2 248.345 2.545 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000180714005 366536994 /nfs/dbraw/zinc/53/69/94/366536994.db2.gz HUBIQFKLFKKXRY-TXEJJXNPSA-N 2 2 229.327 2.707 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000180714005 366537000 /nfs/dbraw/zinc/53/70/00/366537000.db2.gz HUBIQFKLFKKXRY-TXEJJXNPSA-N 2 2 229.327 2.707 20 0 BFADLP C[C@H]1CC[C@H](C)[NH+]1Cc1cccc2[nH+]ccn21 ZINC000180714021 366537020 /nfs/dbraw/zinc/53/70/20/366537020.db2.gz HUBIQFKLFKKXRY-RYUDHWBXSA-N 2 2 229.327 2.707 20 0 BFADLP CCC(CC)(CC)C[NH2+]C[C@@H](C)[NH+](C)C ZINC000309093190 491144703 /nfs/dbraw/zinc/14/47/03/491144703.db2.gz CXXANBLLQWNZEX-GFCCVEGCSA-N 2 2 214.397 2.743 20 0 BFADLP C[C@@]1(F)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000451113351 202353840 /nfs/dbraw/zinc/35/38/40/202353840.db2.gz JMYXSNVGWKFDFE-CQSZACIVSA-N 2 2 242.382 2.686 20 0 BFADLP C[C@@]1(F)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000451113351 202353843 /nfs/dbraw/zinc/35/38/43/202353843.db2.gz JMYXSNVGWKFDFE-CQSZACIVSA-N 2 2 242.382 2.686 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000088521505 359964948 /nfs/dbraw/zinc/96/49/48/359964948.db2.gz FRGKMZSUKLHGLO-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000088521505 359964950 /nfs/dbraw/zinc/96/49/50/359964950.db2.gz FRGKMZSUKLHGLO-KBPBESRZSA-N 2 2 224.392 2.593 20 0 BFADLP C([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCCCC1 ZINC000089560091 360026175 /nfs/dbraw/zinc/02/61/75/360026175.db2.gz BXKGUDUTBQNDCG-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCCCC1 ZINC000089560091 360026178 /nfs/dbraw/zinc/02/61/78/360026178.db2.gz BXKGUDUTBQNDCG-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000089605508 360029702 /nfs/dbraw/zinc/02/97/02/360029702.db2.gz UZYIKBLPLBYLDX-ZIAGYGMSSA-N 2 2 235.375 2.689 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000089609550 360030434 /nfs/dbraw/zinc/03/04/34/360030434.db2.gz AZKRATHEBOTWKD-HZSPNIEDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000089609550 360030441 /nfs/dbraw/zinc/03/04/41/360030441.db2.gz AZKRATHEBOTWKD-HZSPNIEDSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)=CC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003792 360052767 /nfs/dbraw/zinc/05/27/67/360052767.db2.gz VWWAKNUDPHWTDB-CQSZACIVSA-N 2 2 247.386 2.641 20 0 BFADLP CC(C)=CC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003792 360052771 /nfs/dbraw/zinc/05/27/71/360052771.db2.gz VWWAKNUDPHWTDB-CQSZACIVSA-N 2 2 247.386 2.641 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC=CCC1 ZINC000091892353 360134158 /nfs/dbraw/zinc/13/41/58/360134158.db2.gz NDOKFGQPYYBDLF-XHSDSOJGSA-N 2 2 248.414 2.901 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C[C@H]1CC=CCC1 ZINC000091892353 360134159 /nfs/dbraw/zinc/13/41/59/360134159.db2.gz NDOKFGQPYYBDLF-XHSDSOJGSA-N 2 2 248.414 2.901 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H]1CC=CCC1 ZINC000091892353 360134162 /nfs/dbraw/zinc/13/41/62/360134162.db2.gz NDOKFGQPYYBDLF-XHSDSOJGSA-N 2 2 248.414 2.901 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC=CCC1 ZINC000091892353 360134164 /nfs/dbraw/zinc/13/41/64/360134164.db2.gz NDOKFGQPYYBDLF-XHSDSOJGSA-N 2 2 248.414 2.901 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000430696284 192885601 /nfs/dbraw/zinc/88/56/01/192885601.db2.gz PYDBSPYRPRITFH-RRFJBIMHSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[C@@H](C[NH2+]CC2([NH+](C)C)CCC2)C1 ZINC000097928284 360382318 /nfs/dbraw/zinc/38/23/18/360382318.db2.gz YBWAEYMSUGRGJI-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)[C@H](C)C1 ZINC000097929268 360384271 /nfs/dbraw/zinc/38/42/71/360384271.db2.gz NRUCPXGMVHELQQ-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(C)c1 ZINC000629397316 361047725 /nfs/dbraw/zinc/04/77/25/361047725.db2.gz ZDZJIYISRWYVAO-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(C)c1 ZINC000629397313 361047894 /nfs/dbraw/zinc/04/78/94/361047894.db2.gz ZDZJIYISRWYVAO-DZGCQCFKSA-N 2 2 232.371 2.534 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000629404501 361052014 /nfs/dbraw/zinc/05/20/14/361052014.db2.gz ONVMQOSULHIHCX-QWHCGFSZSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2coc3ccccc23)C[NH2+]1 ZINC000629415482 361062101 /nfs/dbraw/zinc/06/21/01/361062101.db2.gz QZIZPLJPQGDFNP-WCQYABFASA-N 2 2 244.338 2.663 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C[NH2+]1 ZINC000629415418 361062169 /nfs/dbraw/zinc/06/21/69/361062169.db2.gz QDUCYEKQSFEGBL-LRDDRELGSA-N 2 2 244.382 2.794 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000629526414 361128492 /nfs/dbraw/zinc/12/84/92/361128492.db2.gz TUHYJBGSPNLVLZ-MSQAHXEGSA-N 2 2 244.382 2.650 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1cccnc1 ZINC000629527400 361129737 /nfs/dbraw/zinc/12/97/37/361129737.db2.gz UVPZXKBHXWHZOH-SOUVJXGZSA-N 2 2 247.386 2.653 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000629524150 361122268 /nfs/dbraw/zinc/12/22/68/361122268.db2.gz MLKNBAKJZAQJHW-LEWSCRJBSA-N 2 2 236.334 2.617 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000629523279 361124647 /nfs/dbraw/zinc/12/46/47/361124647.db2.gz DBZBYDZGFRKTQM-AEGPPILISA-N 2 2 232.371 2.786 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccsc1 ZINC000629525907 361127031 /nfs/dbraw/zinc/12/70/31/361127031.db2.gz FYRUBLHLMFHACH-ADEWGFFLSA-N 2 2 224.373 2.539 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000629525751 361127083 /nfs/dbraw/zinc/12/70/83/361127083.db2.gz AVPDATVYAWPJJT-SOUVJXGZSA-N 2 2 248.345 2.543 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1cccc2C ZINC000629525765 361127214 /nfs/dbraw/zinc/12/72/14/361127214.db2.gz BDTIEPAORQQVNQ-HRCADAONSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@H]1CCCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000579241033 366743768 /nfs/dbraw/zinc/74/37/68/366743768.db2.gz CORRYAJUEFZVHL-ZDUSSCGKSA-N 2 2 235.375 2.617 20 0 BFADLP C[C@H]1CCCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000579241033 366743771 /nfs/dbraw/zinc/74/37/71/366743771.db2.gz CORRYAJUEFZVHL-ZDUSSCGKSA-N 2 2 235.375 2.617 20 0 BFADLP CC(C)([NH2+]CCn1cc[nH+]c1)c1ccccc1F ZINC000429263747 201085347 /nfs/dbraw/zinc/08/53/47/201085347.db2.gz KMVRJOAIPCBDOH-UHFFFAOYSA-N 2 2 247.317 2.547 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2sccc21 ZINC000629553052 361438031 /nfs/dbraw/zinc/43/80/31/361438031.db2.gz JOMLRIJCXSOZPY-HOSYDEDBSA-N 2 2 236.384 2.638 20 0 BFADLP CC[N@H+](CC[NH3+])[C@@H]1CCc2c1cccc2Cl ZINC000629558111 361453027 /nfs/dbraw/zinc/45/30/27/361453027.db2.gz RISUSSBQQNGHCG-CYBMUJFWSA-N 2 2 238.762 2.608 20 0 BFADLP CC[N@@H+](CC[NH3+])[C@@H]1CCc2c1cccc2Cl ZINC000629558111 361453030 /nfs/dbraw/zinc/45/30/30/361453030.db2.gz RISUSSBQQNGHCG-CYBMUJFWSA-N 2 2 238.762 2.608 20 0 BFADLP CCC(CC)(CC)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000381593674 361496718 /nfs/dbraw/zinc/49/67/18/361496718.db2.gz KPKAPMVOEZQAMH-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CCC(CC)(CC)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000381593674 361496727 /nfs/dbraw/zinc/49/67/27/361496727.db2.gz KPKAPMVOEZQAMH-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000152663005 201206127 /nfs/dbraw/zinc/20/61/27/201206127.db2.gz VJFOUIMWKIRXDL-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP C[NH2+]c1ccc(N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000629653699 361552861 /nfs/dbraw/zinc/55/28/61/361552861.db2.gz MGCWMNQZGPHZCX-SLEUVZQESA-N 2 2 245.370 2.528 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1c(C)cc(Cl)cc1C ZINC000629651163 361556100 /nfs/dbraw/zinc/55/61/00/361556100.db2.gz KPTDJBLLGJUKDX-UHFFFAOYSA-N 2 2 240.778 2.737 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1c(C)cc(Cl)cc1C ZINC000629651163 361556101 /nfs/dbraw/zinc/55/61/01/361556101.db2.gz KPTDJBLLGJUKDX-UHFFFAOYSA-N 2 2 240.778 2.737 20 0 BFADLP C([NH2+]C1CCCCC1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434797698 201241334 /nfs/dbraw/zinc/24/13/34/201241334.db2.gz ZEKLZDNSAVCFTB-OAHLLOKOSA-N 2 2 236.403 2.926 20 0 BFADLP C([NH2+]C1CCCCC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000434797698 201241338 /nfs/dbraw/zinc/24/13/38/201241338.db2.gz ZEKLZDNSAVCFTB-OAHLLOKOSA-N 2 2 236.403 2.926 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434783804 201240022 /nfs/dbraw/zinc/24/00/22/201240022.db2.gz ILYGUGNAKLLMTB-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434783804 201240026 /nfs/dbraw/zinc/24/00/26/201240026.db2.gz ILYGUGNAKLLMTB-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000448554656 201258046 /nfs/dbraw/zinc/25/80/46/201258046.db2.gz MHVKKDBODZZORA-ZDUSSCGKSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)(C)C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000448554656 201258049 /nfs/dbraw/zinc/25/80/49/201258049.db2.gz MHVKKDBODZZORA-ZDUSSCGKSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154558153 201284284 /nfs/dbraw/zinc/28/42/84/201284284.db2.gz HTYINFHPMDWUPG-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154558153 201284287 /nfs/dbraw/zinc/28/42/87/201284287.db2.gz HTYINFHPMDWUPG-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436274029 201318738 /nfs/dbraw/zinc/31/87/38/201318738.db2.gz LNHLLBHDRGYGOH-HZPDHXFCSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000436274029 201318740 /nfs/dbraw/zinc/31/87/40/201318740.db2.gz LNHLLBHDRGYGOH-HZPDHXFCSA-N 2 2 246.398 2.864 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CCC1 ZINC000437095687 201343282 /nfs/dbraw/zinc/34/32/82/201343282.db2.gz REOCLKNYEYIOPW-KGLIPLIRSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000155708877 201347199 /nfs/dbraw/zinc/34/71/99/201347199.db2.gz AOQNZYJLRXZEFF-CHWSQXEVSA-N 2 2 223.364 2.688 20 0 BFADLP CCCc1ccc(C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000619771197 364402323 /nfs/dbraw/zinc/40/23/23/364402323.db2.gz VCPIFFITMCMGBS-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000619771197 364402329 /nfs/dbraw/zinc/40/23/29/364402329.db2.gz VCPIFFITMCMGBS-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1cccs1 ZINC000398992054 364668175 /nfs/dbraw/zinc/66/81/75/364668175.db2.gz MDLPCQBUFVUYIR-WOPDTQHZSA-N 2 2 238.400 2.929 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000399016752 364723574 /nfs/dbraw/zinc/72/35/74/364723574.db2.gz GHRLKFZSHGVQLY-GHMZBOCLSA-N 2 2 238.400 2.541 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CC ZINC000167543200 364796045 /nfs/dbraw/zinc/79/60/45/364796045.db2.gz DAQGDUYKOCWKSD-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]1CC ZINC000167543200 364796048 /nfs/dbraw/zinc/79/60/48/364796048.db2.gz DAQGDUYKOCWKSD-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000434754478 541390200 /nfs/dbraw/zinc/39/02/00/541390200.db2.gz GHWBYCOXKSYKKD-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000434754478 541390202 /nfs/dbraw/zinc/39/02/02/541390202.db2.gz GHWBYCOXKSYKKD-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC/C=C/CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274322389 541405142 /nfs/dbraw/zinc/40/51/42/541405142.db2.gz IXFNTQLCNRWRRQ-OOPCZODUSA-N 2 2 233.359 2.945 20 0 BFADLP CC/C=C/CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000274322389 541405146 /nfs/dbraw/zinc/40/51/46/541405146.db2.gz IXFNTQLCNRWRRQ-OOPCZODUSA-N 2 2 233.359 2.945 20 0 BFADLP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C(C)C)[NH+](C)C ZINC000443206404 193014673 /nfs/dbraw/zinc/01/46/73/193014673.db2.gz GNBWXAXGIWNXLR-HIFRSBDPSA-N 2 2 234.387 2.984 20 0 BFADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]CC1CC1)[NH+](C)C ZINC000443003155 193009722 /nfs/dbraw/zinc/00/97/22/193009722.db2.gz BCQBVMCQDINCOC-XJKSGUPXSA-N 2 2 246.398 2.986 20 0 BFADLP C[C@H](CC[NH2+][C@@H]1C[N@H+](C)C[C@H]1C)CC(C)(C)C ZINC000443008406 193010309 /nfs/dbraw/zinc/01/03/09/193010309.db2.gz FVKOAXMIWFZIQQ-MGPQQGTHSA-N 2 2 240.435 2.989 20 0 BFADLP C[C@H](CC[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)CC(C)(C)C ZINC000443008406 193010311 /nfs/dbraw/zinc/01/03/11/193010311.db2.gz FVKOAXMIWFZIQQ-MGPQQGTHSA-N 2 2 240.435 2.989 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)c1ccccc1 ZINC000576053367 365467085 /nfs/dbraw/zinc/46/70/85/365467085.db2.gz LWWKTLLFPPHOFL-HNNXBMFYSA-N 2 2 243.354 2.969 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000580803336 367169796 /nfs/dbraw/zinc/16/97/96/367169796.db2.gz GWPSUMDESYNDEU-RWMBFGLXSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000580803336 367169800 /nfs/dbraw/zinc/16/98/00/367169800.db2.gz GWPSUMDESYNDEU-RWMBFGLXSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC(C)(C)[NH+](C)C ZINC000384704530 367717564 /nfs/dbraw/zinc/71/75/64/367717564.db2.gz FITDRVBPUIKRDH-NSHDSACASA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000385117845 367795842 /nfs/dbraw/zinc/79/58/42/367795842.db2.gz JUNXPHLNTFNPEL-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000385117845 367795847 /nfs/dbraw/zinc/79/58/47/367795847.db2.gz JUNXPHLNTFNPEL-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1F ZINC000399203683 367904005 /nfs/dbraw/zinc/90/40/05/367904005.db2.gz UVSWYTDYDZMJGR-GRYCIOLGSA-N 2 2 236.334 2.617 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)s2)C[NH2+]1 ZINC000399197583 367899182 /nfs/dbraw/zinc/89/91/82/367899182.db2.gz SLHGWNJWOJZIJE-BDAKNGLRSA-N 2 2 244.791 2.632 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1F ZINC000399203684 367903157 /nfs/dbraw/zinc/90/31/57/367903157.db2.gz UVSWYTDYDZMJGR-IJLUTSLNSA-N 2 2 236.334 2.617 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccs1 ZINC000399257078 368048618 /nfs/dbraw/zinc/04/86/18/368048618.db2.gz NUVKOHIXCOHXSN-OUAUKWLOSA-N 2 2 224.373 2.539 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccsc1 ZINC000399280618 368063359 /nfs/dbraw/zinc/06/33/59/368063359.db2.gz XHIKPDNKBPSXKP-FOGDFJRCSA-N 2 2 224.373 2.539 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCCC3)C[N@@H+]1C1CC1 ZINC000387227586 368117776 /nfs/dbraw/zinc/11/77/76/368117776.db2.gz HYZYXGLBIFRSPG-YRGRVCCFSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CCCC3)C[N@H+]1C1CC1 ZINC000387227586 368117782 /nfs/dbraw/zinc/11/77/82/368117782.db2.gz HYZYXGLBIFRSPG-YRGRVCCFSA-N 2 2 234.387 2.534 20 0 BFADLP CC[N@H+](CCc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1C ZINC000459405229 203276600 /nfs/dbraw/zinc/27/66/00/203276600.db2.gz DXYQVGJATIFLAE-UKRRQHHQSA-N 2 2 249.402 2.863 20 0 BFADLP CC[N@@H+](CCc1c[nH+]cn1C)[C@@H]1CCCC[C@H]1C ZINC000459405229 203276602 /nfs/dbraw/zinc/27/66/02/203276602.db2.gz DXYQVGJATIFLAE-UKRRQHHQSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)CC[C@@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459342783 203260734 /nfs/dbraw/zinc/26/07/34/203260734.db2.gz FFFBDQUNIRONDA-AWEZNQCLSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)CC[C@@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459342783 203260737 /nfs/dbraw/zinc/26/07/37/203260737.db2.gz FFFBDQUNIRONDA-AWEZNQCLSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@H]1CCCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459338578 203262586 /nfs/dbraw/zinc/26/25/86/203262586.db2.gz KOXUOPKCJVXAGF-ZDUSSCGKSA-N 2 2 235.375 2.617 20 0 BFADLP CC[C@H]1CCCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459338578 203262589 /nfs/dbraw/zinc/26/25/89/203262589.db2.gz KOXUOPKCJVXAGF-ZDUSSCGKSA-N 2 2 235.375 2.617 20 0 BFADLP CC(C)C[C@@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459353968 203264995 /nfs/dbraw/zinc/26/49/95/203264995.db2.gz AUNXUNDUIQTKKD-AWEZNQCLSA-N 2 2 249.402 2.721 20 0 BFADLP CC(C)C[C@@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459353968 203264998 /nfs/dbraw/zinc/26/49/98/203264998.db2.gz AUNXUNDUIQTKKD-AWEZNQCLSA-N 2 2 249.402 2.721 20 0 BFADLP CC(C)C[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000459353969 203265040 /nfs/dbraw/zinc/26/50/40/203265040.db2.gz AUNXUNDUIQTKKD-CQSZACIVSA-N 2 2 249.402 2.721 20 0 BFADLP CC(C)C[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000459353969 203265042 /nfs/dbraw/zinc/26/50/42/203265042.db2.gz AUNXUNDUIQTKKD-CQSZACIVSA-N 2 2 249.402 2.721 20 0 BFADLP CC(C)C[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459385595 203269842 /nfs/dbraw/zinc/26/98/42/203269842.db2.gz IQARBTQUSSIMDD-AWEZNQCLSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)C[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459385595 203269843 /nfs/dbraw/zinc/26/98/43/203269843.db2.gz IQARBTQUSSIMDD-AWEZNQCLSA-N 2 2 249.402 2.863 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)Cc1ccsc1 ZINC000619231390 369306736 /nfs/dbraw/zinc/30/67/36/369306736.db2.gz MYSZLPFVAPGHLG-UHFFFAOYSA-N 2 2 240.416 2.912 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)Cc1ccsc1 ZINC000619231390 369306740 /nfs/dbraw/zinc/30/67/40/369306740.db2.gz MYSZLPFVAPGHLG-UHFFFAOYSA-N 2 2 240.416 2.912 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCCC1CCCC1 ZINC000459551640 203299008 /nfs/dbraw/zinc/29/90/08/203299008.db2.gz SXEKIPIWJMWNMR-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CCc1ccc(CC[NH2+]C(C)(C)C[NH+](C)C)cc1 ZINC000459553660 203299527 /nfs/dbraw/zinc/29/95/27/203299527.db2.gz YYIJTYCYVFMJEW-UHFFFAOYSA-N 2 2 248.414 2.721 20 0 BFADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000459657639 203331106 /nfs/dbraw/zinc/33/11/06/203331106.db2.gz NWQDLOCWZOHQHI-SFDCQRBFSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000459657639 203331110 /nfs/dbraw/zinc/33/11/10/203331110.db2.gz NWQDLOCWZOHQHI-SFDCQRBFSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1C(C)(C)C1(C)C ZINC000459667840 203333559 /nfs/dbraw/zinc/33/35/59/203333559.db2.gz SJDWCIXJFONQNC-NSHDSACASA-N 2 2 249.402 2.623 20 0 BFADLP C[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CCCC[C@H]1C ZINC000459664116 203333923 /nfs/dbraw/zinc/33/39/23/203333923.db2.gz PMWOFIMYJBCHPR-VNHYZAJKSA-N 2 2 249.402 2.767 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661624 203332897 /nfs/dbraw/zinc/33/28/97/203332897.db2.gz MTMDQZSAAQHGBI-STQMWFEESA-N 2 2 237.391 2.767 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621777847 370527907 /nfs/dbraw/zinc/52/79/07/370527907.db2.gz HVOZWWNRNNPQQT-OSAQELSMSA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621777847 370527913 /nfs/dbraw/zinc/52/79/13/370527913.db2.gz HVOZWWNRNNPQQT-OSAQELSMSA-N 2 2 248.345 2.700 20 0 BFADLP C/C=C\C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000389881023 371179061 /nfs/dbraw/zinc/17/90/61/371179061.db2.gz ZFMBIPQVUHCMJE-WCQMXNECSA-N 2 2 244.382 2.673 20 0 BFADLP C/C=C\C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000389881023 371179067 /nfs/dbraw/zinc/17/90/67/371179067.db2.gz ZFMBIPQVUHCMJE-WCQMXNECSA-N 2 2 244.382 2.673 20 0 BFADLP CC[C@H](CCc1ccccc1)[NH2+]CC[NH+](C)C ZINC000623984085 371217379 /nfs/dbraw/zinc/21/73/79/371217379.db2.gz XAXVLTVPBVNTIY-OAHLLOKOSA-N 2 2 234.387 2.549 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000624272030 371453132 /nfs/dbraw/zinc/45/31/32/371453132.db2.gz TUGQYBDJESRPFA-IHRRRGAJSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000624272030 371453134 /nfs/dbraw/zinc/45/31/34/371453134.db2.gz TUGQYBDJESRPFA-IHRRRGAJSA-N 2 2 242.382 2.589 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000631736415 372538450 /nfs/dbraw/zinc/53/84/50/372538450.db2.gz JTUPTKKKKADBTK-UMVBOHGHSA-N 2 2 232.371 2.596 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000631736415 372538453 /nfs/dbraw/zinc/53/84/53/372538453.db2.gz JTUPTKKKKADBTK-UMVBOHGHSA-N 2 2 232.371 2.596 20 0 BFADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000631831982 372616016 /nfs/dbraw/zinc/61/60/16/372616016.db2.gz UUEHXCVJAWHRMH-CQSZACIVSA-N 2 2 236.334 2.529 20 0 BFADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000631831982 372616018 /nfs/dbraw/zinc/61/60/18/372616018.db2.gz UUEHXCVJAWHRMH-CQSZACIVSA-N 2 2 236.334 2.529 20 0 BFADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2cccc(F)c2)C1 ZINC000631833306 372617024 /nfs/dbraw/zinc/61/70/24/372617024.db2.gz XPMIDYKZODOLLP-CQSZACIVSA-N 2 2 236.334 2.529 20 0 BFADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000631833306 372617031 /nfs/dbraw/zinc/61/70/31/372617031.db2.gz XPMIDYKZODOLLP-CQSZACIVSA-N 2 2 236.334 2.529 20 0 BFADLP CC(C)(C)CC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000171828516 372785734 /nfs/dbraw/zinc/78/57/34/372785734.db2.gz JGIMGSRWDZZBAS-AWEZNQCLSA-N 2 2 238.419 2.983 20 0 BFADLP CC(C)(C)CC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000171828516 372785739 /nfs/dbraw/zinc/78/57/39/372785739.db2.gz JGIMGSRWDZZBAS-AWEZNQCLSA-N 2 2 238.419 2.983 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@H+](C)C2)CC(C)(C)C1 ZINC000040672329 373589429 /nfs/dbraw/zinc/58/94/29/373589429.db2.gz PVNHFMRVKPOGNE-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000040672329 373589436 /nfs/dbraw/zinc/58/94/36/373589436.db2.gz PVNHFMRVKPOGNE-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(C)(C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000174327353 374180676 /nfs/dbraw/zinc/18/06/76/374180676.db2.gz YDEVUSKHIHLJIZ-UHFFFAOYSA-N 2 2 231.343 2.921 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000442666448 206083032 /nfs/dbraw/zinc/08/30/32/206083032.db2.gz RBDFIVGYNJBVKW-SUNKGSAMSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C)C[C@H]1c1ccccc1F ZINC000442666448 206083037 /nfs/dbraw/zinc/08/30/37/206083037.db2.gz RBDFIVGYNJBVKW-SUNKGSAMSA-N 2 2 236.334 2.556 20 0 BFADLP c1cn2c(cccc2C[N@@H+]2CCC[C@@H]2C2CC2)[nH+]1 ZINC000371426866 183343223 /nfs/dbraw/zinc/34/32/23/183343223.db2.gz RIYWMJAEFFKFAW-CQSZACIVSA-N 2 2 241.338 2.709 20 0 BFADLP c1cn2c(cccc2C[N@H+]2CCC[C@@H]2C2CC2)[nH+]1 ZINC000371426866 183343224 /nfs/dbraw/zinc/34/32/24/183343224.db2.gz RIYWMJAEFFKFAW-CQSZACIVSA-N 2 2 241.338 2.709 20 0 BFADLP c1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cs1 ZINC000376729206 183352616 /nfs/dbraw/zinc/35/26/16/183352616.db2.gz OKXALJUBJXXCJU-UHFFFAOYSA-N 2 2 247.367 2.571 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000161336840 169258949 /nfs/dbraw/zinc/25/89/49/169258949.db2.gz MHBAWVPXPOVGMJ-UHFFFAOYSA-N 2 2 240.778 2.738 20 0 BFADLP c1cc(O[C@H]2CC[N@@H+](CC3CCCC3)C2)cc[nH+]1 ZINC000120194003 183361173 /nfs/dbraw/zinc/36/11/73/183361173.db2.gz SUNMAGVIJIIMSB-HNNXBMFYSA-N 2 2 246.354 2.725 20 0 BFADLP c1cc(O[C@H]2CC[N@H+](CC3CCCC3)C2)cc[nH+]1 ZINC000120194003 183361175 /nfs/dbraw/zinc/36/11/75/183361175.db2.gz SUNMAGVIJIIMSB-HNNXBMFYSA-N 2 2 246.354 2.725 20 0 BFADLP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000043326826 183453979 /nfs/dbraw/zinc/45/39/79/183453979.db2.gz KMFPAILTDXCFRR-YPMHNXCESA-N 2 2 248.395 2.565 20 0 BFADLP CCC[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000337340161 169367427 /nfs/dbraw/zinc/36/74/27/169367427.db2.gz SJBSCSCKJVNTAG-KGLIPLIRSA-N 2 2 224.392 2.735 20 0 BFADLP CCC[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000337340161 169367428 /nfs/dbraw/zinc/36/74/28/169367428.db2.gz SJBSCSCKJVNTAG-KGLIPLIRSA-N 2 2 224.392 2.735 20 0 BFADLP CCC[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000337340165 169367542 /nfs/dbraw/zinc/36/75/42/169367542.db2.gz SJBSCSCKJVNTAG-ZIAGYGMSSA-N 2 2 224.392 2.735 20 0 BFADLP CCC[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000337340165 169367544 /nfs/dbraw/zinc/36/75/44/169367544.db2.gz SJBSCSCKJVNTAG-ZIAGYGMSSA-N 2 2 224.392 2.735 20 0 BFADLP CCC[C@@H](C)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000337317825 169367866 /nfs/dbraw/zinc/36/78/66/169367866.db2.gz LWHMAWCMLNBGNR-NEPJUHHUSA-N 2 2 221.348 2.778 20 0 BFADLP CCC[C@@H](C)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000337317825 169367867 /nfs/dbraw/zinc/36/78/67/169367867.db2.gz LWHMAWCMLNBGNR-NEPJUHHUSA-N 2 2 221.348 2.778 20 0 BFADLP CCC[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767041 169369851 /nfs/dbraw/zinc/36/98/51/169369851.db2.gz XLMNPZZHZCQZEB-CYBMUJFWSA-N 2 2 212.381 2.641 20 0 BFADLP CCC[C@@H](C)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771631 169359253 /nfs/dbraw/zinc/35/92/53/169359253.db2.gz FSMHBPADVJFBAY-CQSZACIVSA-N 2 2 226.408 2.744 20 0 BFADLP CCC[C@@H](CC)[NH2+]CC[N@H+](CC)C1CC1 ZINC000125419178 169379685 /nfs/dbraw/zinc/37/96/85/169379685.db2.gz TWTHHTDYBLFDKV-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@@H](CC)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000125419178 169379687 /nfs/dbraw/zinc/37/96/87/169379687.db2.gz TWTHHTDYBLFDKV-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000194062265 259614256 /nfs/dbraw/zinc/61/42/56/259614256.db2.gz NSMFAGYOMNHPNP-UHFFFAOYSA-N 2 2 248.370 2.552 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000310001808 171059032 /nfs/dbraw/zinc/05/90/32/171059032.db2.gz FECWVBKCWRCJFL-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000310001808 171059033 /nfs/dbraw/zinc/05/90/33/171059033.db2.gz FECWVBKCWRCJFL-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP c1cn(-c2ccc(C[NH2+]C3CCCC3)cc2)c[nH+]1 ZINC000034991151 383820718 /nfs/dbraw/zinc/82/07/18/383820718.db2.gz WDOUZNNLIVJCGO-UHFFFAOYSA-N 2 2 241.338 2.905 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[NH+](C)C)c1ccccc1 ZINC000035046579 383823663 /nfs/dbraw/zinc/82/36/63/383823663.db2.gz OWLXJXFJIZFESU-CQSZACIVSA-N 2 2 220.360 2.535 20 0 BFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccco1 ZINC000035738548 383873389 /nfs/dbraw/zinc/87/33/89/383873389.db2.gz NGQKWQSIFPQFCT-WODVXLOZSA-N 2 2 234.343 2.555 20 0 BFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000035738548 383873391 /nfs/dbraw/zinc/87/33/91/383873391.db2.gz NGQKWQSIFPQFCT-WODVXLOZSA-N 2 2 234.343 2.555 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+][C@H]1CCC13CCCC3)CC2 ZINC000336415149 383829073 /nfs/dbraw/zinc/82/90/73/383829073.db2.gz YGRQSMKZBYABBW-STQMWFEESA-N 2 2 245.370 2.510 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000227709385 134384775 /nfs/dbraw/zinc/38/47/75/134384775.db2.gz CIDOOYDWYRYVHM-VNHYZAJKSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C1CC1 ZINC000227709385 134384776 /nfs/dbraw/zinc/38/47/76/134384776.db2.gz CIDOOYDWYRYVHM-VNHYZAJKSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000449339719 383905526 /nfs/dbraw/zinc/90/55/26/383905526.db2.gz UWRHINWTITZQMM-WDEREUQCSA-N 2 2 235.375 2.681 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000449339719 383905531 /nfs/dbraw/zinc/90/55/31/383905531.db2.gz UWRHINWTITZQMM-WDEREUQCSA-N 2 2 235.375 2.681 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH+](C)C)c1cccc(C)c1 ZINC000348287401 383955722 /nfs/dbraw/zinc/95/57/22/383955722.db2.gz HXEJYGJKLHPJBD-UKRRQHHQSA-N 2 2 234.387 2.986 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH+](C)C)c1cccc(C)c1 ZINC000348287400 383956260 /nfs/dbraw/zinc/95/62/60/383956260.db2.gz HXEJYGJKLHPJBD-HIFRSBDPSA-N 2 2 234.387 2.986 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)[nH+]1 ZINC000647256440 384044715 /nfs/dbraw/zinc/04/47/15/384044715.db2.gz SCRJGVAHIBKYHX-RWMBFGLXSA-N 2 2 241.338 2.613 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1C ZINC000221151625 384088398 /nfs/dbraw/zinc/08/83/98/384088398.db2.gz TYSSFWLXWMZNCO-MRXNPFEDSA-N 2 2 246.398 2.796 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C ZINC000221151625 384088404 /nfs/dbraw/zinc/08/84/04/384088404.db2.gz TYSSFWLXWMZNCO-MRXNPFEDSA-N 2 2 246.398 2.796 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000038088782 384068220 /nfs/dbraw/zinc/06/82/20/384068220.db2.gz YTOXPUGTZFJNRQ-OCCSQVGLSA-N 2 2 220.360 2.677 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000070091494 384077904 /nfs/dbraw/zinc/07/79/04/384077904.db2.gz DTXAYJYHVGOYQW-NWDGAFQWSA-N 2 2 249.383 2.992 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000070091495 384078257 /nfs/dbraw/zinc/07/82/57/384078257.db2.gz DTXAYJYHVGOYQW-RYUDHWBXSA-N 2 2 249.383 2.992 20 0 BFADLP Cn1c[nH+]c(CC[NH2+]CCC2CCCCCC2)c1 ZINC000313252206 384152776 /nfs/dbraw/zinc/15/27/76/384152776.db2.gz MVNFBDZPRFUDEP-UHFFFAOYSA-N 2 2 249.402 2.913 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313251348 384154874 /nfs/dbraw/zinc/15/48/74/384154874.db2.gz LSCGYMVNTPTUBT-LBPRGKRZSA-N 2 2 237.391 2.767 20 0 BFADLP CC1=CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000560476944 384159129 /nfs/dbraw/zinc/15/91/29/384159129.db2.gz SXLUVEMZLUUDRF-STQMWFEESA-N 2 2 222.376 2.558 20 0 BFADLP CC1=CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000560476944 384159132 /nfs/dbraw/zinc/15/91/32/384159132.db2.gz SXLUVEMZLUUDRF-STQMWFEESA-N 2 2 222.376 2.558 20 0 BFADLP CCCC[NH+](CCCC)CC(C)(C)[NH3+] ZINC000040925852 384170771 /nfs/dbraw/zinc/17/07/71/384170771.db2.gz LLWGJQGMZNGTDR-UHFFFAOYSA-N 2 2 200.370 2.626 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c(C)c1 ZINC000041119120 384178026 /nfs/dbraw/zinc/17/80/26/384178026.db2.gz QTCGCHMNBJAORO-AWEZNQCLSA-N 2 2 243.354 2.851 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313264364 384180670 /nfs/dbraw/zinc/18/06/70/384180670.db2.gz FHAUYZVFPQVRJT-CHWSQXEVSA-N 2 2 235.375 2.521 20 0 BFADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)c1cccs1 ZINC000313266100 384183057 /nfs/dbraw/zinc/18/30/57/384183057.db2.gz PYGKLTFCELGPTI-LBPRGKRZSA-N 2 2 249.383 2.765 20 0 BFADLP CC1(C)CCC[C@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000558569289 384188552 /nfs/dbraw/zinc/18/85/52/384188552.db2.gz FLXQDAHSDDHQHG-ZDUSSCGKSA-N 2 2 247.386 2.915 20 0 BFADLP CC1(C)CCC[C@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000558569289 384188554 /nfs/dbraw/zinc/18/85/54/384188554.db2.gz FLXQDAHSDDHQHG-ZDUSSCGKSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313277325 384212863 /nfs/dbraw/zinc/21/28/63/384212863.db2.gz ZZFRWHJOSGNAEB-GXTWGEPZSA-N 2 2 235.375 2.521 20 0 BFADLP Cc1ccccc1C1([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000647315898 384213517 /nfs/dbraw/zinc/21/35/17/384213517.db2.gz FKJWWHVROAXULS-HIFRSBDPSA-N 2 2 244.382 2.524 20 0 BFADLP Cc1ccccc1C1([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000647315898 384213522 /nfs/dbraw/zinc/21/35/22/384213522.db2.gz FKJWWHVROAXULS-HIFRSBDPSA-N 2 2 244.382 2.524 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1c(C)oc2ccccc21 ZINC000302510609 384229934 /nfs/dbraw/zinc/22/99/34/384229934.db2.gz VDYZGRKDZUJXGZ-UHFFFAOYSA-N 2 2 232.327 2.522 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1c(C)oc2ccccc21 ZINC000302510609 384229940 /nfs/dbraw/zinc/22/99/40/384229940.db2.gz VDYZGRKDZUJXGZ-UHFFFAOYSA-N 2 2 232.327 2.522 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000558699203 384252227 /nfs/dbraw/zinc/25/22/27/384252227.db2.gz CUVJFSFYLPQGFI-ZNMIVQPWSA-N 2 2 230.355 2.711 20 0 BFADLP c1coc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683350 384260324 /nfs/dbraw/zinc/26/03/24/384260324.db2.gz LWHPCCFSXAXMNI-CQSZACIVSA-N 2 2 248.370 2.587 20 0 BFADLP c1coc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000093683350 384260327 /nfs/dbraw/zinc/26/03/27/384260327.db2.gz LWHPCCFSXAXMNI-CQSZACIVSA-N 2 2 248.370 2.587 20 0 BFADLP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000133501684 384295322 /nfs/dbraw/zinc/29/53/22/384295322.db2.gz QQRSVKRMTUVBHE-GOEBONIOSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H](C[NH2+]C[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000133501684 384295335 /nfs/dbraw/zinc/29/53/35/384295335.db2.gz QQRSVKRMTUVBHE-GOEBONIOSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000447579041 384328195 /nfs/dbraw/zinc/32/81/95/384328195.db2.gz MIWZOXNBELUZOF-YDHLFZDLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000447579041 384328202 /nfs/dbraw/zinc/32/82/02/384328202.db2.gz MIWZOXNBELUZOF-YDHLFZDLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000095068342 384331062 /nfs/dbraw/zinc/33/10/62/384331062.db2.gz OIKCKHOXSPKPCG-WDEREUQCSA-N 2 2 224.373 2.541 20 0 BFADLP CC1(C)CC(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000625142222 384418835 /nfs/dbraw/zinc/41/88/35/384418835.db2.gz WDGAAQDRNQYLEK-CQSZACIVSA-N 2 2 247.386 2.956 20 0 BFADLP CC1(C)CC(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)C1 ZINC000625142222 384418841 /nfs/dbraw/zinc/41/88/41/384418841.db2.gz WDGAAQDRNQYLEK-CQSZACIVSA-N 2 2 247.386 2.956 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566418701 384427279 /nfs/dbraw/zinc/42/72/79/384427279.db2.gz KYTYQJGUPJBOPE-CYBMUJFWSA-N 2 2 235.375 2.617 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000566418701 384427281 /nfs/dbraw/zinc/42/72/81/384427281.db2.gz KYTYQJGUPJBOPE-CYBMUJFWSA-N 2 2 235.375 2.617 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230994019 259650921 /nfs/dbraw/zinc/65/09/21/259650921.db2.gz ADGSOVQBECRKAF-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230994019 259650923 /nfs/dbraw/zinc/65/09/23/259650923.db2.gz ADGSOVQBECRKAF-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000230992813 259651060 /nfs/dbraw/zinc/65/10/60/259651060.db2.gz AJABRQXPMWSJNN-MCIONIFRSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000149371317 384481016 /nfs/dbraw/zinc/48/10/16/384481016.db2.gz CCUMMBIGXKFYBV-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C(C)(C)C ZINC000085442767 384524119 /nfs/dbraw/zinc/52/41/19/384524119.db2.gz DPKGPTGLYMRFST-UHFFFAOYSA-N 2 2 206.333 2.711 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH+](C)C)c1ccccc1 ZINC000019484203 384525938 /nfs/dbraw/zinc/52/59/38/384525938.db2.gz MZOMBCWKJDMNRL-CQSZACIVSA-N 2 2 220.360 2.679 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)CCC[N@@H+]1C ZINC000309743786 384576557 /nfs/dbraw/zinc/57/65/57/384576557.db2.gz FAGDNQBTBBBHTG-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)CCC[N@H+]1C ZINC000309743786 384576563 /nfs/dbraw/zinc/57/65/63/384576563.db2.gz FAGDNQBTBBBHTG-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643066357 384578255 /nfs/dbraw/zinc/57/82/55/384578255.db2.gz NFVFUPCKTDEYAO-DZKIICNBSA-N 2 2 244.382 2.740 20 0 BFADLP Cc1cccc([C@H](C)[N@H+]2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000643066357 384578261 /nfs/dbraw/zinc/57/82/61/384578261.db2.gz NFVFUPCKTDEYAO-DZKIICNBSA-N 2 2 244.382 2.740 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643067251 384578866 /nfs/dbraw/zinc/57/88/66/384578866.db2.gz YMAKMOKSOCMHRU-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643067251 384578871 /nfs/dbraw/zinc/57/88/71/384578871.db2.gz YMAKMOKSOCMHRU-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2CC[C@@H]2C)c[nH+]1 ZINC000309785546 384609748 /nfs/dbraw/zinc/60/97/48/384609748.db2.gz NWZSQEMXRVVUII-SMDDNHRTSA-N 2 2 218.344 2.711 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1ccsc1 ZINC000050343362 384617441 /nfs/dbraw/zinc/61/74/41/384617441.db2.gz FRGDSFHMOPLYRL-GHMZBOCLSA-N 2 2 235.356 2.684 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000086333519 384638359 /nfs/dbraw/zinc/63/83/59/384638359.db2.gz DEMJYBFHUMAWND-VIFPVBQESA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000086333519 384638362 /nfs/dbraw/zinc/63/83/62/384638362.db2.gz DEMJYBFHUMAWND-VIFPVBQESA-N 2 2 244.791 2.572 20 0 BFADLP CCC1CC([NH2+]C[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000309611771 384641036 /nfs/dbraw/zinc/64/10/36/384641036.db2.gz AJLPPONWPNZBSP-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CC([NH2+]C[C@@H]2CCCC[N@H+]2CC)C1 ZINC000309611771 384641041 /nfs/dbraw/zinc/64/10/41/384641041.db2.gz AJLPPONWPNZBSP-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364917 384695005 /nfs/dbraw/zinc/69/50/05/384695005.db2.gz RUIXQBYZVVKJQW-GFCCVEGCSA-N 2 2 245.370 2.963 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC[N@H+](C)C(C)C ZINC000300927508 384707664 /nfs/dbraw/zinc/70/76/64/384707664.db2.gz NLXZMYKPYCDUHQ-CYBMUJFWSA-N 2 2 214.397 2.598 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC[N@@H+](C)C(C)C ZINC000300927508 384707670 /nfs/dbraw/zinc/70/76/70/384707670.db2.gz NLXZMYKPYCDUHQ-CYBMUJFWSA-N 2 2 214.397 2.598 20 0 BFADLP Cc1ccc(CCC[NH2+]C(C)(C)CF)c[nH+]1 ZINC000309728966 384779738 /nfs/dbraw/zinc/77/97/38/384779738.db2.gz YZRZRIMQSYIIEG-UHFFFAOYSA-N 2 2 224.323 2.660 20 0 BFADLP C[NH+](C)CCC[NH2+]Cc1ccc(Cl)cc1F ZINC000083373280 384765799 /nfs/dbraw/zinc/76/57/99/384765799.db2.gz SRSPQKKDTZGHQZ-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](CC)C(C)C ZINC000163516003 384820738 /nfs/dbraw/zinc/82/07/38/384820738.db2.gz HUCUQRWOFSVBNN-ZDUSSCGKSA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](CC)C(C)C ZINC000163516003 384820743 /nfs/dbraw/zinc/82/07/43/384820743.db2.gz HUCUQRWOFSVBNN-ZDUSSCGKSA-N 2 2 214.397 2.743 20 0 BFADLP CC[N@H+](C)CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000054110266 384821900 /nfs/dbraw/zinc/82/19/00/384821900.db2.gz UJFAVBOBZFNGDE-UHFFFAOYSA-N 2 2 246.398 2.782 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000054110266 384821907 /nfs/dbraw/zinc/82/19/07/384821907.db2.gz UJFAVBOBZFNGDE-UHFFFAOYSA-N 2 2 246.398 2.782 20 0 BFADLP CC[N@H+](C)CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000054110286 384822467 /nfs/dbraw/zinc/82/24/67/384822467.db2.gz RVQFNXKHOHSOAB-UHFFFAOYSA-N 2 2 246.398 2.782 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C1CC(c2ccccc2C)C1 ZINC000054110286 384822472 /nfs/dbraw/zinc/82/24/72/384822472.db2.gz RVQFNXKHOHSOAB-UHFFFAOYSA-N 2 2 246.398 2.782 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000054109880 384823286 /nfs/dbraw/zinc/82/32/86/384823286.db2.gz RVATVCUWTQLPLS-AWEZNQCLSA-N 2 2 234.387 2.549 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000054109880 384823290 /nfs/dbraw/zinc/82/32/90/384823290.db2.gz RVATVCUWTQLPLS-AWEZNQCLSA-N 2 2 234.387 2.549 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CC[C@@H]1C ZINC000309746432 384791972 /nfs/dbraw/zinc/79/19/72/384791972.db2.gz FSNKEPPFLDJFSW-GXTWGEPZSA-N 2 2 218.344 2.711 20 0 BFADLP c1[nH]c(C[NH2+][C@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000054764739 384850763 /nfs/dbraw/zinc/85/07/63/384850763.db2.gz SIJMKIQMMVTCEG-CQSZACIVSA-N 2 2 227.311 2.651 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000054765322 384853567 /nfs/dbraw/zinc/85/35/67/384853567.db2.gz FECWVIOAPLLMGW-ZDUSSCGKSA-N 2 2 215.300 2.651 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000175011495 384860644 /nfs/dbraw/zinc/86/06/44/384860644.db2.gz LDBPTZZUIWBCQC-STQMWFEESA-N 2 2 236.359 2.550 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000151974300 384897006 /nfs/dbraw/zinc/89/70/06/384897006.db2.gz TZJMTALXLLIINY-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000151974300 384897013 /nfs/dbraw/zinc/89/70/13/384897013.db2.gz TZJMTALXLLIINY-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000251053003 384912576 /nfs/dbraw/zinc/91/25/76/384912576.db2.gz AUXNOGSQMYAAKJ-NXEZZACHSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(Cl)cc1 ZINC000251053003 384912582 /nfs/dbraw/zinc/91/25/82/384912582.db2.gz AUXNOGSQMYAAKJ-NXEZZACHSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000258688307 384932101 /nfs/dbraw/zinc/93/21/01/384932101.db2.gz FQCIIZJTRCIEOY-GFCCVEGCSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000258688307 384932103 /nfs/dbraw/zinc/93/21/03/384932103.db2.gz FQCIIZJTRCIEOY-GFCCVEGCSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccoc1 ZINC000367439335 384978394 /nfs/dbraw/zinc/97/83/94/384978394.db2.gz TUAQZKWNIGYCHU-NSHDSACASA-N 2 2 245.326 2.663 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CC2(CCC2)C1 ZINC000448070311 384985689 /nfs/dbraw/zinc/98/56/89/384985689.db2.gz QTKGTGSYRYUFPN-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000129724553 385008117 /nfs/dbraw/zinc/00/81/17/385008117.db2.gz RZIRFKIKMWMNHI-RTXFEEFZSA-N 2 2 236.359 2.721 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000129724553 385008124 /nfs/dbraw/zinc/00/81/24/385008124.db2.gz RZIRFKIKMWMNHI-RTXFEEFZSA-N 2 2 236.359 2.721 20 0 BFADLP CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000187577569 384961391 /nfs/dbraw/zinc/96/13/91/384961391.db2.gz NPRMLVBMSCIOIA-OCCSQVGLSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@H]1[C@H](C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000187577569 384961410 /nfs/dbraw/zinc/96/14/10/384961410.db2.gz NPRMLVBMSCIOIA-OCCSQVGLSA-N 2 2 243.354 2.955 20 0 BFADLP Cc1cccc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000157085499 385065212 /nfs/dbraw/zinc/06/52/12/385065212.db2.gz ZRBGUHMDKDLZQL-JSGCOSHPSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cccc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000157085499 385065219 /nfs/dbraw/zinc/06/52/19/385065219.db2.gz ZRBGUHMDKDLZQL-JSGCOSHPSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cccc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000157085341 385067725 /nfs/dbraw/zinc/06/77/25/385067725.db2.gz ZRBGUHMDKDLZQL-GXTWGEPZSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cccc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)[nH+]1 ZINC000157085341 385067730 /nfs/dbraw/zinc/06/77/30/385067730.db2.gz ZRBGUHMDKDLZQL-GXTWGEPZSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000130238696 385030394 /nfs/dbraw/zinc/03/03/94/385030394.db2.gz WTPPQJOJWMQMMB-MGPQQGTHSA-N 2 2 248.370 2.865 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000130238696 385030404 /nfs/dbraw/zinc/03/04/04/385030404.db2.gz WTPPQJOJWMQMMB-MGPQQGTHSA-N 2 2 248.370 2.865 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448078254 385033938 /nfs/dbraw/zinc/03/39/38/385033938.db2.gz QZWKBAVHZFYKPF-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448078254 385033945 /nfs/dbraw/zinc/03/39/45/385033945.db2.gz QZWKBAVHZFYKPF-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000053201834 385034502 /nfs/dbraw/zinc/03/45/02/385034502.db2.gz FURWIVBBQXJYEL-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)C1 ZINC000053201834 385034507 /nfs/dbraw/zinc/03/45/07/385034507.db2.gz FURWIVBBQXJYEL-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)C1 ZINC000336379481 385207270 /nfs/dbraw/zinc/20/72/70/385207270.db2.gz LRMFDXCLOKMGAH-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1CC[C@@H](C)C1 ZINC000336379481 385207273 /nfs/dbraw/zinc/20/72/73/385207273.db2.gz LRMFDXCLOKMGAH-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1CC[C@@H](C)C1 ZINC000336379481 385207280 /nfs/dbraw/zinc/20/72/80/385207280.db2.gz LRMFDXCLOKMGAH-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1CC[C@@H](C)C1 ZINC000336379481 385207286 /nfs/dbraw/zinc/20/72/86/385207286.db2.gz LRMFDXCLOKMGAH-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@H]([NH2+]CCCc1[nH]c2ccccc2[nH+]1)C1CC1 ZINC000177256098 385209117 /nfs/dbraw/zinc/20/91/17/385209117.db2.gz RSUPHECTIPUPJK-NSHDSACASA-N 2 2 243.354 2.884 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CCCn1cc[nH+]c1 ZINC000300984474 385221593 /nfs/dbraw/zinc/22/15/93/385221593.db2.gz USPFEOZWYZVZQW-CYBMUJFWSA-N 2 2 223.364 2.545 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C(C)C ZINC000449780945 385222588 /nfs/dbraw/zinc/22/25/88/385222588.db2.gz HLFNPEHGKYFRDI-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C(C)C ZINC000449780945 385222594 /nfs/dbraw/zinc/22/25/94/385222594.db2.gz HLFNPEHGKYFRDI-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000559919152 385228304 /nfs/dbraw/zinc/22/83/04/385228304.db2.gz LNPFFUJEOJQIJQ-IHRRRGAJSA-N 2 2 234.387 2.700 20 0 BFADLP CC1=CC[C@H]([NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000559919152 385228310 /nfs/dbraw/zinc/22/83/10/385228310.db2.gz LNPFFUJEOJQIJQ-IHRRRGAJSA-N 2 2 234.387 2.700 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000130239130 385232269 /nfs/dbraw/zinc/23/22/69/385232269.db2.gz WTPPQJOJWMQMMB-HZSPNIEDSA-N 2 2 248.370 2.865 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000130239130 385232273 /nfs/dbraw/zinc/23/22/73/385232273.db2.gz WTPPQJOJWMQMMB-HZSPNIEDSA-N 2 2 248.370 2.865 20 0 BFADLP Cc1ccc(N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c[nH+]1 ZINC000164794222 385307726 /nfs/dbraw/zinc/30/77/26/385307726.db2.gz DEPWGIWXFCZOSD-QLFBSQMISA-N 2 2 245.370 2.723 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCC1 ZINC000178681044 385311011 /nfs/dbraw/zinc/31/10/11/385311011.db2.gz PLSSELZQBODFJR-JSGCOSHPSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[C@H](C)[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000167452305 385316147 /nfs/dbraw/zinc/31/61/47/385316147.db2.gz SIPVJKHPNJMLNM-IHRRRGAJSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020010673 385263198 /nfs/dbraw/zinc/26/31/98/385263198.db2.gz SNGUYUWEOWHQNZ-MELADBBJSA-N 2 2 228.424 2.987 20 0 BFADLP CC[C@@H](C[NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000157851747 385294379 /nfs/dbraw/zinc/29/43/79/385294379.db2.gz KCNXHQZDOYIXRI-HNNXBMFYSA-N 2 2 246.398 2.866 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000154537678 385334567 /nfs/dbraw/zinc/33/45/67/385334567.db2.gz AEJDDXZYWXMMAP-GJZGRUSLSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000154537678 385334572 /nfs/dbraw/zinc/33/45/72/385334572.db2.gz AEJDDXZYWXMMAP-GJZGRUSLSA-N 2 2 232.371 2.822 20 0 BFADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cscc1Cl ZINC000643973506 385338289 /nfs/dbraw/zinc/33/82/89/385338289.db2.gz MKVZXJNFGDRQMQ-GHMZBOCLSA-N 2 2 244.791 2.761 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154637915 385343968 /nfs/dbraw/zinc/34/39/68/385343968.db2.gz RVGZAYSITWBVNR-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154637915 385343971 /nfs/dbraw/zinc/34/39/71/385343971.db2.gz RVGZAYSITWBVNR-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP CC(C)=CC[NH2+][C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000192337498 385353071 /nfs/dbraw/zinc/35/30/71/385353071.db2.gz PWGMGDSVTKNBPS-JKSUJKDBSA-N 2 2 244.382 2.988 20 0 BFADLP CC(C)=CC[NH2+][C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000192337498 385353077 /nfs/dbraw/zinc/35/30/77/385353077.db2.gz PWGMGDSVTKNBPS-JKSUJKDBSA-N 2 2 244.382 2.988 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000168557269 385375282 /nfs/dbraw/zinc/37/52/82/385375282.db2.gz SRQVDSLBJIDXJV-DZGCQCFKSA-N 2 2 234.387 2.547 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)C1CC1 ZINC000295033064 385391787 /nfs/dbraw/zinc/39/17/87/385391787.db2.gz LUEZSRNSJZIEJC-GFCCVEGCSA-N 2 2 218.344 2.711 20 0 BFADLP Cc1ccc(C[NH2+]CCn2cc[nH+]c2)cc1Cl ZINC000193735027 385411116 /nfs/dbraw/zinc/41/11/16/385411116.db2.gz IHQJVTGXPZCBGJ-UHFFFAOYSA-N 2 2 249.745 2.635 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]CC[NH+](C)C ZINC000309087499 385412608 /nfs/dbraw/zinc/41/26/08/385412608.db2.gz ZQRBXNIFQMCGBX-STQMWFEESA-N 2 2 214.397 2.598 20 0 BFADLP CC[NH+](CC)CCCc1ccc(C)[nH+]c1 ZINC000309158362 385442185 /nfs/dbraw/zinc/44/21/85/385442185.db2.gz XZFXNTQPFDFLQN-UHFFFAOYSA-N 2 2 206.333 2.664 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000309165844 385447102 /nfs/dbraw/zinc/44/71/02/385447102.db2.gz IXHRQAYLFBLLNE-FRRDWIJNSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309165844 385447105 /nfs/dbraw/zinc/44/71/05/385447105.db2.gz IXHRQAYLFBLLNE-FRRDWIJNSA-N 2 2 212.381 2.637 20 0 BFADLP C[N@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000179313795 385458627 /nfs/dbraw/zinc/45/86/27/385458627.db2.gz YSFSAVNUKUCWOJ-OAHLLOKOSA-N 2 2 241.338 2.502 20 0 BFADLP C[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCc2ccccc21 ZINC000179313795 385458631 /nfs/dbraw/zinc/45/86/31/385458631.db2.gz YSFSAVNUKUCWOJ-OAHLLOKOSA-N 2 2 241.338 2.502 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000156629457 385461877 /nfs/dbraw/zinc/46/18/77/385461877.db2.gz QCZUUBRQYAEAFG-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000156629457 385461880 /nfs/dbraw/zinc/46/18/80/385461880.db2.gz QCZUUBRQYAEAFG-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302300113 385508784 /nfs/dbraw/zinc/50/87/84/385508784.db2.gz BIBUXIKUXGHORL-CVEARBPZSA-N 2 2 246.398 2.849 20 0 BFADLP CC(C)CCC[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302300113 385508786 /nfs/dbraw/zinc/50/87/86/385508786.db2.gz BIBUXIKUXGHORL-CVEARBPZSA-N 2 2 246.398 2.849 20 0 BFADLP CCCCC[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302337879 385515676 /nfs/dbraw/zinc/51/56/76/385515676.db2.gz HBJPVCFOJXAPJW-HUUCEWRRSA-N 2 2 232.371 2.603 20 0 BFADLP CCCCC[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302337879 385515681 /nfs/dbraw/zinc/51/56/81/385515681.db2.gz HBJPVCFOJXAPJW-HUUCEWRRSA-N 2 2 232.371 2.603 20 0 BFADLP CC[C@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179763336 385489606 /nfs/dbraw/zinc/48/96/06/385489606.db2.gz HGQRSKSKJCOAQY-ZDUSSCGKSA-N 2 2 243.354 2.956 20 0 BFADLP CC[C@H]1CCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000179763336 385489608 /nfs/dbraw/zinc/48/96/08/385489608.db2.gz HGQRSKSKJCOAQY-ZDUSSCGKSA-N 2 2 243.354 2.956 20 0 BFADLP c1cn(C2CC[NH+]([C@H]3C=CCCC3)CC2)c[nH+]1 ZINC000171933567 385535635 /nfs/dbraw/zinc/53/56/35/385535635.db2.gz ZBRUHXSCKMHXDT-ZDUSSCGKSA-N 2 2 231.343 2.629 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC1(C)C ZINC000309314830 385527397 /nfs/dbraw/zinc/52/73/97/385527397.db2.gz OZSNBKRFSSFMCT-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)C/C(Cl)=C/Cl ZINC000181064663 385562897 /nfs/dbraw/zinc/56/28/97/385562897.db2.gz DYCILLZFFYLLHX-YFHOEESVSA-N 2 2 248.157 2.524 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)C/C(Cl)=C/Cl ZINC000181064663 385562899 /nfs/dbraw/zinc/56/28/99/385562899.db2.gz DYCILLZFFYLLHX-YFHOEESVSA-N 2 2 248.157 2.524 20 0 BFADLP C[C@@H]([C@H](C)[NH2+]CC[NH+](C)C)C1CCCCC1 ZINC000309495590 385617267 /nfs/dbraw/zinc/61/72/67/385617267.db2.gz TVSQBZGLHVHBID-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccoc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000281211286 385644087 /nfs/dbraw/zinc/64/40/87/385644087.db2.gz JSPFMHYGCQSFEK-UHFFFAOYSA-N 2 2 236.359 2.506 20 0 BFADLP Cc1ccoc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281211286 385644091 /nfs/dbraw/zinc/64/40/91/385644091.db2.gz JSPFMHYGCQSFEK-UHFFFAOYSA-N 2 2 236.359 2.506 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCC3)C[N@@H+]1C1CC1 ZINC000337419469 385653121 /nfs/dbraw/zinc/65/31/21/385653121.db2.gz FDUVDJVFYQWEQR-MBNYWOFBSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC23CCC3)C[N@H+]1C1CC1 ZINC000337419469 385653125 /nfs/dbraw/zinc/65/31/25/385653125.db2.gz FDUVDJVFYQWEQR-MBNYWOFBSA-N 2 2 234.387 2.534 20 0 BFADLP Cc1ccc(CCC[NH2+]CC(C)(C)C)c[nH+]1 ZINC000336735008 385691836 /nfs/dbraw/zinc/69/18/36/385691836.db2.gz LKXOEPFRJJVVFA-UHFFFAOYSA-N 2 2 220.360 2.958 20 0 BFADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccco1 ZINC000270530844 385714774 /nfs/dbraw/zinc/71/47/74/385714774.db2.gz FLZBONXMVGDYOF-UHFFFAOYSA-N 2 2 236.359 2.587 20 0 BFADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccco1 ZINC000270530844 385714779 /nfs/dbraw/zinc/71/47/79/385714779.db2.gz FLZBONXMVGDYOF-UHFFFAOYSA-N 2 2 236.359 2.587 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)CCC1 ZINC000337458118 385668843 /nfs/dbraw/zinc/66/88/43/385668843.db2.gz JPELGMQCIPHGPD-MCIONIFRSA-N 2 2 236.403 2.639 20 0 BFADLP CCSCCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000282112260 385734838 /nfs/dbraw/zinc/73/48/38/385734838.db2.gz UEMQRIKEFPZZFI-UHFFFAOYSA-N 2 2 249.383 2.567 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000309689919 385786905 /nfs/dbraw/zinc/78/69/05/385786905.db2.gz PKXXYFGVWBPKMS-MELADBBJSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000309689919 385786911 /nfs/dbraw/zinc/78/69/11/385786911.db2.gz PKXXYFGVWBPKMS-MELADBBJSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000309689918 385786928 /nfs/dbraw/zinc/78/69/28/385786928.db2.gz PKXXYFGVWBPKMS-IHRRRGAJSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000309689918 385786931 /nfs/dbraw/zinc/78/69/31/385786931.db2.gz PKXXYFGVWBPKMS-IHRRRGAJSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccn1 ZINC000020128766 385774316 /nfs/dbraw/zinc/77/43/16/385774316.db2.gz UMDFCJVLZHPGQA-CQSZACIVSA-N 2 2 247.386 2.608 20 0 BFADLP C[C@@H](C[NH2+]C[C@H]1C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000488436542 385783927 /nfs/dbraw/zinc/78/39/27/385783927.db2.gz CJDPWPCUSJPZCU-IJEWVQPXSA-N 2 2 246.398 2.753 20 0 BFADLP C[C@@H](C[NH2+]C[C@H]1C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000488436542 385783936 /nfs/dbraw/zinc/78/39/36/385783936.db2.gz CJDPWPCUSJPZCU-IJEWVQPXSA-N 2 2 246.398 2.753 20 0 BFADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]1C ZINC000488464278 385807269 /nfs/dbraw/zinc/80/72/69/385807269.db2.gz RMDCDTJMWNRBTB-SQWLQELKSA-N 2 2 246.398 2.753 20 0 BFADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@H]1C[C@@H]1C ZINC000488464278 385807275 /nfs/dbraw/zinc/80/72/75/385807275.db2.gz RMDCDTJMWNRBTB-SQWLQELKSA-N 2 2 246.398 2.753 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000221936242 385822011 /nfs/dbraw/zinc/82/20/11/385822011.db2.gz FHDUPPCFWLHIQE-AGIUHOORSA-N 2 2 224.392 2.780 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000221936242 385822014 /nfs/dbraw/zinc/82/20/14/385822014.db2.gz FHDUPPCFWLHIQE-AGIUHOORSA-N 2 2 224.392 2.780 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000414952361 385823971 /nfs/dbraw/zinc/82/39/71/385823971.db2.gz KKWLCNITBANDJG-HIFRSBDPSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000414952362 385825941 /nfs/dbraw/zinc/82/59/41/385825941.db2.gz KKWLCNITBANDJG-UKRRQHHQSA-N 2 2 232.371 2.534 20 0 BFADLP Fc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000217642052 385889160 /nfs/dbraw/zinc/88/91/60/385889160.db2.gz SUFNDNVRQKQZJV-GJZGRUSLSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000217642052 385889163 /nfs/dbraw/zinc/88/91/63/385889163.db2.gz SUFNDNVRQKQZJV-GJZGRUSLSA-N 2 2 248.345 2.542 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1C ZINC000414962640 385893028 /nfs/dbraw/zinc/89/30/28/385893028.db2.gz WURANKBATAEEHA-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000337984855 385867852 /nfs/dbraw/zinc/86/78/52/385867852.db2.gz BYGVKKFBRBAMIV-JMGFVUJMSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000337984855 385867856 /nfs/dbraw/zinc/86/78/56/385867856.db2.gz BYGVKKFBRBAMIV-JMGFVUJMSA-N 2 2 248.414 2.780 20 0 BFADLP CCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000284419558 385869348 /nfs/dbraw/zinc/86/93/48/385869348.db2.gz XUAWACXWUNITLV-HUUCEWRRSA-N 2 2 232.371 2.822 20 0 BFADLP CCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000284419558 385869352 /nfs/dbraw/zinc/86/93/52/385869352.db2.gz XUAWACXWUNITLV-HUUCEWRRSA-N 2 2 232.371 2.822 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCC1 ZINC000338015031 385879308 /nfs/dbraw/zinc/87/93/08/385879308.db2.gz VAXSIWUFYZJFRB-ZIAGYGMSSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414127472 385976731 /nfs/dbraw/zinc/97/67/31/385976731.db2.gz PWQJDPRDUYIEAL-JSGCOSHPSA-N 2 2 237.391 2.767 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000414132748 385981593 /nfs/dbraw/zinc/98/15/93/385981593.db2.gz ZWWZAMCMSFCSSL-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000414132748 385981598 /nfs/dbraw/zinc/98/15/98/385981598.db2.gz ZWWZAMCMSFCSSL-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCC12CCCC2 ZINC000189036631 385932989 /nfs/dbraw/zinc/93/29/89/385932989.db2.gz NJIXFJUKWMFVQF-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000285547522 385940577 /nfs/dbraw/zinc/94/05/77/385940577.db2.gz GILFTRBQMFOVAD-AWEZNQCLSA-N 2 2 249.402 2.773 20 0 BFADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@@H]1C[C@H]1C ZINC000414070246 385944389 /nfs/dbraw/zinc/94/43/89/385944389.db2.gz JRIZAUGZYSTCEY-HZSPNIEDSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)[C@@H]1CCCC[NH2+]1 ZINC000335052666 385952124 /nfs/dbraw/zinc/95/21/24/385952124.db2.gz FVFRJUUJTKBJIM-RISCZKNCSA-N 2 2 245.370 2.597 20 0 BFADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@@H]1C[C@@H]1C ZINC000414088918 385954718 /nfs/dbraw/zinc/95/47/18/385954718.db2.gz BQGZNYNMMFPTRX-GLQYFDAESA-N 2 2 232.371 2.957 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1C[C@H]1C ZINC000414110074 385969468 /nfs/dbraw/zinc/96/94/68/385969468.db2.gz LMKOZTXXHYRDLG-OGMFBOKVSA-N 2 2 236.403 2.636 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1C[C@H]1C ZINC000414110074 385969470 /nfs/dbraw/zinc/96/94/70/385969470.db2.gz LMKOZTXXHYRDLG-OGMFBOKVSA-N 2 2 236.403 2.636 20 0 BFADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414124256 385971267 /nfs/dbraw/zinc/97/12/67/385971267.db2.gz KMSBIBWRJMPBQF-GUTXKFCHSA-N 2 2 249.402 2.767 20 0 BFADLP CC/C=C/C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000295125257 385973299 /nfs/dbraw/zinc/97/32/99/385973299.db2.gz XEQBWURBYIKSLK-SNAWJCMRSA-N 2 2 229.327 2.699 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1CC)[C@H]1C[C@H]1C ZINC000414125790 385974192 /nfs/dbraw/zinc/97/41/92/385974192.db2.gz QLRALKBIEXQEQG-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1CC)[C@H]1C[C@H]1C ZINC000414125790 385974196 /nfs/dbraw/zinc/97/41/96/385974196.db2.gz QLRALKBIEXQEQG-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)[C@@H]1C[C@@H]1C ZINC000414147964 385997110 /nfs/dbraw/zinc/99/71/10/385997110.db2.gz MWTHHLPEFNXRJS-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)[C@@H]1C[C@@H]1C ZINC000414147964 385997114 /nfs/dbraw/zinc/99/71/14/385997114.db2.gz MWTHHLPEFNXRJS-MJBXVCDLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000345067644 386001922 /nfs/dbraw/zinc/00/19/22/386001922.db2.gz MWDOHSOFXLOABL-CXTNEJHOSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000345067644 386001924 /nfs/dbraw/zinc/00/19/24/386001924.db2.gz MWDOHSOFXLOABL-CXTNEJHOSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)CCC2 ZINC000414120091 386014007 /nfs/dbraw/zinc/01/40/07/386014007.db2.gz XFNVQAVYTKYAEK-AHLTXXRQSA-N 2 2 247.386 2.703 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000221926608 386024971 /nfs/dbraw/zinc/02/49/71/386024971.db2.gz BFUXLKTXHSCHIW-ZDUSSCGKSA-N 2 2 238.375 2.969 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000221926608 386024976 /nfs/dbraw/zinc/02/49/76/386024976.db2.gz BFUXLKTXHSCHIW-ZDUSSCGKSA-N 2 2 238.375 2.969 20 0 BFADLP C[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000335060387 386025008 /nfs/dbraw/zinc/02/50/08/386025008.db2.gz HLDAUMBYHYEAFD-FZMZJTMJSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2(C3CCC3)CCC2)C[N@@H+]1C1CC1 ZINC000414197399 386035406 /nfs/dbraw/zinc/03/54/06/386035406.db2.gz WJZJRRRYXVOSSN-OCCSQVGLSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2(C3CCC3)CCC2)C[N@H+]1C1CC1 ZINC000414197399 386035411 /nfs/dbraw/zinc/03/54/11/386035411.db2.gz WJZJRRRYXVOSSN-OCCSQVGLSA-N 2 2 248.414 2.924 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338692114 386106163 /nfs/dbraw/zinc/10/61/63/386106163.db2.gz IDQBRATYDVUGCU-FVQBIDKESA-N 2 2 246.398 2.720 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000338692114 386106171 /nfs/dbraw/zinc/10/61/71/386106171.db2.gz IDQBRATYDVUGCU-FVQBIDKESA-N 2 2 246.398 2.720 20 0 BFADLP CC(C)[C@@H]1CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000334443105 386063133 /nfs/dbraw/zinc/06/31/33/386063133.db2.gz ATVHDRAECKSUMP-ZDUSSCGKSA-N 2 2 229.327 2.565 20 0 BFADLP CC(C)[C@@H]1CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000334443105 386063137 /nfs/dbraw/zinc/06/31/37/386063137.db2.gz ATVHDRAECKSUMP-ZDUSSCGKSA-N 2 2 229.327 2.565 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000414217103 386073055 /nfs/dbraw/zinc/07/30/55/386073055.db2.gz AOFWTXSOCARFCA-YUELXQCFSA-N 2 2 232.371 2.677 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000414217103 386073063 /nfs/dbraw/zinc/07/30/63/386073063.db2.gz AOFWTXSOCARFCA-YUELXQCFSA-N 2 2 232.371 2.677 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000286973768 386085949 /nfs/dbraw/zinc/08/59/49/386085949.db2.gz IQFOTWRVHNIUJM-AWEZNQCLSA-N 2 2 232.371 2.560 20 0 BFADLP CC[C@H]([NH3+])C[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000414984607 386094707 /nfs/dbraw/zinc/09/47/07/386094707.db2.gz VGBUJTWMHHPLJQ-NSHDSACASA-N 2 2 247.169 2.820 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccn1C ZINC000414674322 386149016 /nfs/dbraw/zinc/14/90/16/386149016.db2.gz DOQLSOCZFPRKIG-ZFWWWQNUSA-N 2 2 249.402 2.535 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccn1C ZINC000414674322 386149022 /nfs/dbraw/zinc/14/90/22/386149022.db2.gz DOQLSOCZFPRKIG-ZFWWWQNUSA-N 2 2 249.402 2.535 20 0 BFADLP Cc1occc1C[NH2+]CCc1cc[nH+]cc1C ZINC000414370138 386157060 /nfs/dbraw/zinc/15/70/60/386157060.db2.gz WCHUVQFEDGNSJM-UHFFFAOYSA-N 2 2 230.311 2.624 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414690831 386186157 /nfs/dbraw/zinc/18/61/57/386186157.db2.gz ASRBSXRLQRWWOK-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414690831 386186160 /nfs/dbraw/zinc/18/61/60/386186160.db2.gz ASRBSXRLQRWWOK-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)C(C)C)CCC2 ZINC000366210674 386187036 /nfs/dbraw/zinc/18/70/36/386187036.db2.gz PEYIARGTBXRXJQ-QWHCGFSZSA-N 2 2 235.375 2.703 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)C(C)C)CCC2 ZINC000366210672 386188722 /nfs/dbraw/zinc/18/87/22/386188722.db2.gz PEYIARGTBXRXJQ-CHWSQXEVSA-N 2 2 235.375 2.703 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccccc2)C1 ZINC000414333399 386126172 /nfs/dbraw/zinc/12/61/72/386126172.db2.gz FISAWHRNAQJVBR-YCPHGPKFSA-N 2 2 246.398 2.862 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)c2ccccc2)C1 ZINC000414333399 386126179 /nfs/dbraw/zinc/12/61/79/386126179.db2.gz FISAWHRNAQJVBR-YCPHGPKFSA-N 2 2 246.398 2.862 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCc2ccccc2[C@H]1C ZINC000414698931 386202285 /nfs/dbraw/zinc/20/22/85/386202285.db2.gz RCGSRBCVNMDCHW-HIFRSBDPSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCc2ccccc2[C@H]1C ZINC000414698931 386202288 /nfs/dbraw/zinc/20/22/88/386202288.db2.gz RCGSRBCVNMDCHW-HIFRSBDPSA-N 2 2 246.398 2.979 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000347063628 386213527 /nfs/dbraw/zinc/21/35/27/386213527.db2.gz CHAIZKWNRPBTOE-HKLWWIALSA-N 2 2 248.345 2.523 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000347063628 386213531 /nfs/dbraw/zinc/21/35/31/386213531.db2.gz CHAIZKWNRPBTOE-HKLWWIALSA-N 2 2 248.345 2.523 20 0 BFADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccsc2)c2ccccc21 ZINC000132101459 386220191 /nfs/dbraw/zinc/22/01/91/386220191.db2.gz FNBUJTUNJDAPTL-ZIAGYGMSSA-N 2 2 244.363 2.983 20 0 BFADLP Cc1cccc2c1CCC[N@@H+]2CC1CC[NH2+]CC1 ZINC000648406599 386224584 /nfs/dbraw/zinc/22/45/84/386224584.db2.gz XWRVFHWNFATDCM-UHFFFAOYSA-N 2 2 244.382 2.747 20 0 BFADLP Cc1cccc2c1CCC[N@H+]2CC1CC[NH2+]CC1 ZINC000648406599 386224586 /nfs/dbraw/zinc/22/45/86/386224586.db2.gz XWRVFHWNFATDCM-UHFFFAOYSA-N 2 2 244.382 2.747 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000347119749 386235738 /nfs/dbraw/zinc/23/57/38/386235738.db2.gz DVLUAKKMTURQIH-GZBFAFLISA-N 2 2 232.371 2.677 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000347119749 386235744 /nfs/dbraw/zinc/23/57/44/386235744.db2.gz DVLUAKKMTURQIH-GZBFAFLISA-N 2 2 232.371 2.677 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000347091747 386244848 /nfs/dbraw/zinc/24/48/48/386244848.db2.gz GEBZCXWXYYINOV-LBPRGKRZSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2s1 ZINC000347091747 386244853 /nfs/dbraw/zinc/24/48/53/386244853.db2.gz GEBZCXWXYYINOV-LBPRGKRZSA-N 2 2 246.379 2.824 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC(C)C ZINC000288966007 386247688 /nfs/dbraw/zinc/24/76/88/386247688.db2.gz BFZMKOAZDUQYES-UHFFFAOYSA-N 2 2 220.360 2.910 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC(C)C ZINC000288966007 386247695 /nfs/dbraw/zinc/24/76/95/386247695.db2.gz BFZMKOAZDUQYES-UHFFFAOYSA-N 2 2 220.360 2.910 20 0 BFADLP CCc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347190931 386255641 /nfs/dbraw/zinc/25/56/41/386255641.db2.gz FLTLKIHCWMLKIA-INIZCTEOSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000347190931 386255645 /nfs/dbraw/zinc/25/56/45/386255645.db2.gz FLTLKIHCWMLKIA-INIZCTEOSA-N 2 2 244.382 2.575 20 0 BFADLP CC[N@H+](C)CC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000300012622 386197080 /nfs/dbraw/zinc/19/70/80/386197080.db2.gz RZEUNWKDIZRJBG-JSGCOSHPSA-N 2 2 224.392 2.520 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000300012622 386197087 /nfs/dbraw/zinc/19/70/87/386197087.db2.gz RZEUNWKDIZRJBG-JSGCOSHPSA-N 2 2 224.392 2.520 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000296750090 386197053 /nfs/dbraw/zinc/19/70/53/386197053.db2.gz JRJKKYPIFWTMQG-MNOVXSKESA-N 2 2 228.299 2.704 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2C[C@H](C)n3cc[nH+]c32)c1 ZINC000296750097 386197921 /nfs/dbraw/zinc/19/79/21/386197921.db2.gz JRJKKYPIFWTMQG-WDEREUQCSA-N 2 2 228.299 2.704 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000187082037 386303657 /nfs/dbraw/zinc/30/36/57/386303657.db2.gz OGHVXYCWINKENZ-INIZCTEOSA-N 2 2 248.414 2.795 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000187082037 386303660 /nfs/dbraw/zinc/30/36/60/386303660.db2.gz OGHVXYCWINKENZ-INIZCTEOSA-N 2 2 248.414 2.795 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000276384587 386314862 /nfs/dbraw/zinc/31/48/62/386314862.db2.gz BEMODZPSMZHMLC-HZPDHXFCSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Cl)c1Cl ZINC000415006346 386316770 /nfs/dbraw/zinc/31/67/70/386316770.db2.gz KJWMOBMPBCCTEN-SFYZADRCSA-N 2 2 247.169 2.819 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]Cc1ccoc1 ZINC000289226341 386275307 /nfs/dbraw/zinc/27/53/07/386275307.db2.gz JVCMSLGXWUINDH-UHFFFAOYSA-N 2 2 230.311 2.705 20 0 BFADLP CC[N@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000289225577 386275721 /nfs/dbraw/zinc/27/57/21/386275721.db2.gz YAWMAWGJXRHIEJ-UHFFFAOYSA-N 2 2 218.344 2.807 20 0 BFADLP CC[N@@H+](CCCc1c[nH+]ccc1C)C1CC1 ZINC000289225577 386275725 /nfs/dbraw/zinc/27/57/25/386275725.db2.gz YAWMAWGJXRHIEJ-UHFFFAOYSA-N 2 2 218.344 2.807 20 0 BFADLP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000336743411 386376630 /nfs/dbraw/zinc/37/66/30/386376630.db2.gz PCDXZJIKCOOSKI-RYUDHWBXSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000336743411 386376636 /nfs/dbraw/zinc/37/66/36/386376636.db2.gz PCDXZJIKCOOSKI-RYUDHWBXSA-N 2 2 212.381 2.624 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000276488176 386332904 /nfs/dbraw/zinc/33/29/04/386332904.db2.gz PQBVKNPFUVEYGF-JKSUJKDBSA-N 2 2 246.398 2.648 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000094075051 386442915 /nfs/dbraw/zinc/44/29/15/386442915.db2.gz ZGVXBJUAKRUANW-OCCSQVGLSA-N 2 2 240.350 2.852 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1C ZINC000290065107 386390568 /nfs/dbraw/zinc/39/05/68/386390568.db2.gz PPGGCAMHOJZFHT-ZDUSSCGKSA-N 2 2 218.344 2.807 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C ZINC000290065107 386390573 /nfs/dbraw/zinc/39/05/73/386390573.db2.gz PPGGCAMHOJZFHT-ZDUSSCGKSA-N 2 2 218.344 2.807 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000414758038 386405332 /nfs/dbraw/zinc/40/53/32/386405332.db2.gz BNPAVASVFSRELQ-QWHCGFSZSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000414758038 386405335 /nfs/dbraw/zinc/40/53/35/386405335.db2.gz BNPAVASVFSRELQ-QWHCGFSZSA-N 2 2 226.408 2.870 20 0 BFADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccsc1 ZINC000299123515 386414762 /nfs/dbraw/zinc/41/47/62/386414762.db2.gz MOQPFXJFDFZNMA-UHFFFAOYSA-N 2 2 238.400 2.666 20 0 BFADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccsc1 ZINC000299123515 386414766 /nfs/dbraw/zinc/41/47/66/386414766.db2.gz MOQPFXJFDFZNMA-UHFFFAOYSA-N 2 2 238.400 2.666 20 0 BFADLP FC(F)(F)CCCC[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647934021 386428838 /nfs/dbraw/zinc/42/88/38/386428838.db2.gz WPBPPKLIQOLTOY-UHFFFAOYSA-N 2 2 247.264 2.500 20 0 BFADLP FC(F)(F)CCCC[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000647934021 386428840 /nfs/dbraw/zinc/42/88/40/386428840.db2.gz WPBPPKLIQOLTOY-UHFFFAOYSA-N 2 2 247.264 2.500 20 0 BFADLP CN(CC(C)(C)C[NH3+])c1ccc2ccccc2[nH+]1 ZINC000093874592 386430525 /nfs/dbraw/zinc/43/05/25/386430525.db2.gz OZTKCNKGCHSIRD-UHFFFAOYSA-N 2 2 243.354 2.656 20 0 BFADLP Cc1ccc(F)c(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000227283670 386473373 /nfs/dbraw/zinc/47/33/73/386473373.db2.gz NAGUJHRHACELTJ-GFCCVEGCSA-N 2 2 247.317 2.509 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417356700 386494334 /nfs/dbraw/zinc/49/43/34/386494334.db2.gz PVZZBXXJVCSZGS-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(Cl)ccc1Cl ZINC000415014719 386499651 /nfs/dbraw/zinc/49/96/51/386499651.db2.gz XFEGWXJOCMRQMD-HTQZYQBOSA-N 2 2 247.169 2.819 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc(Cl)cc1Cl)[C@H](C)[NH3+] ZINC000415014745 386500725 /nfs/dbraw/zinc/50/07/25/386500725.db2.gz XHTLIOCLSARHSS-JGVFFNPUSA-N 2 2 247.169 2.819 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]CC1([NH+](C)C)CC1 ZINC000417358948 386506062 /nfs/dbraw/zinc/50/60/62/386506062.db2.gz VCXPEVBRKCKWAQ-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000339714031 386522379 /nfs/dbraw/zinc/52/23/79/386522379.db2.gz ADRVZMCICOYTOC-UONOGXRCSA-N 2 2 247.386 2.784 20 0 BFADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000339714031 386522389 /nfs/dbraw/zinc/52/23/89/386522389.db2.gz ADRVZMCICOYTOC-UONOGXRCSA-N 2 2 247.386 2.784 20 0 BFADLP CCSCC[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000336780131 386523722 /nfs/dbraw/zinc/52/37/22/386523722.db2.gz QNWJJYFMKKRCTJ-STQMWFEESA-N 2 2 244.448 2.592 20 0 BFADLP CC(C)Cc1ccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000094901302 386463702 /nfs/dbraw/zinc/46/37/02/386463702.db2.gz VCPAYYOKOKLSSM-MRXNPFEDSA-N 2 2 246.398 2.679 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000094901302 386463705 /nfs/dbraw/zinc/46/37/05/386463705.db2.gz VCPAYYOKOKLSSM-MRXNPFEDSA-N 2 2 246.398 2.679 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000336781249 386581764 /nfs/dbraw/zinc/58/17/64/386581764.db2.gz UEHQCIOZEOXKKV-RFGFWPKPSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000336781249 386581772 /nfs/dbraw/zinc/58/17/72/386581772.db2.gz UEHQCIOZEOXKKV-RFGFWPKPSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(Cl)s1 ZINC000415047644 386533905 /nfs/dbraw/zinc/53/39/05/386533905.db2.gz FGVHAGKQQKKAAJ-VIFPVBQESA-N 2 2 246.807 2.865 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000415048823 386534032 /nfs/dbraw/zinc/53/40/32/386534032.db2.gz XLQQHBICGNEUNN-AWEZNQCLSA-N 2 2 232.371 2.534 20 0 BFADLP Clc1cccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415063553 386543405 /nfs/dbraw/zinc/54/34/05/386543405.db2.gz AFAFMBKXYHEAHW-CYBMUJFWSA-N 2 2 238.762 2.572 20 0 BFADLP Clc1ccc(C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415067273 386547050 /nfs/dbraw/zinc/54/70/50/386547050.db2.gz KKMJTMLRCVBFIJ-ZDUSSCGKSA-N 2 2 238.762 2.572 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000123572363 386558802 /nfs/dbraw/zinc/55/88/02/386558802.db2.gz SDSDUOVIBDVNNU-LBPRGKRZSA-N 2 2 244.338 2.664 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000123572363 386558807 /nfs/dbraw/zinc/55/88/07/386558807.db2.gz SDSDUOVIBDVNNU-LBPRGKRZSA-N 2 2 244.338 2.664 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](Cc2c(C)oc3ccccc32)C1 ZINC000123600160 386559703 /nfs/dbraw/zinc/55/97/03/386559703.db2.gz CNENFIYNHNWQGH-LBPRGKRZSA-N 2 2 244.338 2.535 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](Cc2c(C)oc3ccccc32)C1 ZINC000123600160 386559707 /nfs/dbraw/zinc/55/97/07/386559707.db2.gz CNENFIYNHNWQGH-LBPRGKRZSA-N 2 2 244.338 2.535 20 0 BFADLP Cc1cc[nH+]c(NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000268331366 386641689 /nfs/dbraw/zinc/64/16/89/386641689.db2.gz PWLDCNCZQNMCHJ-CYBMUJFWSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1cc[nH+]c(NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000268331366 386641693 /nfs/dbraw/zinc/64/16/93/386641693.db2.gz PWLDCNCZQNMCHJ-CYBMUJFWSA-N 2 2 233.359 2.534 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417378992 386643381 /nfs/dbraw/zinc/64/33/81/386643381.db2.gz IKUJGPKXJSVTBT-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000268741625 386690846 /nfs/dbraw/zinc/69/08/46/386690846.db2.gz YMAOJPMDKDAMEQ-WWGRRREGSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccccc1 ZINC000268741625 386690852 /nfs/dbraw/zinc/69/08/52/386690852.db2.gz YMAOJPMDKDAMEQ-WWGRRREGSA-N 2 2 244.382 2.820 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414829915 386707060 /nfs/dbraw/zinc/70/70/60/386707060.db2.gz LIVMDFISBMIHRE-ZFWWWQNUSA-N 2 2 234.387 2.958 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000045045925 386745343 /nfs/dbraw/zinc/74/53/43/386745343.db2.gz MYKJIQPYQOZDNX-HNNXBMFYSA-N 2 2 232.371 2.604 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(C(C)C)cc2)C1 ZINC000045045925 386745348 /nfs/dbraw/zinc/74/53/48/386745348.db2.gz MYKJIQPYQOZDNX-HNNXBMFYSA-N 2 2 232.371 2.604 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCC(C)(C)C2)CCC1 ZINC000165141179 386756820 /nfs/dbraw/zinc/75/68/20/386756820.db2.gz CBMIGBWSKWEOMR-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccccc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414842986 386757078 /nfs/dbraw/zinc/75/70/78/386757078.db2.gz ZYSWKVBTMBKGEQ-MRXNPFEDSA-N 2 2 240.350 2.785 20 0 BFADLP C[NH+]1CCC(Nc2ccc(C3CCC3)c[nH+]2)CC1 ZINC000293023083 386766697 /nfs/dbraw/zinc/76/66/97/386766697.db2.gz PCGTVMCDWWYCKG-UHFFFAOYSA-N 2 2 245.370 2.855 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000357354891 386767634 /nfs/dbraw/zinc/76/76/34/386767634.db2.gz MWLUAUTUAIWCAQ-YPMHNXCESA-N 2 2 235.375 2.705 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000334760372 386819800 /nfs/dbraw/zinc/81/98/00/386819800.db2.gz BSBVUTYKPGZZEC-YPMHNXCESA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000334760372 386819806 /nfs/dbraw/zinc/81/98/06/386819806.db2.gz BSBVUTYKPGZZEC-YPMHNXCESA-N 2 2 247.386 2.825 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000193047730 386812692 /nfs/dbraw/zinc/81/26/92/386812692.db2.gz FWIBWYIJBXHKHI-SNVBAGLBSA-N 2 2 244.791 2.585 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000193047730 386812698 /nfs/dbraw/zinc/81/26/98/386812698.db2.gz FWIBWYIJBXHKHI-SNVBAGLBSA-N 2 2 244.791 2.585 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000414936448 386832499 /nfs/dbraw/zinc/83/24/99/386832499.db2.gz CTVJKKXUGVCBTK-HIFRSBDPSA-N 2 2 232.371 2.534 20 0 BFADLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334844605 386892765 /nfs/dbraw/zinc/89/27/65/386892765.db2.gz JNCXCOKLGIGDAV-TZMCWYRMSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334844605 386892769 /nfs/dbraw/zinc/89/27/69/386892769.db2.gz JNCXCOKLGIGDAV-TZMCWYRMSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1cc[nH+]c(NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000301652375 386862511 /nfs/dbraw/zinc/86/25/11/386862511.db2.gz TUBRKPHVJZJNDD-ZDUSSCGKSA-N 2 2 235.375 2.778 20 0 BFADLP CCCc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414939767 386863420 /nfs/dbraw/zinc/86/34/20/386863420.db2.gz XDICLBHPURURSH-CJNGLKHVSA-N 2 2 246.398 2.727 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000301647271 386863537 /nfs/dbraw/zinc/86/35/37/386863537.db2.gz QBWJJYQAKNGVHH-ZIAGYGMSSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000301647271 386863542 /nfs/dbraw/zinc/86/35/42/386863542.db2.gz QBWJJYQAKNGVHH-ZIAGYGMSSA-N 2 2 247.386 2.922 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)o1 ZINC000293710113 386866386 /nfs/dbraw/zinc/86/63/86/386866386.db2.gz OXBPTFHBLOEXKA-NEPJUHHUSA-N 2 2 238.375 2.690 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000336744716 386877677 /nfs/dbraw/zinc/87/76/77/386877677.db2.gz VCQMMKMCMLHMJK-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000336744716 386877682 /nfs/dbraw/zinc/87/76/82/386877682.db2.gz VCQMMKMCMLHMJK-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)c1ccc(C)cc1 ZINC000358236116 386917998 /nfs/dbraw/zinc/91/79/98/386917998.db2.gz UCWPPKDHWMLXTP-VNQPRFMTSA-N 2 2 246.398 2.986 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)c1ccc(C)cc1 ZINC000358236116 386918003 /nfs/dbraw/zinc/91/80/03/386918003.db2.gz UCWPPKDHWMLXTP-VNQPRFMTSA-N 2 2 246.398 2.986 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000334866051 386921161 /nfs/dbraw/zinc/92/11/61/386921161.db2.gz VVAFSBIEVNOKOM-RISCZKNCSA-N 2 2 244.338 2.520 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101205 386941033 /nfs/dbraw/zinc/94/10/33/386941033.db2.gz JWIPZXAEEOOIPA-VXGBXAGGSA-N 2 2 235.375 2.681 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101205 386941037 /nfs/dbraw/zinc/94/10/37/386941037.db2.gz JWIPZXAEEOOIPA-VXGBXAGGSA-N 2 2 235.375 2.681 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000334820859 386949808 /nfs/dbraw/zinc/94/98/08/386949808.db2.gz NHXXJQNUXCNAMI-SMDDNHRTSA-N 2 2 244.338 2.663 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000054111068 387032593 /nfs/dbraw/zinc/03/25/93/387032593.db2.gz WBAOWIWJPJXCNO-AWEZNQCLSA-N 2 2 234.387 2.720 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H](C)c1ccccc1 ZINC000054111068 387032598 /nfs/dbraw/zinc/03/25/98/387032598.db2.gz WBAOWIWJPJXCNO-AWEZNQCLSA-N 2 2 234.387 2.720 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000053201471 387020627 /nfs/dbraw/zinc/02/06/27/387020627.db2.gz WDSAFEQATZIWCD-OAHLLOKOSA-N 2 2 246.398 2.796 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2c(C)cc(C)cc2C)C1 ZINC000053201471 387020632 /nfs/dbraw/zinc/02/06/32/387020632.db2.gz WDSAFEQATZIWCD-OAHLLOKOSA-N 2 2 246.398 2.796 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000020055084 387069158 /nfs/dbraw/zinc/06/91/58/387069158.db2.gz UHHYTOGAMWJWPP-HZSPNIEDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]([NH2+]CC[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000020083745 387071677 /nfs/dbraw/zinc/07/16/77/387071677.db2.gz NIJADWQERJGUSA-CYBMUJFWSA-N 2 2 246.398 2.778 20 0 BFADLP CC[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000228128756 387078138 /nfs/dbraw/zinc/07/81/38/387078138.db2.gz FDTIWDXJCHWHIS-KBPBESRZSA-N 2 2 234.387 2.720 20 0 BFADLP CC(C)c1ccc(C[N@H+](C)[C@H]2CC[NH2+]C2)cc1 ZINC000071309575 387101499 /nfs/dbraw/zinc/10/14/99/387101499.db2.gz AMDBFXJUWXSLGW-HNNXBMFYSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH2+]C2)cc1 ZINC000071309575 387101503 /nfs/dbraw/zinc/10/15/03/387101503.db2.gz AMDBFXJUWXSLGW-HNNXBMFYSA-N 2 2 232.371 2.604 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000068987315 387109812 /nfs/dbraw/zinc/10/98/12/387109812.db2.gz MJIGUZJZHPHTDW-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000068987315 387109818 /nfs/dbraw/zinc/10/98/18/387109818.db2.gz MJIGUZJZHPHTDW-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCc2occc21 ZINC000423298850 387129280 /nfs/dbraw/zinc/12/92/80/387129280.db2.gz OZGDJEPPUHYHNN-DGCLKSJQSA-N 2 2 236.359 2.764 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000423307816 387143518 /nfs/dbraw/zinc/14/35/18/387143518.db2.gz HWBHKBBNOBNBQE-BBRMVZONSA-N 2 2 246.398 2.818 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](CCC)c1cccnc1 ZINC000423309469 387146897 /nfs/dbraw/zinc/14/68/97/387146897.db2.gz LJXSQTRKVVZARQ-CQSZACIVSA-N 2 2 235.375 2.512 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccsc1 ZINC000423311048 387148786 /nfs/dbraw/zinc/14/87/86/387148786.db2.gz OYXOIKCVVAPGLS-LBPRGKRZSA-N 2 2 226.389 2.788 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1c2ccccc2C[C@H]1C ZINC000423311781 387149099 /nfs/dbraw/zinc/14/90/99/387149099.db2.gz QOVVXOOYRAQOLH-IUODEOHRSA-N 2 2 232.371 2.509 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1CCCc2sccc21 ZINC000423313510 387151439 /nfs/dbraw/zinc/15/14/39/387151439.db2.gz UNTGTKABLRRXCA-LBPRGKRZSA-N 2 2 238.400 2.715 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH+]1CCCCC1)[C@H]1C[C@@H]1C ZINC000322139211 387153089 /nfs/dbraw/zinc/15/30/89/387153089.db2.gz GKOGAPAFSLDTIY-XGUBFFRZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1csc(Cl)c1 ZINC000423315941 387155897 /nfs/dbraw/zinc/15/58/97/387155897.db2.gz JHOCGDPOYIISKR-OIBJUYFYSA-N 2 2 244.791 2.789 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1CCCNc2ccccc21 ZINC000423316013 387156889 /nfs/dbraw/zinc/15/68/89/387156889.db2.gz XTXOQTYAHXYZOE-HNNXBMFYSA-N 2 2 247.386 2.523 20 0 BFADLP CCOc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423317681 387158459 /nfs/dbraw/zinc/15/84/59/387158459.db2.gz CXEJWBHRVHNPKP-GFCCVEGCSA-N 2 2 248.370 2.617 20 0 BFADLP CCOc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423317684 387160098 /nfs/dbraw/zinc/16/00/98/387160098.db2.gz CXEJWBHRVHNPKP-LBPRGKRZSA-N 2 2 248.370 2.617 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)s1 ZINC000423328436 387170493 /nfs/dbraw/zinc/17/04/93/387170493.db2.gz OCIFFDQNAIVMOQ-SFYZADRCSA-N 2 2 232.780 2.789 20 0 BFADLP Cc1ccc2cc([C@H](C)[NH2+][C@H](C)C[NH3+])oc2c1 ZINC000423329102 387172288 /nfs/dbraw/zinc/17/22/88/387172288.db2.gz ONEDRIINGBPOOV-MNOVXSKESA-N 2 2 232.327 2.739 20 0 BFADLP Cc1ccc([C@H]([NH2+]CC2([NH3+])CCC2)C2CCC2)o1 ZINC000423333702 387180443 /nfs/dbraw/zinc/18/04/43/387180443.db2.gz SCKLPZSRROJQNI-CQSZACIVSA-N 2 2 248.370 2.900 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1Cl ZINC000423335329 387183781 /nfs/dbraw/zinc/18/37/81/387183781.db2.gz XDPIFORTQRQOID-NOZJJQNGSA-N 2 2 238.762 2.728 20 0 BFADLP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccccc1Cl ZINC000423335334 387184001 /nfs/dbraw/zinc/18/40/01/387184001.db2.gz XDPIFORTQRQOID-ZANVPECISA-N 2 2 238.762 2.728 20 0 BFADLP Cc1cccn2c(C[NH2+]C[C@@H]3CC34CC4)c[nH+]c12 ZINC000418104555 387133447 /nfs/dbraw/zinc/13/34/47/387133447.db2.gz XAXYOROOLSVTEG-LBPRGKRZSA-N 2 2 241.338 2.532 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cnccc1C ZINC000423304740 387140268 /nfs/dbraw/zinc/14/02/68/387140268.db2.gz ZIBZVKYQYHBEQK-OLZOCXBDSA-N 2 2 235.375 2.558 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423357155 387208834 /nfs/dbraw/zinc/20/88/34/387208834.db2.gz LRAYEBKBQQAXIN-YWPYICTPSA-N 2 2 230.355 2.577 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C1CC1 ZINC000300417989 387210133 /nfs/dbraw/zinc/21/01/33/387210133.db2.gz CIDOOYDWYRYVHM-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C1CC1 ZINC000300417989 387210137 /nfs/dbraw/zinc/21/01/37/387210137.db2.gz CIDOOYDWYRYVHM-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2C)c2ccccc21 ZINC000423366236 387218352 /nfs/dbraw/zinc/21/83/52/387218352.db2.gz QAVAPBXAFIESAO-AVRGHOLYSA-N 2 2 244.382 2.823 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000423368962 387220182 /nfs/dbraw/zinc/22/01/82/387220182.db2.gz BMGAUDOYVIXLNT-DOMZBBRYSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@@H](Nc1cc(C2CC2)cc[nH+]1)c1[nH+]ccn1C ZINC000353580191 387234247 /nfs/dbraw/zinc/23/42/47/387234247.db2.gz WJOKQENDFBEORS-SNVBAGLBSA-N 2 2 242.326 2.866 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC000336369713 387201841 /nfs/dbraw/zinc/20/18/41/387201841.db2.gz ASKDYANSXZTOOL-CQSZACIVSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2CCCCC2)C1 ZINC000336369713 387201842 /nfs/dbraw/zinc/20/18/42/387201842.db2.gz ASKDYANSXZTOOL-CQSZACIVSA-N 2 2 247.386 2.790 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000423462185 387311439 /nfs/dbraw/zinc/31/14/39/387311439.db2.gz KPCKIKOENSAQBM-JGVFFNPUSA-N 2 2 232.780 2.789 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423464008 387312928 /nfs/dbraw/zinc/31/29/28/387312928.db2.gz LRTGKICUOGETRW-SRVKXCTJSA-N 2 2 243.354 2.621 20 0 BFADLP CC(C)C[C@H]([NH2+]CC[NH+](C)C)c1ccccc1 ZINC000021956445 387254046 /nfs/dbraw/zinc/25/40/46/387254046.db2.gz MMJUZQHADBBUHR-HNNXBMFYSA-N 2 2 234.387 2.925 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cc(C)oc1C ZINC000423374722 387254204 /nfs/dbraw/zinc/25/42/04/387254204.db2.gz IESXVNDOMBQSIN-MWLCHTKSSA-N 2 2 224.348 2.545 20 0 BFADLP C[C@@H](C[NH3+])[NH2+][C@H]1C[C@H](C)Sc2sccc21 ZINC000423374420 387254438 /nfs/dbraw/zinc/25/44/38/387254438.db2.gz SVJJIWAKMCKMLA-NRPADANISA-N 2 2 242.413 2.610 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cs1 ZINC000423374614 387255535 /nfs/dbraw/zinc/25/55/35/387255535.db2.gz XHOYQPQHFONUTH-CDMKHQONSA-N 2 2 238.400 2.705 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423377420 387259654 /nfs/dbraw/zinc/25/96/54/387259654.db2.gz YSDGIKSAWLJMDS-YDHLFZDLSA-N 2 2 232.371 2.644 20 0 BFADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(C)c1 ZINC000285534914 387271157 /nfs/dbraw/zinc/27/11/57/387271157.db2.gz FRPAPAVTISARTN-OAHLLOKOSA-N 2 2 243.354 2.932 20 0 BFADLP C[N@H+](Cc1cccc2[nH+]ccn21)C1CC(C)(C)C1 ZINC000459730199 387275824 /nfs/dbraw/zinc/27/58/24/387275824.db2.gz JZKCLMMKPJMMKQ-UHFFFAOYSA-N 2 2 243.354 2.955 20 0 BFADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C1CC(C)(C)C1 ZINC000459730199 387275828 /nfs/dbraw/zinc/27/58/28/387275828.db2.gz JZKCLMMKPJMMKQ-UHFFFAOYSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000321703074 387293465 /nfs/dbraw/zinc/29/34/65/387293465.db2.gz UDCWUJTWNMHCTH-IJEWVQPXSA-N 2 2 246.398 2.753 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000321703074 387293470 /nfs/dbraw/zinc/29/34/70/387293470.db2.gz UDCWUJTWNMHCTH-IJEWVQPXSA-N 2 2 246.398 2.753 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000321703073 387293841 /nfs/dbraw/zinc/29/38/41/387293841.db2.gz UDCWUJTWNMHCTH-IIAWOOMASA-N 2 2 246.398 2.753 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@@H]1C[C@H]1C ZINC000321703073 387293846 /nfs/dbraw/zinc/29/38/46/387293846.db2.gz UDCWUJTWNMHCTH-IIAWOOMASA-N 2 2 246.398 2.753 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])c1ccccc1F ZINC000423448560 387296491 /nfs/dbraw/zinc/29/64/91/387296491.db2.gz QLFMXWQZTBQTJX-NRUUGDAUSA-N 2 2 224.323 2.602 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2n1)[C@H](C)[NH3+] ZINC000423450725 387299594 /nfs/dbraw/zinc/29/95/94/387299594.db2.gz UCKLVFGHKDZYCP-TUAOUCFPSA-N 2 2 243.354 2.621 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccccc1F ZINC000423458214 387306185 /nfs/dbraw/zinc/30/61/85/387306185.db2.gz GQYQEOWTWBFQSN-MFKMUULPSA-N 2 2 224.323 2.604 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1cc(F)ccc1F ZINC000423461009 387308305 /nfs/dbraw/zinc/30/83/05/387308305.db2.gz JEFOWYNRRKVRBK-MFKMUULPSA-N 2 2 242.313 2.743 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1cc(F)ccc1F ZINC000423461008 387308680 /nfs/dbraw/zinc/30/86/80/387308680.db2.gz JEFOWYNRRKVRBK-GXFFZTMASA-N 2 2 242.313 2.743 20 0 BFADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(Cl)cc2)n1C ZINC000515312960 387359042 /nfs/dbraw/zinc/35/90/42/387359042.db2.gz WCPBONKFXXPPKZ-UHFFFAOYSA-N 2 2 249.745 2.672 20 0 BFADLP CCC[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1ccccn1 ZINC000643453348 387368793 /nfs/dbraw/zinc/36/87/93/387368793.db2.gz BMPAQCDAZFXNLZ-IPYPFGDCSA-N 2 2 247.386 2.653 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCC[NH2+]C1 ZINC000423545786 387370446 /nfs/dbraw/zinc/37/04/46/387370446.db2.gz DRUABDQARUHPEV-BBRMVZONSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000423551680 387372624 /nfs/dbraw/zinc/37/26/24/387372624.db2.gz JJIRRJSANCCXMK-UKRRQHHQSA-N 2 2 232.371 2.788 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)CC2 ZINC000423565618 387377050 /nfs/dbraw/zinc/37/70/50/387377050.db2.gz SPQABOVVAPYEGA-ZBFHGGJFSA-N 2 2 244.382 2.714 20 0 BFADLP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1ccco1 ZINC000373517510 387377370 /nfs/dbraw/zinc/37/73/70/387377370.db2.gz ASZCETKSXSSKKB-HSBZDZAISA-N 2 2 248.370 2.947 20 0 BFADLP C[C@@H]1c2ccsc2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000336555621 387377691 /nfs/dbraw/zinc/37/76/91/387377691.db2.gz JSFZKJHSSRPZPA-LLVKDONJSA-N 2 2 247.367 2.564 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000423472443 387320294 /nfs/dbraw/zinc/32/02/94/387320294.db2.gz QEBWCLXWBSTLAA-DGCLKSJQSA-N 2 2 243.354 2.623 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000423476448 387325450 /nfs/dbraw/zinc/32/54/50/387325450.db2.gz SMECKGMCFXBKKV-CSMHCCOUSA-N 2 2 232.780 2.788 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)o1 ZINC000423497924 387341098 /nfs/dbraw/zinc/34/10/98/387341098.db2.gz ALULPDWTJJNARW-DGCLKSJQSA-N 2 2 236.359 2.756 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)o1 ZINC000423497926 387341390 /nfs/dbraw/zinc/34/13/90/387341390.db2.gz ALULPDWTJJNARW-YPMHNXCESA-N 2 2 236.359 2.756 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000423497877 387341472 /nfs/dbraw/zinc/34/14/72/387341472.db2.gz HNNPNVUCQGOEJW-AVRGHOLYSA-N 2 2 246.398 2.883 20 0 BFADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643500877 387347476 /nfs/dbraw/zinc/34/74/76/387347476.db2.gz DICTYSBAZMFQPF-UKRRQHHQSA-N 2 2 248.345 2.545 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H](C)CC ZINC000423515313 387350754 /nfs/dbraw/zinc/35/07/54/387350754.db2.gz XIRQTPZKFWITOS-SMDDNHRTSA-N 2 2 220.360 2.637 20 0 BFADLP CC(C)CC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374197361 387430047 /nfs/dbraw/zinc/43/00/47/387430047.db2.gz CNIYUALUURMZOG-UHFFFAOYSA-N 2 2 221.348 2.635 20 0 BFADLP CC(C)CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1CC1 ZINC000304283264 387456524 /nfs/dbraw/zinc/45/65/24/387456524.db2.gz FQPWPLBFGLKLEA-GXTWGEPZSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CC[NH2+]C2CC2)c(C)s1 ZINC000643506318 387457191 /nfs/dbraw/zinc/45/71/91/387457191.db2.gz RWBMROABXUMYCA-SNVBAGLBSA-N 2 2 238.400 2.768 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2ccccc2Cl)C1 ZINC000515499420 387391111 /nfs/dbraw/zinc/39/11/11/387391111.db2.gz NGMBUMCZZFQCPH-UHFFFAOYSA-N 2 2 238.762 2.522 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCC[C@H]1F ZINC000354657153 387413118 /nfs/dbraw/zinc/41/31/18/387413118.db2.gz PLHSZJKDVUIKFH-KGLIPLIRSA-N 2 2 236.334 2.803 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC(C)(C)CC(C)C)n1C ZINC000572424519 387418072 /nfs/dbraw/zinc/41/80/72/387418072.db2.gz JJJDHMPXGLFAQN-UHFFFAOYSA-N 2 2 237.391 2.890 20 0 BFADLP C[C@@H]([NH2+]Cc1cc2ccccc2o1)[C@@H]1CCC[NH2+]1 ZINC000643455938 387497182 /nfs/dbraw/zinc/49/71/82/387497182.db2.gz AQHNEWQIUVRKLF-RISCZKNCSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000300419235 387520519 /nfs/dbraw/zinc/52/05/19/387520519.db2.gz UABLXLRQWPSIGD-CXTNEJHOSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000300419235 387520522 /nfs/dbraw/zinc/52/05/22/387520522.db2.gz UABLXLRQWPSIGD-CXTNEJHOSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]([NH2+]Cc1cccc(-n2cc[nH+]c2)c1)C1CC1 ZINC000361482560 387469536 /nfs/dbraw/zinc/46/95/36/387469536.db2.gz XVNUDIWSRMNAOM-GFCCVEGCSA-N 2 2 241.338 2.760 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccccc1 ZINC000643507287 387475104 /nfs/dbraw/zinc/47/51/04/387475104.db2.gz YCSGOBQYCGKMDK-OAHLLOKOSA-N 2 2 232.371 2.725 20 0 BFADLP Fc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)CCC2 ZINC000643507031 387475716 /nfs/dbraw/zinc/47/57/16/387475716.db2.gz QGXFNFKAKMJKRV-OAHLLOKOSA-N 2 2 248.345 2.545 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000304405704 387476855 /nfs/dbraw/zinc/47/68/55/387476855.db2.gz OVUJAIXUUZWCCR-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000304405704 387476860 /nfs/dbraw/zinc/47/68/60/387476860.db2.gz OVUJAIXUUZWCCR-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1CCC1 ZINC000355126427 387483419 /nfs/dbraw/zinc/48/34/19/387483419.db2.gz RNGNOEYGIDTAMK-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1CCC1 ZINC000355126427 387483423 /nfs/dbraw/zinc/48/34/23/387483423.db2.gz RNGNOEYGIDTAMK-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000336711128 387580418 /nfs/dbraw/zinc/58/04/18/387580418.db2.gz PJALEGRTVLYUGA-HUUCEWRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CC1 ZINC000336711128 387580422 /nfs/dbraw/zinc/58/04/22/387580422.db2.gz PJALEGRTVLYUGA-HUUCEWRRSA-N 2 2 238.419 2.885 20 0 BFADLP c1cc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc(C2CC2)c1 ZINC000422555947 387598323 /nfs/dbraw/zinc/59/83/23/387598323.db2.gz ROHFCEHLOPTFBW-MRXNPFEDSA-N 2 2 244.382 2.796 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000422552927 387598731 /nfs/dbraw/zinc/59/87/31/387598731.db2.gz IQGLDSYRQUBAKY-WBMJQRKESA-N 2 2 244.382 2.652 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cnc(C)s1 ZINC000643514494 387599201 /nfs/dbraw/zinc/59/92/01/387599201.db2.gz GYMPSWVWKCGWSF-GXSJLCMTSA-N 2 2 241.404 2.620 20 0 BFADLP CC(C)C1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120458444 387567681 /nfs/dbraw/zinc/56/76/81/387567681.db2.gz NDIPQZTXNJIOAE-STQMWFEESA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)C1(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120458444 387567687 /nfs/dbraw/zinc/56/76/87/387567687.db2.gz NDIPQZTXNJIOAE-STQMWFEESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313261382 387634703 /nfs/dbraw/zinc/63/47/03/387634703.db2.gz AHFVTYVYGXTRPV-OLZOCXBDSA-N 2 2 235.375 2.521 20 0 BFADLP CC[NH+]1CCC([N@H+](C)Cc2occc2C)CC1 ZINC000125265862 387648173 /nfs/dbraw/zinc/64/81/73/387648173.db2.gz WBTQBRHOUWNENU-UHFFFAOYSA-N 2 2 236.359 2.504 20 0 BFADLP CC[NH+]1CCC([N@@H+](C)Cc2occc2C)CC1 ZINC000125265862 387648178 /nfs/dbraw/zinc/64/81/78/387648178.db2.gz WBTQBRHOUWNENU-UHFFFAOYSA-N 2 2 236.359 2.504 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)c1 ZINC000422788483 387652917 /nfs/dbraw/zinc/65/29/17/387652917.db2.gz VLNNVIZGCHOIAH-WBMJQRKESA-N 2 2 246.398 2.699 20 0 BFADLP CC1=C[C@@H](C)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000430878319 387656277 /nfs/dbraw/zinc/65/62/77/387656277.db2.gz IHXUEYSCLJAYJL-GFCCVEGCSA-N 2 2 241.338 2.732 20 0 BFADLP CC1=C[C@@H](C)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000430878319 387656281 /nfs/dbraw/zinc/65/62/81/387656281.db2.gz IHXUEYSCLJAYJL-GFCCVEGCSA-N 2 2 241.338 2.732 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)[C@@H]1CCC[NH2+]1 ZINC000422765391 387666744 /nfs/dbraw/zinc/66/67/44/387666744.db2.gz PDMWVSDLWSNISO-ONERCXAPSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CSc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422770033 387671311 /nfs/dbraw/zinc/67/13/11/387671311.db2.gz WFFWOBMLDAXLRQ-RAIGVLPGSA-N 2 2 248.395 2.564 20 0 BFADLP C[C@H]([NH2+][C@@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422770036 387671565 /nfs/dbraw/zinc/67/15/65/387671565.db2.gz WFFWOBMLDAXLRQ-WCFLWFBJSA-N 2 2 248.395 2.564 20 0 BFADLP c1ccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CCCC2)cc1 ZINC000422788151 387689364 /nfs/dbraw/zinc/68/93/64/387689364.db2.gz SEAHPIKMMQHIOQ-CVEARBPZSA-N 2 2 244.382 2.869 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC000527751689 387691882 /nfs/dbraw/zinc/69/18/82/387691882.db2.gz KMYOOVFHWKWHMZ-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC000527751689 387691886 /nfs/dbraw/zinc/69/18/86/387691886.db2.gz KMYOOVFHWKWHMZ-DOMZBBRYSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527750320 387692565 /nfs/dbraw/zinc/69/25/65/387692565.db2.gz ARAOMHZJVDBDKV-CQSZACIVSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527750320 387692571 /nfs/dbraw/zinc/69/25/71/387692571.db2.gz ARAOMHZJVDBDKV-CQSZACIVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1)C1CC1 ZINC000527751694 387693336 /nfs/dbraw/zinc/69/33/36/387693336.db2.gz KMYOOVFHWKWHMZ-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C1CCCCC1)C1CC1 ZINC000527751694 387693344 /nfs/dbraw/zinc/69/33/44/387693344.db2.gz KMYOOVFHWKWHMZ-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H](F)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000440796399 387693995 /nfs/dbraw/zinc/69/39/95/387693995.db2.gz WTJICABZALLJGE-ZIAGYGMSSA-N 2 2 242.382 2.542 20 0 BFADLP CC[C@@H](F)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000440796399 387694007 /nfs/dbraw/zinc/69/40/07/387694007.db2.gz WTJICABZALLJGE-ZIAGYGMSSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000222011016 387747890 /nfs/dbraw/zinc/74/78/90/387747890.db2.gz PKACJYPSRDZOPD-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C(C)(C)C ZINC000222011016 387747896 /nfs/dbraw/zinc/74/78/96/387747896.db2.gz PKACJYPSRDZOPD-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)[C@H]1CC12CC2 ZINC000527850453 387754191 /nfs/dbraw/zinc/75/41/91/387754191.db2.gz SJIGUPPFXULIAW-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP CCC[NH+]1CCC([N@H+](C)C[C@@H](F)CC)CC1 ZINC000440784306 387696805 /nfs/dbraw/zinc/69/68/05/387696805.db2.gz MVCPXLJUDJJZDT-LBPRGKRZSA-N 2 2 230.371 2.541 20 0 BFADLP CCC[NH+]1CCC([N@@H+](C)C[C@@H](F)CC)CC1 ZINC000440784306 387696810 /nfs/dbraw/zinc/69/68/10/387696810.db2.gz MVCPXLJUDJJZDT-LBPRGKRZSA-N 2 2 230.371 2.541 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)C(C)(C)C ZINC000163521373 387696973 /nfs/dbraw/zinc/69/69/73/387696973.db2.gz CCNXQINOZKKPQM-LBPRGKRZSA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)C(C)(C)C ZINC000163521373 387696975 /nfs/dbraw/zinc/69/69/75/387696975.db2.gz CCNXQINOZKKPQM-LBPRGKRZSA-N 2 2 214.397 2.743 20 0 BFADLP CC[NH+](CC)CCC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000528772112 387704375 /nfs/dbraw/zinc/70/43/75/387704375.db2.gz KPSNBZQNWYZNOI-GFCCVEGCSA-N 2 2 248.361 2.838 20 0 BFADLP CC[NH+](CC)CCC[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528772112 387704383 /nfs/dbraw/zinc/70/43/83/387704383.db2.gz KPSNBZQNWYZNOI-GFCCVEGCSA-N 2 2 248.361 2.838 20 0 BFADLP CCC[C@H](CC)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439019 387711814 /nfs/dbraw/zinc/71/18/14/387711814.db2.gz RATUDDWQXMRVGL-LBPRGKRZSA-N 2 2 235.375 2.888 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000527786360 387711973 /nfs/dbraw/zinc/71/19/73/387711973.db2.gz DXOMUIMBEFINDP-ILXRZTDVSA-N 2 2 248.414 2.948 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000527786360 387711976 /nfs/dbraw/zinc/71/19/76/387711976.db2.gz DXOMUIMBEFINDP-ILXRZTDVSA-N 2 2 248.414 2.948 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000157193304 387766488 /nfs/dbraw/zinc/76/64/88/387766488.db2.gz MBYPYISMCCBZBV-AVGNSLFASA-N 2 2 224.392 2.780 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000157193304 387766490 /nfs/dbraw/zinc/76/64/90/387766490.db2.gz MBYPYISMCCBZBV-AVGNSLFASA-N 2 2 224.392 2.780 20 0 BFADLP CCSc1ccccc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528341 387767122 /nfs/dbraw/zinc/76/71/22/387767122.db2.gz HGBMTKJPWOFPMR-QWRGUYRKSA-N 2 2 238.400 2.796 20 0 BFADLP CSc1ccc([C@H](C)[NH2+]C[C@H](C)[NH3+])cc1F ZINC000643528813 387772373 /nfs/dbraw/zinc/77/23/73/387772373.db2.gz PETBILZUPNBKTR-IUCAKERBSA-N 2 2 242.363 2.545 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423000968 387805645 /nfs/dbraw/zinc/80/56/45/387805645.db2.gz HFHKDZOVMRVGRF-JMSVASOKSA-N 2 2 230.355 2.577 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]1)c1cccs1 ZINC000422951571 387807310 /nfs/dbraw/zinc/80/73/10/387807310.db2.gz ZBTRBRIAFULPIU-IJLUTSLNSA-N 2 2 238.400 2.929 20 0 BFADLP C[C@@H]([NH2+]C1(c2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422960195 387810991 /nfs/dbraw/zinc/81/09/91/387810991.db2.gz VPFBGSGZZWKDTQ-BXUZGUMPSA-N 2 2 248.345 2.545 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)C1CC1 ZINC000528012171 387823352 /nfs/dbraw/zinc/82/33/52/387823352.db2.gz OLVQQQIVZMPZLA-LSDHHAIUSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)C1CC1 ZINC000528012171 387823358 /nfs/dbraw/zinc/82/33/58/387823358.db2.gz OLVQQQIVZMPZLA-LSDHHAIUSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+]Cc1coc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422974721 387824216 /nfs/dbraw/zinc/82/42/16/387824216.db2.gz ABQMDNSFJQTHBO-RISCZKNCSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1cc[nH+]c(NCc2c[nH+]cn2C(C)C)c1 ZINC000424158062 387834218 /nfs/dbraw/zinc/83/42/18/387834218.db2.gz QHJTXNLHYWPUNT-UHFFFAOYSA-N 2 2 230.315 2.780 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000648432433 387844131 /nfs/dbraw/zinc/84/41/31/387844131.db2.gz JJNHRRPEBJFUMO-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000648432433 387844136 /nfs/dbraw/zinc/84/41/36/387844136.db2.gz JJNHRRPEBJFUMO-TUVASFSCSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)[NH+](C)C ZINC000061839069 387847468 /nfs/dbraw/zinc/84/74/68/387847468.db2.gz AKXDIVGFWGDWMF-CYBMUJFWSA-N 2 2 228.424 2.989 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423047801 387858598 /nfs/dbraw/zinc/85/85/98/387858598.db2.gz HCESSVGXKUYMAI-XJKSGUPXSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000423082526 387878113 /nfs/dbraw/zinc/87/81/13/387878113.db2.gz XCNVBYLATVYAMO-MLGOLLRUSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423082527 387878713 /nfs/dbraw/zinc/87/87/13/387878713.db2.gz XCNVBYLATVYAMO-WBMJQRKESA-N 2 2 244.382 2.794 20 0 BFADLP CC[C@@H]([NH2+]Cc1cscc1C)[C@@H]1CCC[NH2+]1 ZINC000423086365 387881525 /nfs/dbraw/zinc/88/15/25/387881525.db2.gz LURIJQIYKDZRLV-OLZOCXBDSA-N 2 2 238.400 2.677 20 0 BFADLP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423090094 387883307 /nfs/dbraw/zinc/88/33/07/387883307.db2.gz WUZDMELKQXRBIF-DAXOMENPSA-N 2 2 244.382 2.823 20 0 BFADLP C[C@@H]1CCCC[C@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000044353258 387936403 /nfs/dbraw/zinc/93/64/03/387936403.db2.gz IFVRMNIVDLEZGP-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000221161261 387928874 /nfs/dbraw/zinc/92/88/74/387928874.db2.gz BKPUHTYVBGSODO-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000221161261 387928879 /nfs/dbraw/zinc/92/88/79/387928879.db2.gz BKPUHTYVBGSODO-MRXNPFEDSA-N 2 2 246.398 2.994 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[NH2+]C2)c2ccccc12 ZINC000423167943 387952282 /nfs/dbraw/zinc/95/22/82/387952282.db2.gz GGPXBVXMPUWLRN-AWEZNQCLSA-N 2 2 240.350 2.600 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[N@H+]1CC=CCC1 ZINC000392253411 387948338 /nfs/dbraw/zinc/94/83/38/387948338.db2.gz HBSRTHVBHYVFCP-CYBMUJFWSA-N 2 2 224.392 2.663 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+]CC[N@@H+]1CC=CCC1 ZINC000392253411 387948344 /nfs/dbraw/zinc/94/83/44/387948344.db2.gz HBSRTHVBHYVFCP-CYBMUJFWSA-N 2 2 224.392 2.663 20 0 BFADLP C1=CC[C@@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000245553857 387960749 /nfs/dbraw/zinc/96/07/49/387960749.db2.gz GIVQUGXDIINDBI-HZPDHXFCSA-N 2 2 248.414 2.903 20 0 BFADLP C1=CC[C@@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000245553857 387960753 /nfs/dbraw/zinc/96/07/53/387960753.db2.gz GIVQUGXDIINDBI-HZPDHXFCSA-N 2 2 248.414 2.903 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)CCC=C(C)C ZINC000158771982 387961581 /nfs/dbraw/zinc/96/15/81/387961581.db2.gz BFRGGQYFFDAOKI-CYBMUJFWSA-N 2 2 212.381 2.663 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)CCC=C(C)C ZINC000158771982 387961585 /nfs/dbraw/zinc/96/15/85/387961585.db2.gz BFRGGQYFFDAOKI-CYBMUJFWSA-N 2 2 212.381 2.663 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245572058 387962567 /nfs/dbraw/zinc/96/25/67/387962567.db2.gz GVZLYTHIPYGYCF-IHRRRGAJSA-N 2 2 235.375 2.812 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245572058 387962581 /nfs/dbraw/zinc/96/25/81/387962581.db2.gz GVZLYTHIPYGYCF-IHRRRGAJSA-N 2 2 235.375 2.812 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245572062 387962723 /nfs/dbraw/zinc/96/27/23/387962723.db2.gz GVZLYTHIPYGYCF-MJBXVCDLSA-N 2 2 235.375 2.812 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245572062 387962727 /nfs/dbraw/zinc/96/27/27/387962727.db2.gz GVZLYTHIPYGYCF-MJBXVCDLSA-N 2 2 235.375 2.812 20 0 BFADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccco1 ZINC000045094615 387963160 /nfs/dbraw/zinc/96/31/60/387963160.db2.gz IVVIMEDJFMUINE-GFCCVEGCSA-N 2 2 233.315 2.607 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1F ZINC000423194811 387979764 /nfs/dbraw/zinc/97/97/64/387979764.db2.gz RRKONXQNRSEBIS-SMDDNHRTSA-N 2 2 236.334 2.618 20 0 BFADLP CCC[C@@H]([NH2+]CC[N@H+](C)CC)C(C)(C)C ZINC000453079060 387980351 /nfs/dbraw/zinc/98/03/51/387980351.db2.gz OFNVMHHXYVCZPU-GFCCVEGCSA-N 2 2 214.397 2.743 20 0 BFADLP CCC[C@@H]([NH2+]CC[N@@H+](C)CC)C(C)(C)C ZINC000453079060 387980353 /nfs/dbraw/zinc/98/03/53/387980353.db2.gz OFNVMHHXYVCZPU-GFCCVEGCSA-N 2 2 214.397 2.743 20 0 BFADLP CCC(CC)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250745370 135058211 /nfs/dbraw/zinc/05/82/11/135058211.db2.gz PZLFEEICRMRDSB-WCQYABFASA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C(C)(C)C ZINC000453114543 387987975 /nfs/dbraw/zinc/98/79/75/387987975.db2.gz VWMCEYFNEADEED-RYUDHWBXSA-N 2 2 214.397 2.741 20 0 BFADLP CCCC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000423207791 387993851 /nfs/dbraw/zinc/99/38/51/387993851.db2.gz SGZQJIFOKHZFEW-GJZGRUSLSA-N 2 2 232.371 2.869 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C(C)(C)C ZINC000453144657 387997077 /nfs/dbraw/zinc/99/70/77/387997077.db2.gz KOMYJVJYNFTZLF-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C(C)(C)C ZINC000453144657 387997082 /nfs/dbraw/zinc/99/70/82/387997082.db2.gz KOMYJVJYNFTZLF-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000423223436 388006341 /nfs/dbraw/zinc/00/63/41/388006341.db2.gz GMBWSNGKYYQUMK-LLVKDONJSA-N 2 2 232.327 2.611 20 0 BFADLP CCc1ccc([C@@H]([NH2+]CC[NH2+]C)C(C)C)cc1 ZINC000423224748 388007656 /nfs/dbraw/zinc/00/76/56/388007656.db2.gz KDHFEWOVKDJPDL-HNNXBMFYSA-N 2 2 234.387 2.755 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CCC2 ZINC000423241689 388024246 /nfs/dbraw/zinc/02/42/46/388024246.db2.gz VFASNZMTINKJQS-GDBMZVCRSA-N 2 2 244.382 2.714 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000423227234 388011741 /nfs/dbraw/zinc/01/17/41/388011741.db2.gz VAGLYJHDIRIIHU-CYBMUJFWSA-N 2 2 238.762 2.600 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1csc(Cl)c1 ZINC000423232230 388016452 /nfs/dbraw/zinc/01/64/52/388016452.db2.gz HWNMDJTTWDSUTH-WPRPVWTQSA-N 2 2 244.791 2.804 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCC2 ZINC000423235531 388017976 /nfs/dbraw/zinc/01/79/76/388017976.db2.gz NGZQAOXVNDPJNH-BLLLJJGKSA-N 2 2 244.382 2.578 20 0 BFADLP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423233834 388018008 /nfs/dbraw/zinc/01/80/08/388018008.db2.gz KMDLPRATBYASNC-DZGCQCFKSA-N 2 2 248.345 2.545 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000423242949 388025940 /nfs/dbraw/zinc/02/59/40/388025940.db2.gz JSVPSFYVKLYCBM-CQSZACIVSA-N 2 2 232.371 2.608 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423235017 388018156 /nfs/dbraw/zinc/01/81/56/388018156.db2.gz AHSFCIYTAJENOX-MNOVXSKESA-N 2 2 240.778 2.641 20 0 BFADLP [NH3+][C@H](C[NH2+]C1CCC2(CC2)CC1)c1ccccc1 ZINC000423236466 388020529 /nfs/dbraw/zinc/02/05/29/388020529.db2.gz HFWQANJDKXMXNI-OAHLLOKOSA-N 2 2 244.382 2.999 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423236920 388020720 /nfs/dbraw/zinc/02/07/20/388020720.db2.gz PEYYUFHBYXBPEC-TYNCELHUSA-N 2 2 230.355 2.577 20 0 BFADLP [NH3+][C@@H](C[NH2+][C@@H](C1CC1)C1CCC1)c1ccccc1 ZINC000423251202 388032781 /nfs/dbraw/zinc/03/27/81/388032781.db2.gz ROVQWTZDSQKHGZ-JKSUJKDBSA-N 2 2 244.382 2.855 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000423250927 388033067 /nfs/dbraw/zinc/03/30/67/388033067.db2.gz VASWKPTVTWHYPY-CYBMUJFWSA-N 2 2 220.360 2.564 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000423252494 388033709 /nfs/dbraw/zinc/03/37/09/388033709.db2.gz XQJHHGOCNAVOLW-QMMMGPOBSA-N 2 2 232.780 2.662 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2c(C)ccc(C)c21 ZINC000423252209 388034359 /nfs/dbraw/zinc/03/43/59/388034359.db2.gz XLYKFWNNZMFACG-OAHLLOKOSA-N 2 2 246.398 2.880 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2=CCCC2)C1 ZINC000645827617 388037121 /nfs/dbraw/zinc/03/71/21/388037121.db2.gz XVTPJWOUCPZPCY-CQSZACIVSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2=CCCC2)C1 ZINC000645827617 388037125 /nfs/dbraw/zinc/03/71/25/388037125.db2.gz XVTPJWOUCPZPCY-CQSZACIVSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@H+](CC2=CCCC2)C1 ZINC000645827616 388037797 /nfs/dbraw/zinc/03/77/97/388037797.db2.gz XVTPJWOUCPZPCY-AWEZNQCLSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2=CCCC2)C1 ZINC000645827616 388037798 /nfs/dbraw/zinc/03/77/98/388037798.db2.gz XVTPJWOUCPZPCY-AWEZNQCLSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1F ZINC000423263333 388041695 /nfs/dbraw/zinc/04/16/95/388041695.db2.gz AXPMAXWTQSWZLR-RNCFNFMXSA-N 2 2 242.313 2.599 20 0 BFADLP [NH3+][C@@H](C[NH2+][C@@H]1CCC12CCCC2)c1ccccc1 ZINC000423244200 388026361 /nfs/dbraw/zinc/02/63/61/388026361.db2.gz NHKZQGWKDQMNNF-LSDHHAIUSA-N 2 2 244.382 2.999 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](CC)c1ccc(CC)cc1 ZINC000423245205 388028863 /nfs/dbraw/zinc/02/88/63/388028863.db2.gz LZKPGHNUQPRFSZ-OAHLLOKOSA-N 2 2 234.387 2.899 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000423244610 388028923 /nfs/dbraw/zinc/02/89/23/388028923.db2.gz LIOXPUVMROJMHM-NSHDSACASA-N 2 2 232.327 2.611 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000423246320 388030119 /nfs/dbraw/zinc/03/01/19/388030119.db2.gz ZCKGPGUGCKYFEV-AWEZNQCLSA-N 2 2 220.360 2.645 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH2+]CC)c1ccccc1 ZINC000423246560 388030296 /nfs/dbraw/zinc/03/02/96/388030296.db2.gz NVMJEDMPTNWIET-CQSZACIVSA-N 2 2 220.360 2.727 20 0 BFADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C(C)C ZINC000423248679 388031323 /nfs/dbraw/zinc/03/13/23/388031323.db2.gz RYCPKPRSNBLUON-KBPBESRZSA-N 2 2 220.360 2.711 20 0 BFADLP [NH3+][C@H](C[NH2+][C@H]1CCCC12CCC2)c1ccccc1 ZINC000423250299 388031590 /nfs/dbraw/zinc/03/15/90/388031590.db2.gz QCAMBYOYBZYDNY-CABCVRRESA-N 2 2 244.382 2.999 20 0 BFADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423276161 388056262 /nfs/dbraw/zinc/05/62/62/388056262.db2.gz MMFVODMUCHIRMC-CBAPKCEASA-N 2 2 244.791 2.789 20 0 BFADLP CC(C)C[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c1ccccn1 ZINC000423280681 388061861 /nfs/dbraw/zinc/06/18/61/388061861.db2.gz UHWZECTWNHLSIM-ZFWWWQNUSA-N 2 2 249.402 2.742 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)c(C)o1 ZINC000423283701 388066716 /nfs/dbraw/zinc/06/67/16/388066716.db2.gz XILGLACBLRCHMH-ZWNOBZJWSA-N 2 2 224.348 2.530 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)o1 ZINC000423283700 388067343 /nfs/dbraw/zinc/06/73/43/388067343.db2.gz XILGLACBLRCHMH-MFKMUULPSA-N 2 2 224.348 2.530 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453393818 388068735 /nfs/dbraw/zinc/06/87/35/388068735.db2.gz IKYKCEDDSZEKLZ-GXTWGEPZSA-N 2 2 236.403 2.663 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453393818 388068741 /nfs/dbraw/zinc/06/87/41/388068741.db2.gz IKYKCEDDSZEKLZ-GXTWGEPZSA-N 2 2 236.403 2.663 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000453402121 388073832 /nfs/dbraw/zinc/07/38/32/388073832.db2.gz PQAYSBKYUSLGML-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]CC[N@H+]1CCCC1(C)C ZINC000453402121 388073835 /nfs/dbraw/zinc/07/38/35/388073835.db2.gz PQAYSBKYUSLGML-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC(C)(C)C1)C1(C)CC1 ZINC000447577190 388079318 /nfs/dbraw/zinc/07/93/18/388079318.db2.gz GFZGQMXKDDJQJS-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCCC(C)(C)C1)C1(C)CC1 ZINC000447577190 388079322 /nfs/dbraw/zinc/07/93/22/388079322.db2.gz GFZGQMXKDDJQJS-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000084981935 388082167 /nfs/dbraw/zinc/08/21/67/388082167.db2.gz GCZINYRJEHKQIR-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000084981935 388082169 /nfs/dbraw/zinc/08/21/69/388082169.db2.gz GCZINYRJEHKQIR-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000085098480 388083988 /nfs/dbraw/zinc/08/39/88/388083988.db2.gz AHYLQZWGWYVWSR-MQYQWHSLSA-N 2 2 235.375 2.686 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447895979 388100961 /nfs/dbraw/zinc/10/09/61/388100961.db2.gz FJEPRZLIDRGCNY-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447895979 388100964 /nfs/dbraw/zinc/10/09/64/388100964.db2.gz FJEPRZLIDRGCNY-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000447905486 388101485 /nfs/dbraw/zinc/10/14/85/388101485.db2.gz UJRXXKXEILPIOK-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000447905486 388101487 /nfs/dbraw/zinc/10/14/87/388101487.db2.gz UJRXXKXEILPIOK-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)CCc1cccs1 ZINC000086442341 388102585 /nfs/dbraw/zinc/10/25/85/388102585.db2.gz PSPZSWVDYRIAGQ-LBPRGKRZSA-N 2 2 240.416 2.596 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)CCc1cccs1 ZINC000086442341 388102588 /nfs/dbraw/zinc/10/25/88/388102588.db2.gz PSPZSWVDYRIAGQ-LBPRGKRZSA-N 2 2 240.416 2.596 20 0 BFADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1Cc2ccccc2C1 ZINC000533277866 388045657 /nfs/dbraw/zinc/04/56/57/388045657.db2.gz HFJFCGXASVCTMH-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1Cc2ccccc2C1 ZINC000533277866 388045662 /nfs/dbraw/zinc/04/56/62/388045662.db2.gz HFJFCGXASVCTMH-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000449257812 388163707 /nfs/dbraw/zinc/16/37/07/388163707.db2.gz KHQOXPQENYDIPH-VXGBXAGGSA-N 2 2 235.375 2.612 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCC1 ZINC000449335977 388175006 /nfs/dbraw/zinc/17/50/06/388175006.db2.gz MICOUZUCJMDRPQ-CHWSQXEVSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCC1 ZINC000449335977 388175008 /nfs/dbraw/zinc/17/50/08/388175008.db2.gz MICOUZUCJMDRPQ-CHWSQXEVSA-N 2 2 247.386 2.825 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000449092703 388141131 /nfs/dbraw/zinc/14/11/31/388141131.db2.gz MUWYLPWWMYGWEE-MRXNPFEDSA-N 2 2 246.398 2.611 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]CCc2cccc(C)c2)C1 ZINC000449092703 388141132 /nfs/dbraw/zinc/14/11/32/388141132.db2.gz MUWYLPWWMYGWEE-MRXNPFEDSA-N 2 2 246.398 2.611 20 0 BFADLP CC[N@H+](CC[NH2+]CCc1cccc(C)c1)C1CC1 ZINC000449111995 388144632 /nfs/dbraw/zinc/14/46/32/388144632.db2.gz OUSDQIJXNOOUFG-UHFFFAOYSA-N 2 2 246.398 2.611 20 0 BFADLP CC[N@@H+](CC[NH2+]CCc1cccc(C)c1)C1CC1 ZINC000449111995 388144633 /nfs/dbraw/zinc/14/46/33/388144633.db2.gz OUSDQIJXNOOUFG-UHFFFAOYSA-N 2 2 246.398 2.611 20 0 BFADLP Cc1cccc(CC[NH2+]C[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000449135796 388146658 /nfs/dbraw/zinc/14/66/58/388146658.db2.gz RLQCUTKKBHKHDO-CQSZACIVSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[NH2+]C[C@@H](C)[N@@H+](C)C2CC2)c1 ZINC000449135796 388146660 /nfs/dbraw/zinc/14/66/60/388146660.db2.gz RLQCUTKKBHKHDO-CQSZACIVSA-N 2 2 246.398 2.610 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000449186098 388155202 /nfs/dbraw/zinc/15/52/02/388155202.db2.gz HILDDICTQOCSPU-SNPRPXQTSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000449186098 388155205 /nfs/dbraw/zinc/15/52/05/388155205.db2.gz HILDDICTQOCSPU-SNPRPXQTSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+]C[C@H](C)[NH+](C)C ZINC000449558611 388228041 /nfs/dbraw/zinc/22/80/41/388228041.db2.gz YOJXBLQDCVFGOI-AGIUHOORSA-N 2 2 214.397 2.741 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C[C@H](C)[NH+](C)C ZINC000449557454 388231801 /nfs/dbraw/zinc/23/18/01/388231801.db2.gz RMJKUDRURPLWMU-RDBSUJKOSA-N 2 2 224.392 2.519 20 0 BFADLP CC(C)[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)CC1 ZINC000459376854 388242153 /nfs/dbraw/zinc/24/21/53/388242153.db2.gz NXFBAGSNDYRNTG-AWEZNQCLSA-N 2 2 249.402 2.721 20 0 BFADLP CC(C)[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)CC1 ZINC000459376854 388242155 /nfs/dbraw/zinc/24/21/55/388242155.db2.gz NXFBAGSNDYRNTG-AWEZNQCLSA-N 2 2 249.402 2.721 20 0 BFADLP CC[C@H]1CCCC[C@H]1[N@H+](C)CCc1c[nH+]cn1C ZINC000459421311 388243955 /nfs/dbraw/zinc/24/39/55/388243955.db2.gz YRQNHGRKSBPCKV-DZGCQCFKSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCc1c[nH+]cn1C ZINC000459421311 388243956 /nfs/dbraw/zinc/24/39/56/388243956.db2.gz YRQNHGRKSBPCKV-DZGCQCFKSA-N 2 2 249.402 2.863 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1C[C@@H]1C ZINC000289229812 388350506 /nfs/dbraw/zinc/35/05/06/388350506.db2.gz KCOFSDGADFGFKD-GXTWGEPZSA-N 2 2 218.344 2.568 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1C[C@H]1C ZINC000289229820 388350762 /nfs/dbraw/zinc/35/07/62/388350762.db2.gz KCOFSDGADFGFKD-TZMCWYRMSA-N 2 2 218.344 2.568 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000163700805 388366271 /nfs/dbraw/zinc/36/62/71/388366271.db2.gz VVCZGVWAMNXKKA-UHFFFAOYSA-N 2 2 247.317 2.544 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1cccc(F)c1 ZINC000163700805 388366273 /nfs/dbraw/zinc/36/62/73/388366273.db2.gz VVCZGVWAMNXKKA-UHFFFAOYSA-N 2 2 247.317 2.544 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)s1 ZINC000235213115 388366238 /nfs/dbraw/zinc/36/62/38/388366238.db2.gz BJGCYISVCKHJDH-RKDXNWHRSA-N 2 2 244.791 2.804 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000572696575 388366443 /nfs/dbraw/zinc/36/64/43/388366443.db2.gz NWXYUMDOMPLWEV-AWEZNQCLSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000572696575 388366445 /nfs/dbraw/zinc/36/64/45/388366445.db2.gz NWXYUMDOMPLWEV-AWEZNQCLSA-N 2 2 246.398 2.897 20 0 BFADLP CSCCC[N@H+](C)CCc1cc[nH+]cc1C ZINC000572756518 388373582 /nfs/dbraw/zinc/37/35/82/388373582.db2.gz PPDDZWBAZDFALP-UHFFFAOYSA-N 2 2 238.400 2.617 20 0 BFADLP CSCCC[N@@H+](C)CCc1cc[nH+]cc1C ZINC000572756518 388373586 /nfs/dbraw/zinc/37/35/86/388373586.db2.gz PPDDZWBAZDFALP-UHFFFAOYSA-N 2 2 238.400 2.617 20 0 BFADLP C[C@H]1CCCC[C@@H]1C[NH2+]C(C)(C)C[NH+](C)C ZINC000308610034 388443269 /nfs/dbraw/zinc/44/32/69/388443269.db2.gz VYWASVIPNRCCKK-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)C1CCC1 ZINC000322686111 388443992 /nfs/dbraw/zinc/44/39/92/388443992.db2.gz KVTRPISJLRWDQG-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)C1CCC1 ZINC000322686111 388443994 /nfs/dbraw/zinc/44/39/94/388443994.db2.gz KVTRPISJLRWDQG-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000335645087 388452355 /nfs/dbraw/zinc/45/23/55/388452355.db2.gz YPBIMSAHTZUQST-WCBMZHEXSA-N 2 2 244.791 2.632 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336657329 388459533 /nfs/dbraw/zinc/45/95/33/388459533.db2.gz IGEULPPLECOKEK-IHRRRGAJSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336657329 388459534 /nfs/dbraw/zinc/45/95/34/388459534.db2.gz IGEULPPLECOKEK-IHRRRGAJSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]1CC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000336725590 388470206 /nfs/dbraw/zinc/47/02/06/388470206.db2.gz FXDCEYSJVDBKIP-UONOGXRCSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](C)C1CCCCCC1 ZINC000309978104 388470662 /nfs/dbraw/zinc/47/06/62/388470662.db2.gz UUELDGUBECFFGZ-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C1CCCCCC1 ZINC000309978104 388470666 /nfs/dbraw/zinc/47/06/66/388470666.db2.gz UUELDGUBECFFGZ-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP FCCCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336791610 388470957 /nfs/dbraw/zinc/47/09/57/388470957.db2.gz ODNOHXIJRVECDA-UHFFFAOYSA-N 2 2 247.317 2.712 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](CC)C[C@H]1C)C(C)(C)C ZINC000310006918 388472908 /nfs/dbraw/zinc/47/29/08/388472908.db2.gz HAMZSMXEQOPYEM-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](CC)C[C@H]1C)C(C)(C)C ZINC000310006918 388472911 /nfs/dbraw/zinc/47/29/11/388472911.db2.gz HAMZSMXEQOPYEM-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000513495514 388430193 /nfs/dbraw/zinc/43/01/93/388430193.db2.gz QOSXMBKLQKFXGH-JSGCOSHPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000513495514 388430196 /nfs/dbraw/zinc/43/01/96/388430196.db2.gz QOSXMBKLQKFXGH-JSGCOSHPSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+](CC)C1CC1 ZINC000167198994 388439373 /nfs/dbraw/zinc/43/93/73/388439373.db2.gz HXFQOBCBYYBKMT-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+](CC)C1CC1 ZINC000167198994 388439375 /nfs/dbraw/zinc/43/93/75/388439375.db2.gz HXFQOBCBYYBKMT-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc(C)c(C[NH2+]CC2([NH+](C)C)CC2)c(C)c1 ZINC000397826039 388502905 /nfs/dbraw/zinc/50/29/05/388502905.db2.gz AYVKDCYPZMZBGB-UHFFFAOYSA-N 2 2 246.398 2.796 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)[C@@H]1CC1(C)C ZINC000397833785 388504581 /nfs/dbraw/zinc/50/45/81/388504581.db2.gz SHFBOUNUMDWCQD-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)[C@@H]1CC1(C)C ZINC000397833785 388504583 /nfs/dbraw/zinc/50/45/83/388504583.db2.gz SHFBOUNUMDWCQD-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH+](C)C)CC1)CC2 ZINC000397845582 388504962 /nfs/dbraw/zinc/50/49/62/388504962.db2.gz IETKHORPVGHEQR-HNNXBMFYSA-N 2 2 244.382 2.666 20 0 BFADLP C[C@@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397880800 388509091 /nfs/dbraw/zinc/50/90/91/388509091.db2.gz YNQIRTNEZHVYJS-AWEZNQCLSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397880801 388509094 /nfs/dbraw/zinc/50/90/94/388509094.db2.gz YNQIRTNEZHVYJS-CQSZACIVSA-N 2 2 246.398 2.692 20 0 BFADLP C/C(Cl)=C\C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528414944 388521225 /nfs/dbraw/zinc/52/12/25/388521225.db2.gz ADCPBBLAMVJIBU-LLMHMKPQSA-N 2 2 239.750 2.732 20 0 BFADLP C/C(Cl)=C\C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000528414944 388521229 /nfs/dbraw/zinc/52/12/29/388521229.db2.gz ADCPBBLAMVJIBU-LLMHMKPQSA-N 2 2 239.750 2.732 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC000528427509 388523513 /nfs/dbraw/zinc/52/35/13/388523513.db2.gz OPHSPDFOYLGBPM-CYBMUJFWSA-N 2 2 247.386 2.646 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2CC(C)(C)C2)C1 ZINC000528427509 388523514 /nfs/dbraw/zinc/52/35/14/388523514.db2.gz OPHSPDFOYLGBPM-CYBMUJFWSA-N 2 2 247.386 2.646 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000186247144 388598641 /nfs/dbraw/zinc/59/86/41/388598641.db2.gz UQQAZYUQFFMEAJ-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000186247144 388598643 /nfs/dbraw/zinc/59/86/43/388598643.db2.gz UQQAZYUQFFMEAJ-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@@H+]1CCCC[C@@H]1CCn1cc[nH+]c1C1CC1 ZINC000530131552 388614875 /nfs/dbraw/zinc/61/48/75/388614875.db2.gz OGKUGFJTCRPTME-CYBMUJFWSA-N 2 2 233.359 2.635 20 0 BFADLP C[N@H+]1CCCC[C@@H]1CCn1cc[nH+]c1C1CC1 ZINC000530131552 388614878 /nfs/dbraw/zinc/61/48/78/388614878.db2.gz OGKUGFJTCRPTME-CYBMUJFWSA-N 2 2 233.359 2.635 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884863 388567734 /nfs/dbraw/zinc/56/77/34/388567734.db2.gz LIUYHJKVYZBJDH-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884863 388567735 /nfs/dbraw/zinc/56/77/35/388567735.db2.gz LIUYHJKVYZBJDH-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP c1cn(CCCC[NH2+][C@H]2CC[C@@H]2C2CCC2)c[nH+]1 ZINC000548884851 388567779 /nfs/dbraw/zinc/56/77/79/388567779.db2.gz KIMZGLULJKETCF-CABCVRRESA-N 2 2 247.386 2.832 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H](F)C1 ZINC000521634403 388620386 /nfs/dbraw/zinc/62/03/86/388620386.db2.gz UEYZDLCRAZWIMF-CQSZACIVSA-N 2 2 236.334 2.757 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H](F)C1 ZINC000521634403 388620388 /nfs/dbraw/zinc/62/03/88/388620388.db2.gz UEYZDLCRAZWIMF-CQSZACIVSA-N 2 2 236.334 2.757 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCC(C)(C)C2)n1C ZINC000521646264 388622021 /nfs/dbraw/zinc/62/20/21/388622021.db2.gz RXTMDRQLHQFQJE-LBPRGKRZSA-N 2 2 235.375 2.787 20 0 BFADLP CC1(C)CC(C[N@@H+]2CC3CCC2(C[NH3+])CC3)C1 ZINC000530225890 388635239 /nfs/dbraw/zinc/63/52/39/388635239.db2.gz XRGGHFAYPZVGHH-UHFFFAOYSA-N 2 2 236.403 2.626 20 0 BFADLP CC1(C)CC(C[N@H+]2CC3CCC2(C[NH3+])CC3)C1 ZINC000530225890 388635241 /nfs/dbraw/zinc/63/52/41/388635241.db2.gz XRGGHFAYPZVGHH-UHFFFAOYSA-N 2 2 236.403 2.626 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000222701773 388643172 /nfs/dbraw/zinc/64/31/72/388643172.db2.gz CJBSIFZHYZASRH-RBSFLKMASA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000222701773 388643173 /nfs/dbraw/zinc/64/31/73/388643173.db2.gz CJBSIFZHYZASRH-RBSFLKMASA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC000246824090 388652369 /nfs/dbraw/zinc/65/23/69/388652369.db2.gz BIBOMCUWNJTERV-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C1CCCC1 ZINC000246824090 388652371 /nfs/dbraw/zinc/65/23/71/388652371.db2.gz BIBOMCUWNJTERV-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CCCCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000249946902 388735502 /nfs/dbraw/zinc/73/55/02/388735502.db2.gz ZRPRVDLHTYZOOR-KGLIPLIRSA-N 2 2 224.392 2.783 20 0 BFADLP CCCCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000249946902 388735504 /nfs/dbraw/zinc/73/55/04/388735504.db2.gz ZRPRVDLHTYZOOR-KGLIPLIRSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)[N@H+](C)C1CC1 ZINC000248845519 388695073 /nfs/dbraw/zinc/69/50/73/388695073.db2.gz HSIVGWOMKRDQMJ-MBNYWOFBSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000248845519 388695075 /nfs/dbraw/zinc/69/50/75/388695075.db2.gz HSIVGWOMKRDQMJ-MBNYWOFBSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C[C@@H]1C ZINC000554094388 388799664 /nfs/dbraw/zinc/79/96/64/388799664.db2.gz DBEMWZMXPDJPCL-XQLPTFJDSA-N 2 2 240.435 2.987 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000252390778 388764465 /nfs/dbraw/zinc/76/44/65/388764465.db2.gz ODZIMJLCSOJDAI-DIEDAUMRSA-N 2 2 244.382 2.774 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC000252390778 388764470 /nfs/dbraw/zinc/76/44/70/388764470.db2.gz ODZIMJLCSOJDAI-DIEDAUMRSA-N 2 2 244.382 2.774 20 0 BFADLP CC[N@H+](C)CC[NH2+]C/C(C)=C\c1ccccc1 ZINC000523297659 388816221 /nfs/dbraw/zinc/81/62/21/388816221.db2.gz FVQISIGJOBOJPF-OWBHPGMISA-N 2 2 232.371 2.631 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C/C(C)=C\c1ccccc1 ZINC000523297659 388816226 /nfs/dbraw/zinc/81/62/26/388816226.db2.gz FVQISIGJOBOJPF-OWBHPGMISA-N 2 2 232.371 2.631 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CC[N@H+](C)C(C)C ZINC000068987624 388817990 /nfs/dbraw/zinc/81/79/90/388817990.db2.gz OSWPOBUXCIOCNI-CYBMUJFWSA-N 2 2 214.397 2.885 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CC[N@@H+](C)C(C)C ZINC000068987624 388817992 /nfs/dbraw/zinc/81/79/92/388817992.db2.gz OSWPOBUXCIOCNI-CYBMUJFWSA-N 2 2 214.397 2.885 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230994022 388833365 /nfs/dbraw/zinc/83/33/65/388833365.db2.gz ADGSOVQBECRKAF-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230994022 388833369 /nfs/dbraw/zinc/83/33/69/388833369.db2.gz ADGSOVQBECRKAF-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000556231564 388871989 /nfs/dbraw/zinc/87/19/89/388871989.db2.gz BAALVECGFXRQNH-CABCVRRESA-N 2 2 236.403 2.949 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000556231564 388871992 /nfs/dbraw/zinc/87/19/92/388871992.db2.gz BAALVECGFXRQNH-CABCVRRESA-N 2 2 236.403 2.949 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@@H]2C)n1C ZINC000565236621 388929792 /nfs/dbraw/zinc/92/97/92/388929792.db2.gz CQOPEPYEJNZUOF-OBJOEFQTSA-N 2 2 249.402 2.890 20 0 BFADLP C(=C\c1ccccc1)\C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000566087545 388986850 /nfs/dbraw/zinc/98/68/50/388986850.db2.gz DCQZZLDOJKRQEI-DAXSKMNVSA-N 2 2 242.366 2.528 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+][C@@H](C)C[NH+](C)C ZINC000342228647 533393758 /nfs/dbraw/zinc/39/37/58/533393758.db2.gz YWXIRGQWMGDODJ-ZVHGMHCTSA-N 2 2 232.371 2.630 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000486970739 533395617 /nfs/dbraw/zinc/39/56/17/533395617.db2.gz NUXQYHRKPRSPAN-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000486970739 533395620 /nfs/dbraw/zinc/39/56/20/533395620.db2.gz NUXQYHRKPRSPAN-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C(C)C ZINC000040767855 322833988 /nfs/dbraw/zinc/83/39/88/322833988.db2.gz OKHCEOFPNVWQJC-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040772009 322833818 /nfs/dbraw/zinc/83/38/18/322833818.db2.gz PKKQOBARUJSCNI-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+]C1CCC3(CC3)CC1)CC2 ZINC000336100025 134081285 /nfs/dbraw/zinc/08/12/85/134081285.db2.gz PTWHDRUEHGNUMB-CYBMUJFWSA-N 2 2 245.370 2.510 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000336171072 134115166 /nfs/dbraw/zinc/11/51/66/134115166.db2.gz BXNJOCKMGSRPJU-GWCFXTLKSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000336171072 134115167 /nfs/dbraw/zinc/11/51/67/134115167.db2.gz BXNJOCKMGSRPJU-GWCFXTLKSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCCc2ccccc21 ZINC000168726482 134247180 /nfs/dbraw/zinc/24/71/80/134247180.db2.gz UAFKXSQBFXQREU-IUODEOHRSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000218602857 134256837 /nfs/dbraw/zinc/25/68/37/134256837.db2.gz PWEYJAWMMNFJFJ-HZSPNIEDSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000218602857 134256838 /nfs/dbraw/zinc/25/68/38/134256838.db2.gz PWEYJAWMMNFJFJ-HZSPNIEDSA-N 2 2 226.408 2.870 20 0 BFADLP C(C1CCCC1)[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171745197 134260609 /nfs/dbraw/zinc/26/06/09/134260609.db2.gz NENHAUWLGQOGQY-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCC1)[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171745197 134260610 /nfs/dbraw/zinc/26/06/10/134260610.db2.gz NENHAUWLGQOGQY-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@H](C)C1)Cn1cc[nH+]c1 ZINC000174317820 134280541 /nfs/dbraw/zinc/28/05/41/134280541.db2.gz KVTSSUHHMFCBBO-MJBXVCDLSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000178041589 134302616 /nfs/dbraw/zinc/30/26/16/134302616.db2.gz MYVXDTJBIKWXAJ-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CCC1)[N@H+]1CCC[C@H](C)C1 ZINC000178041589 134302617 /nfs/dbraw/zinc/30/26/17/134302617.db2.gz MYVXDTJBIKWXAJ-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000182501057 134345688 /nfs/dbraw/zinc/34/56/88/134345688.db2.gz LUKYMYHFIQEZBR-KFWWJZLASA-N 2 2 247.386 2.784 20 0 BFADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000182501057 134345689 /nfs/dbraw/zinc/34/56/89/134345689.db2.gz LUKYMYHFIQEZBR-KFWWJZLASA-N 2 2 247.386 2.784 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000226772743 134369062 /nfs/dbraw/zinc/36/90/62/134369062.db2.gz CPSFSDCODAOPFJ-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000226772743 134369063 /nfs/dbraw/zinc/36/90/63/134369063.db2.gz CPSFSDCODAOPFJ-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)C1CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000225288765 134710935 /nfs/dbraw/zinc/71/09/35/134710935.db2.gz VQCHHQXHIBUJKI-UHFFFAOYSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000163640309 135025795 /nfs/dbraw/zinc/02/57/95/135025795.db2.gz PXDPVTLYHVLCBC-JHJVBQTASA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(C)(C)C2)C[N@H+]1C1CC1 ZINC000163640309 135025797 /nfs/dbraw/zinc/02/57/97/135025797.db2.gz PXDPVTLYHVLCBC-JHJVBQTASA-N 2 2 236.403 2.780 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000249908966 135047063 /nfs/dbraw/zinc/04/70/63/135047063.db2.gz IDAIQHIUSMOTRX-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000249908966 135047065 /nfs/dbraw/zinc/04/70/65/135047065.db2.gz IDAIQHIUSMOTRX-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000250323996 135051864 /nfs/dbraw/zinc/05/18/64/135051864.db2.gz NOTFYCJCQUMCHY-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000250323996 135051866 /nfs/dbraw/zinc/05/18/66/135051866.db2.gz NOTFYCJCQUMCHY-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000250318023 135051968 /nfs/dbraw/zinc/05/19/68/135051968.db2.gz MRRQUHASHQPKOO-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000250318023 135051969 /nfs/dbraw/zinc/05/19/69/135051969.db2.gz MRRQUHASHQPKOO-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(CC)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000250745370 135058208 /nfs/dbraw/zinc/05/82/08/135058208.db2.gz PZLFEEICRMRDSB-WCQYABFASA-N 2 2 212.381 2.624 20 0 BFADLP CCC(CC)C[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250745368 135057987 /nfs/dbraw/zinc/05/79/87/135057987.db2.gz PZLFEEICRMRDSB-AAEUAGOBSA-N 2 2 212.381 2.624 20 0 BFADLP CCC(CC)C[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000250745368 135057990 /nfs/dbraw/zinc/05/79/90/135057990.db2.gz PZLFEEICRMRDSB-AAEUAGOBSA-N 2 2 212.381 2.624 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000251622827 135072523 /nfs/dbraw/zinc/07/25/23/135072523.db2.gz FBPABDWWFFPWSI-MCIONIFRSA-N 2 2 235.375 2.830 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000251677115 135073076 /nfs/dbraw/zinc/07/30/76/135073076.db2.gz AHYLQZWGWYVWSR-SYQHCUMBSA-N 2 2 235.375 2.686 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C[C@H]1C ZINC000251649905 135073131 /nfs/dbraw/zinc/07/31/31/135073131.db2.gz FNBVURIXLJHKGF-JHJVBQTASA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000251819024 135077468 /nfs/dbraw/zinc/07/74/68/135077468.db2.gz PBZXJGKFHDGDEP-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251819024 135077470 /nfs/dbraw/zinc/07/74/70/135077470.db2.gz PBZXJGKFHDGDEP-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC(C)(C)[NH+](C)C)C[C@@H](C)C1 ZINC000252197821 135086666 /nfs/dbraw/zinc/08/66/66/135086666.db2.gz VTMYWPLXHRBBMB-ITGUQSILSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H](C)CC[C@@H]1C ZINC000252205790 135086947 /nfs/dbraw/zinc/08/69/47/135086947.db2.gz XDDAEJVJCCODAP-RFGFWPKPSA-N 2 2 235.375 2.686 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000252709177 135098570 /nfs/dbraw/zinc/09/85/70/135098570.db2.gz CFRUAAJGYAUWDV-MCIONIFRSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000252709177 135098572 /nfs/dbraw/zinc/09/85/72/135098572.db2.gz CFRUAAJGYAUWDV-MCIONIFRSA-N 2 2 226.408 2.883 20 0 BFADLP Cc1ccsc1C[NH2+]CC[NH2+]C(C)(C)C ZINC000087309976 135121883 /nfs/dbraw/zinc/12/18/83/135121883.db2.gz RDOLVQKJPUIQIS-UHFFFAOYSA-N 2 2 226.389 2.534 20 0 BFADLP [NH3+]CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000262911694 135123583 /nfs/dbraw/zinc/12/35/83/135123583.db2.gz FTPYEXAUOPBLGQ-INIZCTEOSA-N 2 2 240.350 2.935 20 0 BFADLP [NH3+]CC[N@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000262911694 135123584 /nfs/dbraw/zinc/12/35/84/135123584.db2.gz FTPYEXAUOPBLGQ-INIZCTEOSA-N 2 2 240.350 2.935 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087769469 135167309 /nfs/dbraw/zinc/16/73/09/135167309.db2.gz WYCQWLHHJPRKBL-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000087769469 135167311 /nfs/dbraw/zinc/16/73/11/135167311.db2.gz WYCQWLHHJPRKBL-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261539629 135178608 /nfs/dbraw/zinc/17/86/08/135178608.db2.gz AOXPSIFGCAFQIT-SWLSCSKDSA-N 2 2 232.371 2.589 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261539629 135178610 /nfs/dbraw/zinc/17/86/10/135178610.db2.gz AOXPSIFGCAFQIT-SWLSCSKDSA-N 2 2 232.371 2.589 20 0 BFADLP CC[N@H+](CC[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000261553552 135192797 /nfs/dbraw/zinc/19/27/97/135192797.db2.gz NZVGUCBFVUZXRP-LLVKDONJSA-N 2 2 232.327 2.774 20 0 BFADLP CC[N@@H+](CC[NH3+])[C@H](C)c1cc2ccccc2o1 ZINC000261553552 135192799 /nfs/dbraw/zinc/19/27/99/135192799.db2.gz NZVGUCBFVUZXRP-LLVKDONJSA-N 2 2 232.327 2.774 20 0 BFADLP CC[N@H+](Cc1ccc(Cl)s1)CC(C)(C)[NH3+] ZINC000261557223 135197614 /nfs/dbraw/zinc/19/76/14/135197614.db2.gz XBRYSNCRIQMHHV-UHFFFAOYSA-N 2 2 246.807 2.961 20 0 BFADLP CC[N@@H+](Cc1ccc(Cl)s1)CC(C)(C)[NH3+] ZINC000261557223 135197616 /nfs/dbraw/zinc/19/76/16/135197616.db2.gz XBRYSNCRIQMHHV-UHFFFAOYSA-N 2 2 246.807 2.961 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)[C@H](C)[NH3+] ZINC000261560463 135201032 /nfs/dbraw/zinc/20/10/32/135201032.db2.gz UQPQXISGDKZFKC-AXFHLTTASA-N 2 2 232.327 2.819 20 0 BFADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccsc1Cl ZINC000261562846 135204263 /nfs/dbraw/zinc/20/42/63/135204263.db2.gz BQVBYQNIVDLEDQ-IUCAKERBSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccsc1Cl ZINC000261562846 135204265 /nfs/dbraw/zinc/20/42/65/135204265.db2.gz BQVBYQNIVDLEDQ-IUCAKERBSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1(C)CC1 ZINC000163846859 135208590 /nfs/dbraw/zinc/20/85/90/135208590.db2.gz QZBGSPAJVGBSCN-GFCCVEGCSA-N 2 2 233.359 2.662 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+]CC1CCCCCC1 ZINC000084328344 135211534 /nfs/dbraw/zinc/21/15/34/135211534.db2.gz HVAZOKYTGADUOF-UHFFFAOYSA-N 2 2 224.392 2.642 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC1CCCC1 ZINC000261569665 135211672 /nfs/dbraw/zinc/21/16/72/135211672.db2.gz GJLQROKQKUTJJS-JSGCOSHPSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC1CCCC1 ZINC000261569665 135211673 /nfs/dbraw/zinc/21/16/73/135211673.db2.gz GJLQROKQKUTJJS-JSGCOSHPSA-N 2 2 224.392 2.768 20 0 BFADLP CC(C)([NH3+])C[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000261593164 135233517 /nfs/dbraw/zinc/23/35/17/135233517.db2.gz YWQKGBXZQUDLPJ-CQSZACIVSA-N 2 2 244.338 2.696 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@@H]1[NH3+] ZINC000261975194 135269098 /nfs/dbraw/zinc/26/90/98/135269098.db2.gz IQKXLEOEKSDZGO-MFKMUULPSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@@H]1[NH3+] ZINC000261975194 135269099 /nfs/dbraw/zinc/26/90/99/135269099.db2.gz IQKXLEOEKSDZGO-MFKMUULPSA-N 2 2 246.379 2.680 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000342583759 135292672 /nfs/dbraw/zinc/29/26/72/135292672.db2.gz WAMNLJFAJFKNRD-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000342583759 135292673 /nfs/dbraw/zinc/29/26/73/135292673.db2.gz WAMNLJFAJFKNRD-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000342582672 135292838 /nfs/dbraw/zinc/29/28/38/135292838.db2.gz PVQDEAKCGCVPSD-UONOGXRCSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000342582672 135292840 /nfs/dbraw/zinc/29/28/40/135292840.db2.gz PVQDEAKCGCVPSD-UONOGXRCSA-N 2 2 236.403 2.782 20 0 BFADLP C[N@H+](Cc1ccoc1)Cc1cccc2[nH+]ccn21 ZINC000342637387 135299336 /nfs/dbraw/zinc/29/93/36/135299336.db2.gz OSWIWZMMDGXQEK-UHFFFAOYSA-N 2 2 241.294 2.559 20 0 BFADLP C[N@@H+](Cc1ccoc1)Cc1cccc2[nH+]ccn21 ZINC000342637387 135299338 /nfs/dbraw/zinc/29/93/38/135299338.db2.gz OSWIWZMMDGXQEK-UHFFFAOYSA-N 2 2 241.294 2.559 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC1(C)C)[NH+]1CCC(C)CC1 ZINC000342687376 135305253 /nfs/dbraw/zinc/30/52/53/135305253.db2.gz IQKMVCHYACRUNP-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000342714361 135313591 /nfs/dbraw/zinc/31/35/91/135313591.db2.gz UTWPRDCGOOMNAM-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000342714361 135313592 /nfs/dbraw/zinc/31/35/92/135313592.db2.gz UTWPRDCGOOMNAM-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000342761443 135325690 /nfs/dbraw/zinc/32/56/90/135325690.db2.gz XHRYWIKPGKAFCD-GZBFAFLISA-N 2 2 232.371 2.820 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000342761443 135325692 /nfs/dbraw/zinc/32/56/92/135325692.db2.gz XHRYWIKPGKAFCD-GZBFAFLISA-N 2 2 232.371 2.820 20 0 BFADLP CCC(CC)([NH2+]CC[NH3+])c1ccc(Cl)cc1 ZINC000263035316 135328093 /nfs/dbraw/zinc/32/80/93/135328093.db2.gz SHQDNSKGRWHIOK-UHFFFAOYSA-N 2 2 240.778 2.904 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000079977267 135365216 /nfs/dbraw/zinc/36/52/16/135365216.db2.gz UMQYMOSSTAKSSP-OLZOCXBDSA-N 2 2 235.375 2.830 20 0 BFADLP c1cn(CCC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c[nH+]1 ZINC000081626893 135388450 /nfs/dbraw/zinc/38/84/50/135388450.db2.gz UYLJIJASERAJSU-LSDHHAIUSA-N 2 2 247.386 2.832 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081625095 135388486 /nfs/dbraw/zinc/38/84/86/135388486.db2.gz HFZIRPYNDSAENK-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000079972784 135398320 /nfs/dbraw/zinc/39/83/20/135398320.db2.gz DYIHJWLWLLCQDM-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000348064465 136025711 /nfs/dbraw/zinc/02/57/11/136025711.db2.gz AKCKSSZZKDMHEI-OCCSQVGLSA-N 2 2 243.354 2.655 20 0 BFADLP CC[C@H]1CC[C@@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000348090568 136035274 /nfs/dbraw/zinc/03/52/74/136035274.db2.gz WEJGVVRBPWIEKO-JSGCOSHPSA-N 2 2 247.386 2.540 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CCC3(CC3)CC1)C2 ZINC000335325933 136051991 /nfs/dbraw/zinc/05/19/91/136051991.db2.gz KQMUYRWBAIUKIJ-GFCCVEGCSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1CCC3(CC3)CC1)CC2 ZINC000335325933 136051992 /nfs/dbraw/zinc/05/19/92/136051992.db2.gz KQMUYRWBAIUKIJ-GFCCVEGCSA-N 2 2 245.370 2.579 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000348269818 136058520 /nfs/dbraw/zinc/05/85/20/136058520.db2.gz GIAOXMDOEUNMKT-XOUADPBQSA-N 2 2 246.398 2.718 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CCC2 ZINC000348273894 136058583 /nfs/dbraw/zinc/05/85/83/136058583.db2.gz AHZLQPPTVKCOCB-BBRMVZONSA-N 2 2 246.398 2.912 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C[NH+](C)C)CCC2 ZINC000348273895 136058896 /nfs/dbraw/zinc/05/88/96/136058896.db2.gz AHZLQPPTVKCOCB-CJNGLKHVSA-N 2 2 246.398 2.912 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000348287931 136061972 /nfs/dbraw/zinc/06/19/72/136061972.db2.gz IREUMDYRHSZDAE-GHMZBOCLSA-N 2 2 248.361 2.740 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000151121885 397735895 /nfs/dbraw/zinc/73/58/95/397735895.db2.gz JZATYRMHCVRTGP-AWEZNQCLSA-N 2 2 235.375 2.998 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000449555870 397955819 /nfs/dbraw/zinc/95/58/19/397955819.db2.gz JVBXZVLOEQADJD-NUEKZKHPSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H]([NH2+]CCC[NH+](C)C)c1cc(F)ccc1F ZINC000019959049 397962700 /nfs/dbraw/zinc/96/27/00/397962700.db2.gz IILRNVPKUGPVFH-JTQLQIEISA-N 2 2 242.313 2.567 20 0 BFADLP COc1ccccc1[C@H]1CCCC[N@@H+]1C[C@H](C)[NH3+] ZINC000647884337 397923823 /nfs/dbraw/zinc/92/38/23/397923823.db2.gz DOULXGJIZBQJIU-GXTWGEPZSA-N 2 2 248.370 2.569 20 0 BFADLP COc1ccccc1[C@H]1CCCC[N@H+]1C[C@H](C)[NH3+] ZINC000647884337 397923827 /nfs/dbraw/zinc/92/38/27/397923827.db2.gz DOULXGJIZBQJIU-GXTWGEPZSA-N 2 2 248.370 2.569 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CCCCCC2)C[N@@H+]1C1CC1 ZINC000122284243 398093247 /nfs/dbraw/zinc/09/32/47/398093247.db2.gz XGMXLBDAEKGYNV-OCCSQVGLSA-N 2 2 236.403 2.924 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CCCCCC2)C[N@H+]1C1CC1 ZINC000122284243 398093250 /nfs/dbraw/zinc/09/32/50/398093250.db2.gz XGMXLBDAEKGYNV-OCCSQVGLSA-N 2 2 236.403 2.924 20 0 BFADLP c1[nH]c(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c[nH+]1 ZINC000280201115 398054131 /nfs/dbraw/zinc/05/41/31/398054131.db2.gz IYGZXOPQAFFMER-LSDHHAIUSA-N 2 2 241.338 2.836 20 0 BFADLP c1[nH]c(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c[nH+]1 ZINC000280201103 398054274 /nfs/dbraw/zinc/05/42/74/398054274.db2.gz IYGZXOPQAFFMER-CABCVRRESA-N 2 2 241.338 2.836 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000393250460 487569034 /nfs/dbraw/zinc/56/90/34/487569034.db2.gz WUGXQWDDLVXBII-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H](C)C2)C1 ZINC000393250460 487569038 /nfs/dbraw/zinc/56/90/38/487569038.db2.gz WUGXQWDDLVXBII-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000680340450 487569213 /nfs/dbraw/zinc/56/92/13/487569213.db2.gz DUJFOSYZEQWBJQ-ZIAGYGMSSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC000680340450 487569217 /nfs/dbraw/zinc/56/92/17/487569217.db2.gz DUJFOSYZEQWBJQ-ZIAGYGMSSA-N 2 2 236.403 2.639 20 0 BFADLP CCCc1ccc(C[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000669574738 487570716 /nfs/dbraw/zinc/57/07/16/487570716.db2.gz BEWLDHUYCJUCDG-UHFFFAOYSA-N 2 2 246.398 2.823 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)CC1 ZINC000086880753 487577996 /nfs/dbraw/zinc/57/79/96/487577996.db2.gz CKRSHTPEDQYLGH-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000086906701 487583455 /nfs/dbraw/zinc/58/34/55/487583455.db2.gz MDTHAEDDMRLEKM-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP C[N@H+](Cc1cccc2[nH+]ccn21)C[C@H]1CC1(C)C ZINC000668814802 487583501 /nfs/dbraw/zinc/58/35/01/487583501.db2.gz UWRGFOYLMWXCBJ-GFCCVEGCSA-N 2 2 243.354 2.812 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cscc1Cl ZINC000393830065 487587574 /nfs/dbraw/zinc/58/75/74/487587574.db2.gz VEDZDAOMUOIZFE-PSASIEDQSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cscc1Cl ZINC000393830065 487587575 /nfs/dbraw/zinc/58/75/75/487587575.db2.gz VEDZDAOMUOIZFE-PSASIEDQSA-N 2 2 244.791 2.713 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])s1 ZINC000227192317 487587895 /nfs/dbraw/zinc/58/78/95/487587895.db2.gz VQFVXWNMLJWLJP-GXFFZTMASA-N 2 2 238.400 2.616 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])s1 ZINC000227192317 487587902 /nfs/dbraw/zinc/58/79/02/487587902.db2.gz VQFVXWNMLJWLJP-GXFFZTMASA-N 2 2 238.400 2.616 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]CC(C)(C)c1ccccc1 ZINC000228130818 487589602 /nfs/dbraw/zinc/58/96/02/487589602.db2.gz ZVHYZXMMTJRYBK-ZDUSSCGKSA-N 2 2 234.387 2.504 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCCC12CCCC2 ZINC000328132806 487608167 /nfs/dbraw/zinc/60/81/67/487608167.db2.gz XBWFKRVARYZSIE-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C1=CCC(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000662275292 409585118 /nfs/dbraw/zinc/58/51/18/409585118.db2.gz YZSOICRSGMLUBC-GJZGRUSLSA-N 2 2 234.387 2.559 20 0 BFADLP C1=CCC(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000662275292 409585128 /nfs/dbraw/zinc/58/51/28/409585128.db2.gz YZSOICRSGMLUBC-GJZGRUSLSA-N 2 2 234.387 2.559 20 0 BFADLP C1=CCC(C[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000662275291 409586505 /nfs/dbraw/zinc/58/65/05/409586505.db2.gz YZSOICRSGMLUBC-CABCVRRESA-N 2 2 234.387 2.559 20 0 BFADLP C1=CCC(C[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000662275291 409586514 /nfs/dbraw/zinc/58/65/14/409586514.db2.gz YZSOICRSGMLUBC-CABCVRRESA-N 2 2 234.387 2.559 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000662277197 409591796 /nfs/dbraw/zinc/59/17/96/409591796.db2.gz NGKILTFUYMBGBW-WFASDCNBSA-N 2 2 232.371 2.732 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000662277197 409591803 /nfs/dbraw/zinc/59/18/03/409591803.db2.gz NGKILTFUYMBGBW-WFASDCNBSA-N 2 2 232.371 2.732 20 0 BFADLP CC1(C)C[C@@]1([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000662340113 409650962 /nfs/dbraw/zinc/65/09/62/409650962.db2.gz IDXOFEPNGDTJMN-OAHLLOKOSA-N 2 2 241.338 2.825 20 0 BFADLP C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)C(C)(C)C ZINC000308609914 409890003 /nfs/dbraw/zinc/89/00/03/409890003.db2.gz UNDKACBMGNHKPX-LLVKDONJSA-N 2 2 214.397 2.598 20 0 BFADLP CCc1cc[nH+]cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000651979298 410111544 /nfs/dbraw/zinc/11/15/44/410111544.db2.gz IIQKYWOJNHHATM-KBPBESRZSA-N 2 2 245.370 2.683 20 0 BFADLP CCc1cc[nH+]cc1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000651979298 410111550 /nfs/dbraw/zinc/11/15/50/410111550.db2.gz IIQKYWOJNHHATM-KBPBESRZSA-N 2 2 245.370 2.683 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@@H](C)C1)CC2 ZINC000650715069 410350013 /nfs/dbraw/zinc/35/00/13/410350013.db2.gz OBCRDDYXTDJFNI-DUVNUKRYSA-N 2 2 244.382 2.570 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000328148164 487617043 /nfs/dbraw/zinc/61/70/43/487617043.db2.gz CTBTXWHRVCUWNR-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCCC2(C)C)C1 ZINC000328148164 487617049 /nfs/dbraw/zinc/61/70/49/487617049.db2.gz CTBTXWHRVCUWNR-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000665294156 410783517 /nfs/dbraw/zinc/78/35/17/410783517.db2.gz JLJKLDOVFJSLEF-OLZOCXBDSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000665294950 410789678 /nfs/dbraw/zinc/78/96/78/410789678.db2.gz ZCRLQIQYGBEDKD-OLZOCXBDSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000665296103 410802478 /nfs/dbraw/zinc/80/24/78/410802478.db2.gz MTUDVUKCNFRJAV-SMDDNHRTSA-N 2 2 232.371 2.607 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C)c(F)c(C)c1 ZINC000665295801 410805395 /nfs/dbraw/zinc/80/53/95/410805395.db2.gz JIXIMBNHNQVRBS-NWDGAFQWSA-N 2 2 238.350 2.701 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000665296455 410811938 /nfs/dbraw/zinc/81/19/38/410811938.db2.gz SSIXCRHBZONIEY-IUODEOHRSA-N 2 2 232.371 2.652 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000665297422 410814054 /nfs/dbraw/zinc/81/40/54/410814054.db2.gz FQOGXXRSGAAPIZ-SFYZADRCSA-N 2 2 232.780 2.660 20 0 BFADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1 ZINC000665276730 410748347 /nfs/dbraw/zinc/74/83/47/410748347.db2.gz LGGYWJPOZYRKRQ-XGTXGMFGSA-N 2 2 248.345 2.618 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000665298513 410831092 /nfs/dbraw/zinc/83/10/92/410831092.db2.gz XHIIVEUWOPCFOK-NEPJUHHUSA-N 2 2 246.354 3.000 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000651225486 410871498 /nfs/dbraw/zinc/87/14/98/410871498.db2.gz CFSCAJBQRHAJNP-HZPDHXFCSA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000651225486 410871505 /nfs/dbraw/zinc/87/15/05/410871505.db2.gz CFSCAJBQRHAJNP-HZPDHXFCSA-N 2 2 248.414 2.639 20 0 BFADLP CC(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000309861910 167015666 /nfs/dbraw/zinc/01/56/66/167015666.db2.gz DMFYSXHZOFNOPR-ZBFHGGJFSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000309861910 167015668 /nfs/dbraw/zinc/01/56/68/167015668.db2.gz DMFYSXHZOFNOPR-ZBFHGGJFSA-N 2 2 246.398 2.895 20 0 BFADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000177116883 167094638 /nfs/dbraw/zinc/09/46/38/167094638.db2.gz DVRKVSTVISEUBQ-ZDUSSCGKSA-N 2 2 247.386 2.605 20 0 BFADLP CC(C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000126327267 167138723 /nfs/dbraw/zinc/13/87/23/167138723.db2.gz RQNISRASKPMNPS-CYBMUJFWSA-N 2 2 220.360 2.505 20 0 BFADLP CC(C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000126327267 167138726 /nfs/dbraw/zinc/13/87/26/167138726.db2.gz RQNISRASKPMNPS-CYBMUJFWSA-N 2 2 220.360 2.505 20 0 BFADLP c1c[nH+]c(C2CC[NH+](CCC3CCC3)CC2)[nH]1 ZINC000659999388 411163209 /nfs/dbraw/zinc/16/32/09/411163209.db2.gz PIXOZHQIXVAWRL-UHFFFAOYSA-N 2 2 233.359 2.779 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000651694593 411136622 /nfs/dbraw/zinc/13/66/22/411136622.db2.gz JKUIQKLHBTWATC-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000651694593 411136623 /nfs/dbraw/zinc/13/66/23/411136623.db2.gz JKUIQKLHBTWATC-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000651750139 411140954 /nfs/dbraw/zinc/14/09/54/411140954.db2.gz XURFCKLKUPCOCB-UONOGXRCSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CCCCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000651828461 411146684 /nfs/dbraw/zinc/14/66/84/411146684.db2.gz LCMKCEHLTQXICQ-GXTWGEPZSA-N 2 2 235.375 2.521 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000658096160 411243128 /nfs/dbraw/zinc/24/31/28/411243128.db2.gz OIEPAPHDMNDPAG-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000658096160 411243131 /nfs/dbraw/zinc/24/31/31/411243131.db2.gz OIEPAPHDMNDPAG-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000658095450 411243180 /nfs/dbraw/zinc/24/31/80/411243180.db2.gz HEVCKEVBZUQGCM-ROKHWSDSSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000658095450 411243183 /nfs/dbraw/zinc/24/31/83/411243183.db2.gz HEVCKEVBZUQGCM-ROKHWSDSSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094776 411243346 /nfs/dbraw/zinc/24/33/46/411243346.db2.gz ASFWSFGKCMDHTA-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094776 411243349 /nfs/dbraw/zinc/24/33/49/411243349.db2.gz ASFWSFGKCMDHTA-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094767 411243506 /nfs/dbraw/zinc/24/35/06/411243506.db2.gz ASFWSFGKCMDHTA-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094767 411243509 /nfs/dbraw/zinc/24/35/09/411243509.db2.gz ASFWSFGKCMDHTA-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000658095191 411243618 /nfs/dbraw/zinc/24/36/18/411243618.db2.gz DWOJNBHKYXXULV-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000658095191 411243626 /nfs/dbraw/zinc/24/36/26/411243626.db2.gz DWOJNBHKYXXULV-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)C[N@@H+]1C1CC1 ZINC000652272297 411183911 /nfs/dbraw/zinc/18/39/11/411183911.db2.gz HENVILICGHSSHN-AAEUAGOBSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2(C3CCC3)CC2)C[N@H+]1C1CC1 ZINC000652272297 411183917 /nfs/dbraw/zinc/18/39/17/411183917.db2.gz HENVILICGHSSHN-AAEUAGOBSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)C[N@@H+]1C1CC1 ZINC000652272299 411184681 /nfs/dbraw/zinc/18/46/81/411184681.db2.gz HENVILICGHSSHN-WCQYABFASA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2(C3CCC3)CC2)C[N@H+]1C1CC1 ZINC000652272299 411184683 /nfs/dbraw/zinc/18/46/83/411184683.db2.gz HENVILICGHSSHN-WCQYABFASA-N 2 2 234.387 2.534 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000658096156 411243763 /nfs/dbraw/zinc/24/37/63/411243763.db2.gz OIEPAPHDMNDPAG-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000658096156 411243764 /nfs/dbraw/zinc/24/37/64/411243764.db2.gz OIEPAPHDMNDPAG-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)[C@H]1C[C@H]1C ZINC000658097762 411244230 /nfs/dbraw/zinc/24/42/30/411244230.db2.gz ZRDKCKCLKQVQMH-MQYQWHSLSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]1C[C@H]1C ZINC000658097762 411244233 /nfs/dbraw/zinc/24/42/33/411244233.db2.gz ZRDKCKCLKQVQMH-MQYQWHSLSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000656194936 411200838 /nfs/dbraw/zinc/20/08/38/411200838.db2.gz VBBKCDNNPGCEJY-CYBMUJFWSA-N 2 2 224.392 2.768 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1CC1CCCC1 ZINC000656194936 411200839 /nfs/dbraw/zinc/20/08/39/411200839.db2.gz VBBKCDNNPGCEJY-CYBMUJFWSA-N 2 2 224.392 2.768 20 0 BFADLP CC1([NH3+])CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000049829479 411245769 /nfs/dbraw/zinc/24/57/69/411245769.db2.gz VRKVNNJWDSFAPJ-UHFFFAOYSA-N 2 2 238.762 2.653 20 0 BFADLP CC1([NH3+])CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000049829480 411245980 /nfs/dbraw/zinc/24/59/80/411245980.db2.gz HMPQCMQODCTGAB-UHFFFAOYSA-N 2 2 238.762 2.653 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000658062991 411229148 /nfs/dbraw/zinc/22/91/48/411229148.db2.gz UOICGEJCDRDKPN-DGAVXFQQSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000658062991 411229151 /nfs/dbraw/zinc/22/91/51/411229151.db2.gz UOICGEJCDRDKPN-DGAVXFQQSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)C1CC([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000658064088 411229340 /nfs/dbraw/zinc/22/93/40/411229340.db2.gz YUZGZQJSEORBMN-RUXDESIVSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C1CC([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000658064088 411229343 /nfs/dbraw/zinc/22/93/43/411229343.db2.gz YUZGZQJSEORBMN-RUXDESIVSA-N 2 2 238.419 2.883 20 0 BFADLP Cn1cc[nH+]c1-c1cccc(C[NH+]2CCCC2)c1 ZINC000656371848 411238527 /nfs/dbraw/zinc/23/85/27/411238527.db2.gz YJQBXJUYYUFGBC-UHFFFAOYSA-N 2 2 241.338 2.683 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658092324 411242206 /nfs/dbraw/zinc/24/22/06/411242206.db2.gz PPGSISWUKJUJCV-XQQFMLRXSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658092324 411242208 /nfs/dbraw/zinc/24/22/08/411242208.db2.gz PPGSISWUKJUJCV-XQQFMLRXSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC000658220901 411300224 /nfs/dbraw/zinc/30/02/24/411300224.db2.gz JVMKTTMALLHIHK-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC000658220901 411300225 /nfs/dbraw/zinc/30/02/25/411300225.db2.gz JVMKTTMALLHIHK-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)CC1([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000658320717 411332566 /nfs/dbraw/zinc/33/25/66/411332566.db2.gz FMAFBLDCAGGACW-CHWSQXEVSA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)CC1([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000658320717 411332569 /nfs/dbraw/zinc/33/25/69/411332569.db2.gz FMAFBLDCAGGACW-CHWSQXEVSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000656675641 411321608 /nfs/dbraw/zinc/32/16/08/411321608.db2.gz HOZQVECBOVIXHN-TZMCWYRMSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000656675641 411321612 /nfs/dbraw/zinc/32/16/12/411321612.db2.gz HOZQVECBOVIXHN-TZMCWYRMSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000658286316 411322345 /nfs/dbraw/zinc/32/23/45/411322345.db2.gz RFKLFPYIVUUCBJ-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000658286316 411322347 /nfs/dbraw/zinc/32/23/47/411322347.db2.gz RFKLFPYIVUUCBJ-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000658284418 411322817 /nfs/dbraw/zinc/32/28/17/411322817.db2.gz GCUMVLMUDCGTAF-ZNMIVQPWSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000658284418 411322822 /nfs/dbraw/zinc/32/28/22/411322822.db2.gz GCUMVLMUDCGTAF-ZNMIVQPWSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)C(C)(C)C(F)F)C1 ZINC000658286007 411322963 /nfs/dbraw/zinc/32/29/63/411322963.db2.gz NPEVVTBIMGLOCO-GHMZBOCLSA-N 2 2 248.361 2.740 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)C(C)(C)C(F)F)C1 ZINC000658286007 411322964 /nfs/dbraw/zinc/32/29/64/411322964.db2.gz NPEVVTBIMGLOCO-GHMZBOCLSA-N 2 2 248.361 2.740 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(C)(C)C(F)F)C1 ZINC000658286027 411323174 /nfs/dbraw/zinc/32/31/74/411323174.db2.gz NPEVVTBIMGLOCO-QWRGUYRKSA-N 2 2 248.361 2.740 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(C)(C)C(F)F)C1 ZINC000658286027 411323175 /nfs/dbraw/zinc/32/31/75/411323175.db2.gz NPEVVTBIMGLOCO-QWRGUYRKSA-N 2 2 248.361 2.740 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000658284985 411323299 /nfs/dbraw/zinc/32/32/99/411323299.db2.gz JGQQCLJGYBESFI-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000658284985 411323301 /nfs/dbraw/zinc/32/33/01/411323301.db2.gz JGQQCLJGYBESFI-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+](Cc1cc(F)cc(Cl)c1)CC(C)(C)[NH3+] ZINC000656786326 411365614 /nfs/dbraw/zinc/36/56/14/411365614.db2.gz WUDOSPSDFPMVKL-UHFFFAOYSA-N 2 2 244.741 2.648 20 0 BFADLP C[N@@H+](Cc1cc(F)cc(Cl)c1)CC(C)(C)[NH3+] ZINC000656786326 411365615 /nfs/dbraw/zinc/36/56/15/411365615.db2.gz WUDOSPSDFPMVKL-UHFFFAOYSA-N 2 2 244.741 2.648 20 0 BFADLP CC1=C(C)C[N@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000280941666 168084715 /nfs/dbraw/zinc/08/47/15/168084715.db2.gz SOYYPYQEVGWPGH-UHFFFAOYSA-N 2 2 241.338 2.876 20 0 BFADLP CC1=C(C)C[N@@H+](Cc2cccc3[nH+]ccn32)CC1 ZINC000280941666 168084717 /nfs/dbraw/zinc/08/47/17/168084717.db2.gz SOYYPYQEVGWPGH-UHFFFAOYSA-N 2 2 241.338 2.876 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338020642 168111945 /nfs/dbraw/zinc/11/19/45/168111945.db2.gz MUAZVSQWMSILNN-CVEARBPZSA-N 2 2 248.414 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338020642 168111947 /nfs/dbraw/zinc/11/19/47/168111947.db2.gz MUAZVSQWMSILNN-CVEARBPZSA-N 2 2 248.414 2.807 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000358134953 168112654 /nfs/dbraw/zinc/11/26/54/168112654.db2.gz JMWDUVSEZFUYNQ-OAHLLOKOSA-N 2 2 234.387 2.584 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000358134953 168112656 /nfs/dbraw/zinc/11/26/56/168112656.db2.gz JMWDUVSEZFUYNQ-OAHLLOKOSA-N 2 2 234.387 2.584 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358139536 168113677 /nfs/dbraw/zinc/11/36/77/168113677.db2.gz OAEYWFRPBLBQEY-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C)C2)CC1 ZINC000358139536 168113680 /nfs/dbraw/zinc/11/36/80/168113680.db2.gz OAEYWFRPBLBQEY-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000300012886 168129255 /nfs/dbraw/zinc/12/92/55/168129255.db2.gz UJUFDEQAAQAIAA-FPMFFAJLSA-N 2 2 224.392 2.519 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000289756357 168130080 /nfs/dbraw/zinc/13/00/80/168130080.db2.gz FRCGHERATXGAHH-NWANDNLSSA-N 2 2 247.386 2.854 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000300691320 168130413 /nfs/dbraw/zinc/13/04/13/168130413.db2.gz SQCDIDITOWGHDX-AEGPPILISA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000300691320 168130414 /nfs/dbraw/zinc/13/04/14/168130414.db2.gz SQCDIDITOWGHDX-AEGPPILISA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000300012887 168130935 /nfs/dbraw/zinc/13/09/35/168130935.db2.gz UJUFDEQAAQAIAA-UBHSHLNASA-N 2 2 224.392 2.519 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000355420328 168150275 /nfs/dbraw/zinc/15/02/75/168150275.db2.gz NXJSMJYJEGPVKX-FUUBYGMNSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000355420328 168150277 /nfs/dbraw/zinc/15/02/77/168150277.db2.gz NXJSMJYJEGPVKX-FUUBYGMNSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000355420333 168151131 /nfs/dbraw/zinc/15/11/31/168151131.db2.gz NXJSMJYJEGPVKX-RAFNIBEQSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000355420333 168151135 /nfs/dbraw/zinc/15/11/35/168151135.db2.gz NXJSMJYJEGPVKX-RAFNIBEQSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH2+]C1CCCC1)[NH+]1CCC(C)CC1 ZINC000049949217 168186683 /nfs/dbraw/zinc/18/66/83/168186683.db2.gz CYEQMQAZJVUBDX-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@@H]1C ZINC000657285567 411444781 /nfs/dbraw/zinc/44/47/81/411444781.db2.gz JKWROFPYLAVVEH-BZPMIXESSA-N 2 2 247.386 2.744 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@H]1C ZINC000657285569 411444829 /nfs/dbraw/zinc/44/48/29/411444829.db2.gz JKWROFPYLAVVEH-MBNYWOFBSA-N 2 2 247.386 2.744 20 0 BFADLP CCC[C@@H](CC)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414825881 411449515 /nfs/dbraw/zinc/44/95/15/411449515.db2.gz DFUPWCFQANBNFR-KGLIPLIRSA-N 2 2 220.360 2.855 20 0 BFADLP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657331559 411468553 /nfs/dbraw/zinc/46/85/53/411468553.db2.gz GVQFWLMQAJYTGD-JYAVWHMHSA-N 2 2 247.386 2.744 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000660078256 411534721 /nfs/dbraw/zinc/53/47/21/411534721.db2.gz STHQIAQOAANRGL-ZDUSSCGKSA-N 2 2 233.359 2.945 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000660078256 411534724 /nfs/dbraw/zinc/53/47/24/411534724.db2.gz STHQIAQOAANRGL-ZDUSSCGKSA-N 2 2 233.359 2.945 20 0 BFADLP CC(C)C(C[NH2+]Cc1c[nH+]c2n1CCC2)C(C)C ZINC000657444975 411512900 /nfs/dbraw/zinc/51/29/00/411512900.db2.gz UMXLCPQTAMNSHA-UHFFFAOYSA-N 2 2 249.402 2.847 20 0 BFADLP CC1([NH2+]Cc2cccc3[nH+]ccn32)CC=CC1 ZINC000655813988 411523602 /nfs/dbraw/zinc/52/36/02/411523602.db2.gz FPBSDPDZSSNJCE-UHFFFAOYSA-N 2 2 227.311 2.533 20 0 BFADLP CC[C@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657478602 411525597 /nfs/dbraw/zinc/52/55/97/411525597.db2.gz MIIYHPQDUZZOQU-QWHCGFSZSA-N 2 2 247.386 2.745 20 0 BFADLP C1=CCC(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1 ZINC000659999362 411525609 /nfs/dbraw/zinc/52/56/09/411525609.db2.gz OWTXDZDMPFDENR-UHFFFAOYSA-N 2 2 231.343 2.555 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCCC1 ZINC000657484990 411530004 /nfs/dbraw/zinc/53/00/04/411530004.db2.gz HZIHTIBRPGDQFW-AWEZNQCLSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@H]1CC[N@H+](CC2CC=CC2)C[C@@H]1n1cc[nH+]c1 ZINC000660110412 411538445 /nfs/dbraw/zinc/53/84/45/411538445.db2.gz AXKZKTCVLQHGGV-ZFWWWQNUSA-N 2 2 245.370 2.732 20 0 BFADLP C[C@H]1CC[N@@H+](CC2CC=CC2)C[C@@H]1n1cc[nH+]c1 ZINC000660110412 411538447 /nfs/dbraw/zinc/53/84/47/411538447.db2.gz AXKZKTCVLQHGGV-ZFWWWQNUSA-N 2 2 245.370 2.732 20 0 BFADLP C[C@H]1CC[N@H+](CC2CC=CC2)C[C@H]1n1cc[nH+]c1 ZINC000660110406 411538678 /nfs/dbraw/zinc/53/86/78/411538678.db2.gz AXKZKTCVLQHGGV-DZGCQCFKSA-N 2 2 245.370 2.732 20 0 BFADLP C[C@H]1CC[N@@H+](CC2CC=CC2)C[C@H]1n1cc[nH+]c1 ZINC000660110406 411538680 /nfs/dbraw/zinc/53/86/80/411538680.db2.gz AXKZKTCVLQHGGV-DZGCQCFKSA-N 2 2 245.370 2.732 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000336885504 170021745 /nfs/dbraw/zinc/02/17/45/170021745.db2.gz ARIPWBKDSPHGRO-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000336885504 170021747 /nfs/dbraw/zinc/02/17/47/170021747.db2.gz ARIPWBKDSPHGRO-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)C2CCCCC2)C1 ZINC000328318235 170023050 /nfs/dbraw/zinc/02/30/50/170023050.db2.gz DBUZREAFHOBBQK-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCCCC2)C1 ZINC000328318235 170023051 /nfs/dbraw/zinc/02/30/51/170023051.db2.gz DBUZREAFHOBBQK-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccsc1 ZINC000657522787 411540836 /nfs/dbraw/zinc/54/08/36/411540836.db2.gz DRXJTRAUBFISLS-GFCCVEGCSA-N 2 2 238.400 2.711 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccsc1 ZINC000657522787 411540837 /nfs/dbraw/zinc/54/08/37/411540837.db2.gz DRXJTRAUBFISLS-GFCCVEGCSA-N 2 2 238.400 2.711 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657525217 411542639 /nfs/dbraw/zinc/54/26/39/411542639.db2.gz POPCSDXVPZJDNX-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657525217 411542640 /nfs/dbraw/zinc/54/26/40/411542640.db2.gz POPCSDXVPZJDNX-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849951 411536469 /nfs/dbraw/zinc/53/64/69/411536469.db2.gz RPEXAHUTVKBBBF-KBPBESRZSA-N 2 2 222.376 2.536 20 0 BFADLP C1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849951 411536472 /nfs/dbraw/zinc/53/64/72/411536472.db2.gz RPEXAHUTVKBBBF-KBPBESRZSA-N 2 2 222.376 2.536 20 0 BFADLP C1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849954 411536759 /nfs/dbraw/zinc/53/67/59/411536759.db2.gz RPEXAHUTVKBBBF-ZIAGYGMSSA-N 2 2 222.376 2.536 20 0 BFADLP C1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849954 411536760 /nfs/dbraw/zinc/53/67/60/411536760.db2.gz RPEXAHUTVKBBBF-ZIAGYGMSSA-N 2 2 222.376 2.536 20 0 BFADLP CC1(C)CC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849349 411538055 /nfs/dbraw/zinc/53/80/55/411538055.db2.gz ULZKBBGZFZQFLD-KGLIPLIRSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849349 411538058 /nfs/dbraw/zinc/53/80/58/411538058.db2.gz ULZKBBGZFZQFLD-KGLIPLIRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@H]1C[C@H]1C ZINC000655851392 411538208 /nfs/dbraw/zinc/53/82/08/411538208.db2.gz UOSLSODXMPFGNN-FQKPHLNHSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1C[C@H]1C ZINC000655851392 411538210 /nfs/dbraw/zinc/53/82/10/411538210.db2.gz UOSLSODXMPFGNN-FQKPHLNHSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000657562322 411552441 /nfs/dbraw/zinc/55/24/41/411552441.db2.gz NENGGDAKJWSLPH-ZDUSSCGKSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC000657562322 411552443 /nfs/dbraw/zinc/55/24/43/411552443.db2.gz NENGGDAKJWSLPH-ZDUSSCGKSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@H](C)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000657587208 411558031 /nfs/dbraw/zinc/55/80/31/411558031.db2.gz SFMHBNKPTDEFAF-XQQFMLRXSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H](C)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000657587208 411558032 /nfs/dbraw/zinc/55/80/32/411558032.db2.gz SFMHBNKPTDEFAF-XQQFMLRXSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)C[N@@H+]1C1CC1 ZINC000657656811 411571517 /nfs/dbraw/zinc/57/15/17/411571517.db2.gz LAVXECPHYIXQTN-XSEXMBABSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)C[N@H+]1C1CC1 ZINC000657656811 411571519 /nfs/dbraw/zinc/57/15/19/411571519.db2.gz LAVXECPHYIXQTN-XSEXMBABSA-N 2 2 248.414 2.637 20 0 BFADLP Cc1cccc(NC[C@H](C(C)C)[NH+]2CCCC2)[nH+]1 ZINC000663378108 411641970 /nfs/dbraw/zinc/64/19/70/411641970.db2.gz CWXPASMSDHTVKM-CQSZACIVSA-N 2 2 247.386 2.922 20 0 BFADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CC(C)(C)C ZINC000657693506 411580049 /nfs/dbraw/zinc/58/00/49/411580049.db2.gz ONBGPZGCXAFSAL-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@]3(C)CC3(C)C)c[nH+]c12 ZINC000657761512 411591540 /nfs/dbraw/zinc/59/15/40/411591540.db2.gz MMEITCMSEVRTOA-HNNXBMFYSA-N 2 2 243.354 2.921 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660551038 411598885 /nfs/dbraw/zinc/59/88/85/411598885.db2.gz YLOSXTIVWNTKCP-IBEHDNSVSA-N 2 2 248.414 2.591 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660551038 411598886 /nfs/dbraw/zinc/59/88/86/411598886.db2.gz YLOSXTIVWNTKCP-IBEHDNSVSA-N 2 2 248.414 2.591 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657820573 411606824 /nfs/dbraw/zinc/60/68/24/411606824.db2.gz MITAGCLPNVRVSC-WDEREUQCSA-N 2 2 248.361 2.740 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657820573 411606825 /nfs/dbraw/zinc/60/68/25/411606825.db2.gz MITAGCLPNVRVSC-WDEREUQCSA-N 2 2 248.361 2.740 20 0 BFADLP Cc1cc[nH+]c(NCC[C@H](C)[NH+](C)C)c1Cl ZINC000664246847 411896821 /nfs/dbraw/zinc/89/68/21/411896821.db2.gz YYKCFJFBUIRZOZ-JTQLQIEISA-N 2 2 241.766 2.796 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@H](C3CCC3)C2)c[nH+]1 ZINC000662041567 411957345 /nfs/dbraw/zinc/95/73/45/411957345.db2.gz CEXQXSQLYQCMHC-HNNXBMFYSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@H](C3CCC3)C2)c[nH+]1 ZINC000662041567 411957350 /nfs/dbraw/zinc/95/73/50/411957350.db2.gz CEXQXSQLYQCMHC-HNNXBMFYSA-N 2 2 247.386 2.785 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000662243910 412038902 /nfs/dbraw/zinc/03/89/02/412038902.db2.gz GNMYBDHUESBPJC-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000662243910 412038907 /nfs/dbraw/zinc/03/89/07/412038907.db2.gz GNMYBDHUESBPJC-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)(C)c1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 ZINC000662243539 412039574 /nfs/dbraw/zinc/03/95/74/412039574.db2.gz NABHXPLEJSJUQR-AWEZNQCLSA-N 2 2 232.371 2.517 20 0 BFADLP CC(C)(C)c1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 ZINC000662243539 412039577 /nfs/dbraw/zinc/03/95/77/412039577.db2.gz NABHXPLEJSJUQR-AWEZNQCLSA-N 2 2 232.371 2.517 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000336747747 171058890 /nfs/dbraw/zinc/05/88/90/171058890.db2.gz XOTYYNMYDDODPZ-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC[N@H+](C)CC ZINC000310000553 171115417 /nfs/dbraw/zinc/11/54/17/171115417.db2.gz DSCKSYGMLCEMDN-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CC[N@@H+](C)CC ZINC000310000553 171115419 /nfs/dbraw/zinc/11/54/19/171115419.db2.gz DSCKSYGMLCEMDN-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020201828 171285168 /nfs/dbraw/zinc/28/51/68/171285168.db2.gz RCHOQAMTTHAUHZ-QWHCGFSZSA-N 2 2 214.397 2.598 20 0 BFADLP CC[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000341896285 171343748 /nfs/dbraw/zinc/34/37/48/171343748.db2.gz JIZXEMMVDGXQBJ-ZDUSSCGKSA-N 2 2 243.354 2.820 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000090847125 171364724 /nfs/dbraw/zinc/36/47/24/171364724.db2.gz SMZUCQVPTXPIOH-WCQYABFASA-N 2 2 220.360 2.957 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c1 ZINC000665245477 412189159 /nfs/dbraw/zinc/18/91/59/412189159.db2.gz KFCAPIANTMKLJG-DZGCQCFKSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)oc1C ZINC000665246808 412191486 /nfs/dbraw/zinc/19/14/86/412191486.db2.gz OKZLIYAGYCVIQI-LLVKDONJSA-N 2 2 236.359 2.819 20 0 BFADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1cccc(F)c1 ZINC000665280220 412224847 /nfs/dbraw/zinc/22/48/47/412224847.db2.gz WDHCGPMTOBGDRT-XGTXGMFGSA-N 2 2 248.345 2.618 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000665294269 412238722 /nfs/dbraw/zinc/23/87/22/412238722.db2.gz LHVFZPRMQAPERP-UONOGXRCSA-N 2 2 234.387 2.870 20 0 BFADLP CCCc1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665294301 412238883 /nfs/dbraw/zinc/23/88/83/412238883.db2.gz MCWKMVNDYNTQNB-OLZOCXBDSA-N 2 2 234.387 2.898 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1C ZINC000665294243 412239081 /nfs/dbraw/zinc/23/90/81/412239081.db2.gz LAGBAOGRHWWCJE-CHWSQXEVSA-N 2 2 220.360 2.562 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)C[NH2+]C)s1 ZINC000665293660 412239365 /nfs/dbraw/zinc/23/93/65/412239365.db2.gz AHCCVRMKVFJTNY-UWVGGRQHSA-N 2 2 226.389 2.569 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(C)cc1 ZINC000665293960 412239412 /nfs/dbraw/zinc/23/94/12/412239412.db2.gz GEAFWMOORDBHDG-GXTWGEPZSA-N 2 2 220.360 2.644 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000665294455 412240937 /nfs/dbraw/zinc/24/09/37/412240937.db2.gz PDJODZRUXUZQSV-VHSXEESVSA-N 2 2 226.751 2.599 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC000665294923 412241419 /nfs/dbraw/zinc/24/14/19/412241419.db2.gz YRXXLZMWYSYUEW-VHSXEESVSA-N 2 2 226.751 2.599 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](c1ccccc1)C(C)C ZINC000665296360 412242575 /nfs/dbraw/zinc/24/25/75/412242575.db2.gz RRGLNUKVGOQEDW-GXTWGEPZSA-N 2 2 220.360 2.581 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000665296089 412243088 /nfs/dbraw/zinc/24/30/88/412243088.db2.gz MRZPCXXQQAIRIM-MBNYWOFBSA-N 2 2 232.371 2.741 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000665297912 412245163 /nfs/dbraw/zinc/24/51/63/412245163.db2.gz OBVXGGIXZGLUSC-HIFRSBDPSA-N 2 2 246.398 2.878 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000665297860 412245175 /nfs/dbraw/zinc/24/51/75/412245175.db2.gz NCAHDCRIJOQXCO-VXGBXAGGSA-N 2 2 232.371 2.823 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000665298077 412246988 /nfs/dbraw/zinc/24/69/88/412246988.db2.gz RHZDHCQUMUFTST-OCCSQVGLSA-N 2 2 238.375 2.954 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C1CC(c2ccccc2)C1 ZINC000036840492 172395222 /nfs/dbraw/zinc/39/52/22/172395222.db2.gz OGTADHRPADCWCS-UHFFFAOYSA-N 2 2 246.398 2.862 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000163680966 173033863 /nfs/dbraw/zinc/03/38/63/173033863.db2.gz DMVZTJPUKRGYFQ-SECBINFHSA-N 2 2 244.791 2.585 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)s1 ZINC000163680966 173033864 /nfs/dbraw/zinc/03/38/64/173033864.db2.gz DMVZTJPUKRGYFQ-SECBINFHSA-N 2 2 244.791 2.585 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000154619942 173056390 /nfs/dbraw/zinc/05/63/90/173056390.db2.gz DVECAHYUFANOCW-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000154619942 173056392 /nfs/dbraw/zinc/05/63/92/173056392.db2.gz DVECAHYUFANOCW-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000042543728 173152863 /nfs/dbraw/zinc/15/28/63/173152863.db2.gz CMWXIKOMAFNPJZ-INIZCTEOSA-N 2 2 240.350 2.634 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC000042543728 173152865 /nfs/dbraw/zinc/15/28/65/173152865.db2.gz CMWXIKOMAFNPJZ-INIZCTEOSA-N 2 2 240.350 2.634 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000054463583 173154952 /nfs/dbraw/zinc/15/49/52/173154952.db2.gz CODSMWSTQCLGDP-LBPRGKRZSA-N 2 2 246.379 2.695 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC000054463583 173154954 /nfs/dbraw/zinc/15/49/54/173154954.db2.gz CODSMWSTQCLGDP-LBPRGKRZSA-N 2 2 246.379 2.695 20 0 BFADLP C[NH2+]CCC[N@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000124760604 173346149 /nfs/dbraw/zinc/34/61/49/173346149.db2.gz OAGVTJMSXVGKNI-SNVBAGLBSA-N 2 2 242.313 2.567 20 0 BFADLP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccc(F)cc1F ZINC000124760604 173346151 /nfs/dbraw/zinc/34/61/51/173346151.db2.gz OAGVTJMSXVGKNI-SNVBAGLBSA-N 2 2 242.313 2.567 20 0 BFADLP C[NH2+]CC[N@H+](C)CCc1ccc2ccccc2c1 ZINC000228256948 173353141 /nfs/dbraw/zinc/35/31/41/173353141.db2.gz JMUMNFJOCCBKOP-UHFFFAOYSA-N 2 2 242.366 2.534 20 0 BFADLP C[NH2+]CC[N@@H+](C)CCc1ccc2ccccc2c1 ZINC000228256948 173353142 /nfs/dbraw/zinc/35/31/42/173353142.db2.gz JMUMNFJOCCBKOP-UHFFFAOYSA-N 2 2 242.366 2.534 20 0 BFADLP C[NH2+]CC[N@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062014477 173353921 /nfs/dbraw/zinc/35/39/21/173353921.db2.gz HDPLDEXCTJASEY-JTQLQIEISA-N 2 2 226.751 2.552 20 0 BFADLP C[NH2+]CC[N@@H+](C)[C@@H](C)c1cccc(Cl)c1 ZINC000062014477 173353922 /nfs/dbraw/zinc/35/39/22/173353922.db2.gz HDPLDEXCTJASEY-JTQLQIEISA-N 2 2 226.751 2.552 20 0 BFADLP CS[C@@H](C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290351050 175543818 /nfs/dbraw/zinc/54/38/18/175543818.db2.gz LWNMZMBCGBFQIL-LBPRGKRZSA-N 2 2 238.400 2.664 20 0 BFADLP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccccc1F ZINC000049553123 175671690 /nfs/dbraw/zinc/67/16/90/175671690.db2.gz CQSOBJJYRZWGHT-RYUDHWBXSA-N 2 2 238.350 2.817 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000035275266 175784094 /nfs/dbraw/zinc/78/40/94/175784094.db2.gz ISVMDQHHEFJSMN-KGLIPLIRSA-N 2 2 243.354 2.665 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CCC2)C1 ZINC000341421580 176021330 /nfs/dbraw/zinc/02/13/30/176021330.db2.gz IMOWQTSOZWVRCV-XJKSGUPXSA-N 2 2 244.382 2.964 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CCC2)C1 ZINC000341421580 176021331 /nfs/dbraw/zinc/02/13/31/176021331.db2.gz IMOWQTSOZWVRCV-XJKSGUPXSA-N 2 2 244.382 2.964 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccco1 ZINC000019912952 176071674 /nfs/dbraw/zinc/07/16/74/176071674.db2.gz NAZPILAPZXYYOD-CYBMUJFWSA-N 2 2 236.359 2.634 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccco1 ZINC000019912952 176071676 /nfs/dbraw/zinc/07/16/76/176071676.db2.gz NAZPILAPZXYYOD-CYBMUJFWSA-N 2 2 236.359 2.634 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438790 176081764 /nfs/dbraw/zinc/08/17/64/176081764.db2.gz PGBZYRRMBKPBFQ-OCCSQVGLSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000376768677 176143967 /nfs/dbraw/zinc/14/39/67/176143967.db2.gz OITJKXCLOBLIJX-OLZOCXBDSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)[C@@H]1C ZINC000353594399 176145420 /nfs/dbraw/zinc/14/54/20/176145420.db2.gz GJSAHWHRNXSSBQ-NDBYEHHHSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)[C@@H]1C ZINC000353594399 176145422 /nfs/dbraw/zinc/14/54/22/176145422.db2.gz GJSAHWHRNXSSBQ-NDBYEHHHSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000271747840 176175955 /nfs/dbraw/zinc/17/59/55/176175955.db2.gz UFZYHJWQWSMCAS-CHWSQXEVSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)[C@H](C)C1 ZINC000271747840 176175956 /nfs/dbraw/zinc/17/59/56/176175956.db2.gz UFZYHJWQWSMCAS-CHWSQXEVSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CC[C@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000355595117 176227405 /nfs/dbraw/zinc/22/74/05/176227405.db2.gz FYYWIDXQLWAEGQ-OLZOCXBDSA-N 2 2 243.354 2.860 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000358388222 176274462 /nfs/dbraw/zinc/27/44/62/176274462.db2.gz CDMMSIMDEAGHFC-KCXAZCMYSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000358388222 176274463 /nfs/dbraw/zinc/27/44/63/176274463.db2.gz CDMMSIMDEAGHFC-KCXAZCMYSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000358064201 176277215 /nfs/dbraw/zinc/27/72/15/176277215.db2.gz PIRHROFFUIKYQR-WQVCFCJDSA-N 2 2 244.382 2.677 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000358064201 176277217 /nfs/dbraw/zinc/27/72/17/176277217.db2.gz PIRHROFFUIKYQR-WQVCFCJDSA-N 2 2 244.382 2.677 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000353276635 176282279 /nfs/dbraw/zinc/28/22/79/176282279.db2.gz WNRQDQPPXHDQFZ-SNPRPXQTSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000353276635 176282280 /nfs/dbraw/zinc/28/22/80/176282280.db2.gz WNRQDQPPXHDQFZ-SNPRPXQTSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)c2ccccc21 ZINC000336792672 176375373 /nfs/dbraw/zinc/37/53/73/176375373.db2.gz SYRZPGJQXCFZHX-CZUORRHYSA-N 2 2 244.382 2.920 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000155659823 176856295 /nfs/dbraw/zinc/85/62/95/176856295.db2.gz DLCPMZSALOSVQK-KBPBESRZSA-N 2 2 243.354 2.665 20 0 BFADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CC[NH3+] ZINC000054416809 177033095 /nfs/dbraw/zinc/03/30/95/177033095.db2.gz QUURGJTYTPDABN-GFCCVEGCSA-N 2 2 234.387 2.936 20 0 BFADLP C[C@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CC[NH3+] ZINC000054416809 177033097 /nfs/dbraw/zinc/03/30/97/177033097.db2.gz QUURGJTYTPDABN-GFCCVEGCSA-N 2 2 234.387 2.936 20 0 BFADLP C[C@H](c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124386283 177037530 /nfs/dbraw/zinc/03/75/30/177037530.db2.gz MFPDFBYSJVIBGL-CQSZACIVSA-N 2 2 243.354 2.966 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124386283 177037531 /nfs/dbraw/zinc/03/75/31/177037531.db2.gz MFPDFBYSJVIBGL-CQSZACIVSA-N 2 2 243.354 2.966 20 0 BFADLP C[C@H](c1ccccc1Cl)[N@@H+]1CCC[NH2+]CC1 ZINC000022045647 177041455 /nfs/dbraw/zinc/04/14/55/177041455.db2.gz FPQJFSJORPGKPU-LLVKDONJSA-N 2 2 238.762 2.696 20 0 BFADLP C[C@H](c1ccccc1Cl)[N@H+]1CCC[NH2+]CC1 ZINC000022045647 177041456 /nfs/dbraw/zinc/04/14/56/177041456.db2.gz FPQJFSJORPGKPU-LLVKDONJSA-N 2 2 238.762 2.696 20 0 BFADLP C[C@H]1CCCC[C@H]1C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000341487732 177085797 /nfs/dbraw/zinc/08/57/97/177085797.db2.gz PPZHSZOXPCZEIN-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+]C2CCCCC2)C1 ZINC000053341532 177098739 /nfs/dbraw/zinc/09/87/39/177098739.db2.gz YTMAUMPNVTWTAS-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+]C2CCCCC2)C1 ZINC000053341532 177098741 /nfs/dbraw/zinc/09/87/41/177098741.db2.gz YTMAUMPNVTWTAS-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CCC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000336605153 177110327 /nfs/dbraw/zinc/11/03/27/177110327.db2.gz XEWIXGDECFNRGR-NSHDSACASA-N 2 2 247.367 2.918 20 0 BFADLP C[C@H]1CCC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000336605153 177110330 /nfs/dbraw/zinc/11/03/30/177110330.db2.gz XEWIXGDECFNRGR-NSHDSACASA-N 2 2 247.367 2.918 20 0 BFADLP C[C@H]1CCC[C@H]1C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000341455566 177140917 /nfs/dbraw/zinc/14/09/17/177140917.db2.gz CCEYZTQGGDYGAS-STQMWFEESA-N 2 2 243.354 2.860 20 0 BFADLP C[C@H]1CC[NH2+]CC[N@@H+]1Cc1cccc(Cl)c1 ZINC000062619234 177174610 /nfs/dbraw/zinc/17/46/10/177174610.db2.gz YMMPMCVOFGOCCU-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@H]1CC[NH2+]CC[N@H+]1Cc1cccc(Cl)c1 ZINC000062619234 177174612 /nfs/dbraw/zinc/17/46/12/177174612.db2.gz YMMPMCVOFGOCCU-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@H]1CC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336792100 177207494 /nfs/dbraw/zinc/20/74/94/177207494.db2.gz QOFYJYIZTZJUNS-SWLSCSKDSA-N 2 2 241.338 2.760 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358385025 177238579 /nfs/dbraw/zinc/23/85/79/177238579.db2.gz QKTWSVQIDBZULC-SQWLQELKSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358385025 177238582 /nfs/dbraw/zinc/23/85/82/177238582.db2.gz QKTWSVQIDBZULC-SQWLQELKSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H]1C[N@H+](Cc2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000271876724 177265021 /nfs/dbraw/zinc/26/50/21/177265021.db2.gz UCCGEMVANXDTTE-GFCCVEGCSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1C[N@@H+](Cc2cccc3[nH+]ccn32)C(C)(C)C1 ZINC000271876724 177265022 /nfs/dbraw/zinc/26/50/22/177265022.db2.gz UCCGEMVANXDTTE-GFCCVEGCSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1C[C@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000336594814 177317255 /nfs/dbraw/zinc/31/72/55/177317255.db2.gz MWWRXEYWRPCKNW-NEPJUHHUSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000336594814 177317257 /nfs/dbraw/zinc/31/72/57/177317257.db2.gz MWWRXEYWRPCKNW-NEPJUHHUSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C[N@@H+]1C1CC1 ZINC000128765571 177330537 /nfs/dbraw/zinc/33/05/37/177330537.db2.gz JFGFZDPMFGDFRC-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C[N@H+]1C1CC1 ZINC000128765571 177330539 /nfs/dbraw/zinc/33/05/39/177330539.db2.gz JFGFZDPMFGDFRC-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C[N@@H+]1C1CC1 ZINC000128151393 177331224 /nfs/dbraw/zinc/33/12/24/177331224.db2.gz IYMOATCHIFSJTK-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C[N@H+]1C1CC1 ZINC000128151393 177331225 /nfs/dbraw/zinc/33/12/25/177331225.db2.gz IYMOATCHIFSJTK-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@H](C)C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000183462205 177358652 /nfs/dbraw/zinc/35/86/52/177358652.db2.gz AJBJBYOIRKDUDL-STQMWFEESA-N 2 2 243.354 2.812 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000119409435 177369613 /nfs/dbraw/zinc/36/96/13/177369613.db2.gz UIBIAMGXCJKDQO-BBRMVZONSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000119409435 177369614 /nfs/dbraw/zinc/36/96/14/177369614.db2.gz UIBIAMGXCJKDQO-BBRMVZONSA-N 2 2 244.382 2.792 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)C2CCC2)C1 ZINC000324721197 487639990 /nfs/dbraw/zinc/63/99/90/487639990.db2.gz YIBLKOCVXOCAKC-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](CC)C2CCC2)C1 ZINC000324721197 487639993 /nfs/dbraw/zinc/63/99/93/487639993.db2.gz YIBLKOCVXOCAKC-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCCC1 ZINC000313404081 487641473 /nfs/dbraw/zinc/64/14/73/487641473.db2.gz YAOTXHLTBKCIQA-JSGCOSHPSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1C[C@@H]1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000488419743 225393914 /nfs/dbraw/zinc/39/39/14/225393914.db2.gz PJNXWIAWDIGLIL-NWDGAFQWSA-N 2 2 243.354 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000328292056 487645081 /nfs/dbraw/zinc/64/50/81/487645081.db2.gz VBHWKFAXCNCWHS-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000328292056 487645087 /nfs/dbraw/zinc/64/50/87/487645087.db2.gz VBHWKFAXCNCWHS-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H](C)C1 ZINC000494409784 226264895 /nfs/dbraw/zinc/26/48/95/226264895.db2.gz CKMUBBDFNDARPS-RQJABVFESA-N 2 2 247.386 2.612 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000328448206 487687920 /nfs/dbraw/zinc/68/79/20/487687920.db2.gz CKLMCGYIHFUENK-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000328448206 487687923 /nfs/dbraw/zinc/68/79/23/487687923.db2.gz CKLMCGYIHFUENK-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC/C=C\CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681020607 487697527 /nfs/dbraw/zinc/69/75/27/487697527.db2.gz BPNQWKXINJZYCN-VQTKUKTRSA-N 2 2 233.359 2.876 20 0 BFADLP CC/C=C\CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000681020607 487697531 /nfs/dbraw/zinc/69/75/31/487697531.db2.gz BPNQWKXINJZYCN-VQTKUKTRSA-N 2 2 233.359 2.876 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)CCC[C@@H]2C)n1C ZINC000667651750 487698949 /nfs/dbraw/zinc/69/89/49/487698949.db2.gz HEJTYTQVWUSIML-NEPJUHHUSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)CCC[C@@H]2C)n1C ZINC000667651750 487698953 /nfs/dbraw/zinc/69/89/53/487698953.db2.gz HEJTYTQVWUSIML-NEPJUHHUSA-N 2 2 235.375 2.739 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397884262 262939597 /nfs/dbraw/zinc/93/95/97/262939597.db2.gz MNDULECLUJTBSL-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000328533676 487707468 /nfs/dbraw/zinc/70/74/68/487707468.db2.gz ZECNHNZFPGMZFP-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000328533676 487707469 /nfs/dbraw/zinc/70/74/69/487707469.db2.gz ZECNHNZFPGMZFP-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)C[C@H](C)C2)n1C ZINC000667695008 487721838 /nfs/dbraw/zinc/72/18/38/487721838.db2.gz HCRAJPSLFBONAS-RYUDHWBXSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)C[C@H](C)C2)n1C ZINC000667695008 487721839 /nfs/dbraw/zinc/72/18/39/487721839.db2.gz HCRAJPSLFBONAS-RYUDHWBXSA-N 2 2 235.375 2.597 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000233900326 487751572 /nfs/dbraw/zinc/75/15/72/487751572.db2.gz PVPWLLNDQFVGRX-NWDGAFQWSA-N 2 2 238.400 2.931 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000226499564 487753774 /nfs/dbraw/zinc/75/37/74/487753774.db2.gz UWKGYSLHQMHVEL-MCIONIFRSA-N 2 2 235.375 2.830 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1 ZINC000234052842 487757674 /nfs/dbraw/zinc/75/76/74/487757674.db2.gz QJUKEWLARRSNSS-CABCVRRESA-N 2 2 232.371 2.869 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000675748686 487773851 /nfs/dbraw/zinc/77/38/51/487773851.db2.gz GIYBRYCGPRTSBH-GUTXKFCHSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000675748686 487773855 /nfs/dbraw/zinc/77/38/55/487773855.db2.gz GIYBRYCGPRTSBH-GUTXKFCHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CCC[C@H]1[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675748751 487773554 /nfs/dbraw/zinc/77/35/54/487773554.db2.gz JRAUJXMXIRNHIZ-LJISPDSOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CCC[C@H]1[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675748751 487773556 /nfs/dbraw/zinc/77/35/56/487773556.db2.gz JRAUJXMXIRNHIZ-LJISPDSOSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000681411508 487797063 /nfs/dbraw/zinc/79/70/63/487797063.db2.gz DBBXWADNTDTMKN-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCC[C@H]2C)C1 ZINC000681411508 487797067 /nfs/dbraw/zinc/79/70/67/487797067.db2.gz DBBXWADNTDTMKN-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000251827023 487801006 /nfs/dbraw/zinc/80/10/06/487801006.db2.gz PRHNULXIQWJHPH-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000681489042 487805161 /nfs/dbraw/zinc/80/51/61/487805161.db2.gz UYFVFUQYMJAWAT-HOCLYGCPSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000681489042 487805166 /nfs/dbraw/zinc/80/51/66/487805166.db2.gz UYFVFUQYMJAWAT-HOCLYGCPSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651676320 487815375 /nfs/dbraw/zinc/81/53/75/487815375.db2.gz WIPHGLJGSIGNLZ-MJBXVCDLSA-N 2 2 235.375 2.830 20 0 BFADLP COc1cc[nH+]cc1COc1cc(C)[nH+]c(C)c1 ZINC000558072196 322945847 /nfs/dbraw/zinc/94/58/47/322945847.db2.gz SSTFWSOYOGIGAY-UHFFFAOYSA-N 2 2 244.294 2.681 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@@H]2CCCC[C@@H]2C)n1C ZINC000668115590 487843665 /nfs/dbraw/zinc/84/36/65/487843665.db2.gz CALBXOPPUATUMK-SMDDNHRTSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@@H]2CCCC[C@@H]2C)n1C ZINC000668115590 487843671 /nfs/dbraw/zinc/84/36/71/487843671.db2.gz CALBXOPPUATUMK-SMDDNHRTSA-N 2 2 235.375 2.739 20 0 BFADLP Fc1ccc(/C=C\C[NH2+]C[C@H]2CCCC[NH2+]2)cc1 ZINC000666769317 487854000 /nfs/dbraw/zinc/85/40/00/487854000.db2.gz YQRWHMOSDIGPJO-ABCZVMIZSA-N 2 2 248.345 2.571 20 0 BFADLP c1c2ccccc2oc1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666766805 487875382 /nfs/dbraw/zinc/87/53/82/487875382.db2.gz FUSWGTFMOYMTKW-CYBMUJFWSA-N 2 2 244.338 2.665 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000669846724 487879921 /nfs/dbraw/zinc/87/99/21/487879921.db2.gz PPGOPAVGTOULNR-HZSPNIEDSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCCF)C1 ZINC000669846724 487879925 /nfs/dbraw/zinc/87/99/25/487879925.db2.gz PPGOPAVGTOULNR-HZSPNIEDSA-N 2 2 242.382 2.589 20 0 BFADLP C[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@@H]1F ZINC000682029439 487883546 /nfs/dbraw/zinc/88/35/46/487883546.db2.gz OEAKKYGZHIIYCM-KGLIPLIRSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1F ZINC000682029439 487883550 /nfs/dbraw/zinc/88/35/50/487883550.db2.gz OEAKKYGZHIIYCM-KGLIPLIRSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2cscc2Cl)CC[NH2+]1 ZINC000666873268 487895439 /nfs/dbraw/zinc/89/54/39/487895439.db2.gz RKOFIOHPGYJRHT-WCBMZHEXSA-N 2 2 244.791 2.632 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235206279 487933759 /nfs/dbraw/zinc/93/37/59/487933759.db2.gz DEPWINOSPKABGJ-ZIAGYGMSSA-N 2 2 232.371 2.788 20 0 BFADLP CC[N@H+](CC[NH3+])[C@H](C)c1cccc(Cl)c1 ZINC000113604265 487951070 /nfs/dbraw/zinc/95/10/70/487951070.db2.gz WXUYUXRXZKCMDX-SNVBAGLBSA-N 2 2 226.751 2.682 20 0 BFADLP CC[N@@H+](CC[NH3+])[C@H](C)c1cccc(Cl)c1 ZINC000113604265 487951073 /nfs/dbraw/zinc/95/10/73/487951073.db2.gz WXUYUXRXZKCMDX-SNVBAGLBSA-N 2 2 226.751 2.682 20 0 BFADLP CC1(C)CCC[C@@H](C[NH2+][C@H](CC[NH3+])C(F)F)C1 ZINC000560973795 322993818 /nfs/dbraw/zinc/99/38/18/322993818.db2.gz QBQRSASSVBSWGK-GHMZBOCLSA-N 2 2 248.361 2.775 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000562426308 323019513 /nfs/dbraw/zinc/01/95/13/323019513.db2.gz LVEKFVPNQBRZOJ-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC000562426308 323019514 /nfs/dbraw/zinc/01/95/14/323019514.db2.gz LVEKFVPNQBRZOJ-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000562564756 323024598 /nfs/dbraw/zinc/02/45/98/323024598.db2.gz VJRBLMVYBHSQKR-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000562564756 323024599 /nfs/dbraw/zinc/02/45/99/323024599.db2.gz VJRBLMVYBHSQKR-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510358 323047126 /nfs/dbraw/zinc/04/71/26/323047126.db2.gz MPNPQBMMCJJNHE-BARDWOONSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)[NH+](C)C ZINC000408510729 323047250 /nfs/dbraw/zinc/04/72/50/323047250.db2.gz ZHXHHVRMPBTUSS-YJNKXOJESA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000570897367 323073570 /nfs/dbraw/zinc/07/35/70/323073570.db2.gz SFXFUTNKBPMNOM-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CCCC23CCC3)C1 ZINC000570897367 323073571 /nfs/dbraw/zinc/07/35/71/323073571.db2.gz SFXFUTNKBPMNOM-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000531691905 323111648 /nfs/dbraw/zinc/11/16/48/323111648.db2.gz YYUJSNDDATTZSP-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000531691905 323111649 /nfs/dbraw/zinc/11/16/49/323111649.db2.gz YYUJSNDDATTZSP-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP CCC1CC([NH2+][C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000563444547 323127005 /nfs/dbraw/zinc/12/70/05/323127005.db2.gz OLLONDSUYAHYFA-NFOMZHRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000571614336 323149279 /nfs/dbraw/zinc/14/92/79/323149279.db2.gz MIXCMIHLEPESOF-CQSZACIVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CC1 ZINC000571614336 323149280 /nfs/dbraw/zinc/14/92/80/323149280.db2.gz MIXCMIHLEPESOF-CQSZACIVSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414302565 323150407 /nfs/dbraw/zinc/15/04/07/323150407.db2.gz MQCOVWOFZDGBJT-RFGFWPKPSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000414302565 323150408 /nfs/dbraw/zinc/15/04/08/323150408.db2.gz MQCOVWOFZDGBJT-RFGFWPKPSA-N 2 2 238.419 2.741 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCCC12CCC2 ZINC000394862277 323151448 /nfs/dbraw/zinc/15/14/48/323151448.db2.gz MSWUTTPMYFFMCQ-AWEZNQCLSA-N 2 2 236.403 2.785 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCC12CCC2)[N@H+](C)C1CC1 ZINC000394870726 323151810 /nfs/dbraw/zinc/15/18/10/323151810.db2.gz SDJMNKLRQJZEDG-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCC12CCC2)[N@@H+](C)C1CC1 ZINC000394870726 323151811 /nfs/dbraw/zinc/15/18/11/323151811.db2.gz SDJMNKLRQJZEDG-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C)Cc1ccsc1 ZINC000049182367 323158599 /nfs/dbraw/zinc/15/85/99/323158599.db2.gz HUJWRVMZFPVLLI-LBPRGKRZSA-N 2 2 240.416 2.611 20 0 BFADLP C[C@@H]1CC[N@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000535745379 323190247 /nfs/dbraw/zinc/19/02/47/323190247.db2.gz NJCKZAPBCUTMIC-ILXRZTDVSA-N 2 2 247.386 2.784 20 0 BFADLP C[C@@H]1CC[N@@H+](CCn2cc[nH+]c2)[C@H]2CCCC[C@@H]12 ZINC000535745379 323190248 /nfs/dbraw/zinc/19/02/48/323190248.db2.gz NJCKZAPBCUTMIC-ILXRZTDVSA-N 2 2 247.386 2.784 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CCC1CCCC1 ZINC000563899063 323209419 /nfs/dbraw/zinc/20/94/19/323209419.db2.gz UPZAJRYBWSWPSG-UHFFFAOYSA-N 2 2 236.403 2.770 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@H+]2CCC1CCCC1 ZINC000563899063 323209420 /nfs/dbraw/zinc/20/94/20/323209420.db2.gz UPZAJRYBWSWPSG-UHFFFAOYSA-N 2 2 236.403 2.770 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530217680 323217215 /nfs/dbraw/zinc/21/72/15/323217215.db2.gz GWWWSECWFIPBJG-UKRRQHHQSA-N 2 2 244.382 2.930 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccs1 ZINC000530219386 323217908 /nfs/dbraw/zinc/21/79/08/323217908.db2.gz LLKYGHIWYIQTKU-PWSUYJOCSA-N 2 2 236.384 2.683 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000532532162 323274238 /nfs/dbraw/zinc/27/42/38/323274238.db2.gz HCGGQPDZWOWCGJ-BYNSBNAKSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000532532162 323274240 /nfs/dbraw/zinc/27/42/40/323274240.db2.gz HCGGQPDZWOWCGJ-BYNSBNAKSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1 ZINC000532531062 323274419 /nfs/dbraw/zinc/27/44/19/323274419.db2.gz GXDULRVMXGIVKK-GJZGRUSLSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CC[N@H+]2CC[C@H](C)C2)c1 ZINC000532531062 323274422 /nfs/dbraw/zinc/27/44/22/323274422.db2.gz GXDULRVMXGIVKK-GJZGRUSLSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2[C@H](C)CCC[C@H]2C)n1C ZINC000572135844 323550355 /nfs/dbraw/zinc/55/03/55/323550355.db2.gz NUROJLJYIJRCFI-GHMZBOCLSA-N 2 2 235.375 2.643 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CCCc2cccs2)n1C ZINC000572180231 323559947 /nfs/dbraw/zinc/55/99/47/323559947.db2.gz QYAKCVXTMVBRAW-UHFFFAOYSA-N 2 2 249.383 2.512 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccccc1Cl ZINC000396678904 323652484 /nfs/dbraw/zinc/65/24/84/323652484.db2.gz VBGALOQOFMEJNF-GWCFXTLKSA-N 2 2 238.762 2.570 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000122081797 324026007 /nfs/dbraw/zinc/02/60/07/324026007.db2.gz LMXSWTQLFLXVQH-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000537296516 324062699 /nfs/dbraw/zinc/06/26/99/324062699.db2.gz UFCXNVCXFDOZFY-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC(C)(C)C2)C1 ZINC000537296516 324062703 /nfs/dbraw/zinc/06/27/03/324062703.db2.gz UFCXNVCXFDOZFY-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000123015017 324076408 /nfs/dbraw/zinc/07/64/08/324076408.db2.gz RYTQRLGJRBZZLM-YRGRVCCFSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000123015017 324076410 /nfs/dbraw/zinc/07/64/10/324076410.db2.gz RYTQRLGJRBZZLM-YRGRVCCFSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000123014636 324076507 /nfs/dbraw/zinc/07/65/07/324076507.db2.gz RYTQRLGJRBZZLM-BZPMIXESSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000123014636 324076511 /nfs/dbraw/zinc/07/65/11/324076511.db2.gz RYTQRLGJRBZZLM-BZPMIXESSA-N 2 2 236.403 2.780 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CC=CC1 ZINC000529638712 324368685 /nfs/dbraw/zinc/36/86/85/324368685.db2.gz AINSIEZAJFRARD-UHFFFAOYSA-N 2 2 230.355 2.878 20 0 BFADLP c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530217990 324534859 /nfs/dbraw/zinc/53/48/59/324534859.db2.gz HYTPNOAVWYJPTM-CABCVRRESA-N 2 2 242.366 2.548 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000130167796 325020553 /nfs/dbraw/zinc/02/05/53/325020553.db2.gz UKGCIJPAOZGRHU-RWMBFGLXSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000130387309 325047364 /nfs/dbraw/zinc/04/73/64/325047364.db2.gz UTYKQRHYASFWHA-FRRDWIJNSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000131031511 325109632 /nfs/dbraw/zinc/10/96/32/325109632.db2.gz LCCJDVWIHBBHJI-QWHCGFSZSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000131031511 325109635 /nfs/dbraw/zinc/10/96/35/325109635.db2.gz LCCJDVWIHBBHJI-QWHCGFSZSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000543762294 325112559 /nfs/dbraw/zinc/11/25/59/325112559.db2.gz HQUPBODMGCQLCB-LXTVHRRPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000543762294 325112561 /nfs/dbraw/zinc/11/25/61/325112561.db2.gz HQUPBODMGCQLCB-LXTVHRRPSA-N 2 2 238.419 2.743 20 0 BFADLP CCCCC[N@H+](CCn1cc[nH+]c1)C(C)C ZINC000131106115 325117108 /nfs/dbraw/zinc/11/71/08/325117108.db2.gz YHHGLPBVOKKGPE-UHFFFAOYSA-N 2 2 223.364 2.784 20 0 BFADLP CCCCC[N@@H+](CCn1cc[nH+]c1)C(C)C ZINC000131106115 325117111 /nfs/dbraw/zinc/11/71/11/325117111.db2.gz YHHGLPBVOKKGPE-UHFFFAOYSA-N 2 2 223.364 2.784 20 0 BFADLP CC[C@H](C)[C@H](C)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000131137531 325121108 /nfs/dbraw/zinc/12/11/08/325121108.db2.gz CQEHEGFVPWAODU-STQMWFEESA-N 2 2 235.375 2.782 20 0 BFADLP CC[C@H](C)[C@H](C)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000131137531 325121110 /nfs/dbraw/zinc/12/11/10/325121110.db2.gz CQEHEGFVPWAODU-STQMWFEESA-N 2 2 235.375 2.782 20 0 BFADLP CC(C)[C@H]1CCC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000131351562 325140393 /nfs/dbraw/zinc/14/03/93/325140393.db2.gz XBXHPUQOZQRMBG-AWEZNQCLSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)[C@H]1CCC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000131351562 325140395 /nfs/dbraw/zinc/14/03/95/325140395.db2.gz XBXHPUQOZQRMBG-AWEZNQCLSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000545920936 325247034 /nfs/dbraw/zinc/24/70/34/325247034.db2.gz PIIRTVAPZQFZMF-CBBWQLFWSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000545920936 325247036 /nfs/dbraw/zinc/24/70/36/325247036.db2.gz PIIRTVAPZQFZMF-CBBWQLFWSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@H]1CC[C@@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000552043652 325590726 /nfs/dbraw/zinc/59/07/26/325590726.db2.gz WXJUODJVXGSBLD-KGLIPLIRSA-N 2 2 247.386 2.908 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000566672622 326072602 /nfs/dbraw/zinc/07/26/02/326072602.db2.gz QNCSVARZVWIRHN-VHDGCEQUSA-N 2 2 232.371 2.855 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000567259658 326152094 /nfs/dbraw/zinc/15/20/94/326152094.db2.gz NEOOTLIWLIUOFF-HUUCEWRRSA-N 2 2 232.371 2.711 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3ccco3)n2c1 ZINC000155605240 326203211 /nfs/dbraw/zinc/20/32/11/326203211.db2.gz UUTRSKIJZQERNW-UHFFFAOYSA-N 2 2 241.294 2.526 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000156709418 326240563 /nfs/dbraw/zinc/24/05/63/326240563.db2.gz VCMJXTMQWKJVHF-UKRRQHHQSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000156709418 326240565 /nfs/dbraw/zinc/24/05/65/326240565.db2.gz VCMJXTMQWKJVHF-UKRRQHHQSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1c[nH+]ccc1CC[N@@H+](C)Cc1ccoc1 ZINC000567778511 326257936 /nfs/dbraw/zinc/25/79/36/326257936.db2.gz ILIKWDHOECLQIP-UHFFFAOYSA-N 2 2 230.311 2.658 20 0 BFADLP Cc1c[nH+]ccc1CC[N@H+](C)Cc1ccoc1 ZINC000567778511 326257939 /nfs/dbraw/zinc/25/79/39/326257939.db2.gz ILIKWDHOECLQIP-UHFFFAOYSA-N 2 2 230.311 2.658 20 0 BFADLP CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000568296263 326343088 /nfs/dbraw/zinc/34/30/88/326343088.db2.gz DEIGKNNWQJFYDA-CHWSQXEVSA-N 2 2 235.375 2.644 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000568356911 326348824 /nfs/dbraw/zinc/34/88/24/326348824.db2.gz CVJBEPVJKRVOHO-LBPRGKRZSA-N 2 2 214.397 2.741 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000568356911 326348825 /nfs/dbraw/zinc/34/88/25/326348825.db2.gz CVJBEPVJKRVOHO-LBPRGKRZSA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000568527692 326363077 /nfs/dbraw/zinc/36/30/77/326363077.db2.gz XXKROMWXYPZRGG-CHWSQXEVSA-N 2 2 235.375 2.616 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000568527692 326363080 /nfs/dbraw/zinc/36/30/80/326363080.db2.gz XXKROMWXYPZRGG-CHWSQXEVSA-N 2 2 235.375 2.616 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000569309671 326399554 /nfs/dbraw/zinc/39/95/54/326399554.db2.gz QKJDGAHMZGGYIS-SGMGOOAPSA-N 2 2 238.419 2.883 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000569309671 326399555 /nfs/dbraw/zinc/39/95/55/326399555.db2.gz QKJDGAHMZGGYIS-SGMGOOAPSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000235510413 487975169 /nfs/dbraw/zinc/97/51/69/487975169.db2.gz MDZOGQGEDXGOKD-SMDDNHRTSA-N 2 2 236.334 2.618 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c(C)o1 ZINC000235510096 487975190 /nfs/dbraw/zinc/97/51/90/487975190.db2.gz BQRULQIXLADHFC-WCQYABFASA-N 2 2 236.359 2.689 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000134288628 487978349 /nfs/dbraw/zinc/97/83/49/487978349.db2.gz STGSRFIXXRZWPO-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000134288628 487978354 /nfs/dbraw/zinc/97/83/54/487978354.db2.gz STGSRFIXXRZWPO-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)s1 ZINC000396637558 487992186 /nfs/dbraw/zinc/99/21/86/487992186.db2.gz LSEQQRUJMUCOEC-ZWNOBZJWSA-N 2 2 238.400 2.541 20 0 BFADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+][C@H](C)C1CCC1 ZINC000668616780 488010289 /nfs/dbraw/zinc/01/02/89/488010289.db2.gz QSEQJLYAXAYJOU-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(CC)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000668616588 488010330 /nfs/dbraw/zinc/01/03/30/488010330.db2.gz DYAREULIUFVESU-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@H+](Cc1cscc1Cl)C1CC[NH2+]CC1 ZINC000309643229 488011372 /nfs/dbraw/zinc/01/13/72/488011372.db2.gz PIBHOQIFKGLLHV-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP C[N@@H+](Cc1cscc1Cl)C1CC[NH2+]CC1 ZINC000309643229 488011373 /nfs/dbraw/zinc/01/13/73/488011373.db2.gz PIBHOQIFKGLLHV-UHFFFAOYSA-N 2 2 244.791 2.585 20 0 BFADLP Cc1[nH+]cc(C[NH+](CC(C)C)CC(C)C)n1C ZINC000667471193 488017295 /nfs/dbraw/zinc/01/72/95/488017295.db2.gz ZYOLELYHTRDZSI-UHFFFAOYSA-N 2 2 237.391 2.843 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](CC(C)C)C2)n1C ZINC000667621604 488061215 /nfs/dbraw/zinc/06/12/15/488061215.db2.gz PNLWZYFBZNIDEI-ZDUSSCGKSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](CC(C)C)C2)n1C ZINC000667621604 488061219 /nfs/dbraw/zinc/06/12/19/488061219.db2.gz PNLWZYFBZNIDEI-ZDUSSCGKSA-N 2 2 235.375 2.597 20 0 BFADLP CCC1(CC)CC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667621353 488061053 /nfs/dbraw/zinc/06/10/53/488061053.db2.gz GYTNSUQSEJRPKL-UHFFFAOYSA-N 2 2 235.375 2.741 20 0 BFADLP CCC1(CC)CC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667621353 488061058 /nfs/dbraw/zinc/06/10/58/488061058.db2.gz GYTNSUQSEJRPKL-UHFFFAOYSA-N 2 2 235.375 2.741 20 0 BFADLP CCC[C@@H]1CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667673943 488082875 /nfs/dbraw/zinc/08/28/75/488082875.db2.gz SPTBAJYMZMOGTD-CYBMUJFWSA-N 2 2 247.386 2.841 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667785293 488119831 /nfs/dbraw/zinc/11/98/31/488119831.db2.gz LIUYHJKVYZBJDH-APIJFGDWSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667785293 488119835 /nfs/dbraw/zinc/11/98/35/488119835.db2.gz LIUYHJKVYZBJDH-APIJFGDWSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667785296 488120247 /nfs/dbraw/zinc/12/02/47/488120247.db2.gz LIUYHJKVYZBJDH-XGUBFFRZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667785296 488120253 /nfs/dbraw/zinc/12/02/53/488120253.db2.gz LIUYHJKVYZBJDH-XGUBFFRZSA-N 2 2 236.403 2.639 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2C2CC2)C1 ZINC000094528207 487538991 /nfs/dbraw/zinc/53/89/91/487538991.db2.gz YDHVDRBTXQHLEJ-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2C2CC2)C1 ZINC000094528207 487538995 /nfs/dbraw/zinc/53/89/95/487538995.db2.gz YDHVDRBTXQHLEJ-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@H](C)C(C)(C)C ZINC000308778200 487470990 /nfs/dbraw/zinc/47/09/90/487470990.db2.gz BIYZLVMEJUOICL-LBPRGKRZSA-N 2 2 214.397 2.598 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H](C)C(C)(C)C ZINC000308778200 487470994 /nfs/dbraw/zinc/47/09/94/487470994.db2.gz BIYZLVMEJUOICL-LBPRGKRZSA-N 2 2 214.397 2.598 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000393916370 487474790 /nfs/dbraw/zinc/47/47/90/487474790.db2.gz JFKDXYXDYOTNHD-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000393916370 487474792 /nfs/dbraw/zinc/47/47/92/487474792.db2.gz JFKDXYXDYOTNHD-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000304231337 487482340 /nfs/dbraw/zinc/48/23/40/487482340.db2.gz AUQXZQKDQDDSFX-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)C(C)(C)C)C1 ZINC000304231337 487482344 /nfs/dbraw/zinc/48/23/44/487482344.db2.gz AUQXZQKDQDDSFX-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)[N@H+](C)C1CC1 ZINC000304302513 487486798 /nfs/dbraw/zinc/48/67/98/487486798.db2.gz PFIOEXCXBXWBPH-VXGBXAGGSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](C[NH2+]C[C@@H](C)C(C)(C)C)[N@@H+](C)C1CC1 ZINC000304302513 487486802 /nfs/dbraw/zinc/48/68/02/487486802.db2.gz PFIOEXCXBXWBPH-VXGBXAGGSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)[NH+](C)C ZINC000393966080 487493729 /nfs/dbraw/zinc/49/37/29/487493729.db2.gz ZHXHHVRMPBTUSS-KBXIAJHMSA-N 2 2 238.419 2.741 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000130325639 487496712 /nfs/dbraw/zinc/49/67/12/487496712.db2.gz UFQZBHXJVBYJSL-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000130325459 487496727 /nfs/dbraw/zinc/49/67/27/487496727.db2.gz UFQZBHXJVBYJSL-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000685450330 487526189 /nfs/dbraw/zinc/52/61/89/487526189.db2.gz YZVFKMUUXYORTN-HOCLYGCPSA-N 2 2 248.414 2.938 20 0 BFADLP CCC(CC)[N@H+](Cc1c[nH+]c(C)n1C)C1CC1 ZINC000667498731 487595962 /nfs/dbraw/zinc/59/59/62/487595962.db2.gz SWIOGABGVJIVBD-UHFFFAOYSA-N 2 2 235.375 2.882 20 0 BFADLP CCC(CC)[N@@H+](Cc1c[nH+]c(C)n1C)C1CC1 ZINC000667498731 487595969 /nfs/dbraw/zinc/59/59/69/487595969.db2.gz SWIOGABGVJIVBD-UHFFFAOYSA-N 2 2 235.375 2.882 20 0 BFADLP CC[C@@H](C[NH+]1CCCC1)Nc1cc(C)cc[nH+]1 ZINC000675287915 487690626 /nfs/dbraw/zinc/69/06/26/487690626.db2.gz SAINSEIMMORBGQ-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)n1C ZINC000667695009 487721818 /nfs/dbraw/zinc/72/18/18/487721818.db2.gz HCRAJPSLFBONAS-VXGBXAGGSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)C[C@@H](C)C2)n1C ZINC000667695009 487721816 /nfs/dbraw/zinc/72/18/16/487721816.db2.gz HCRAJPSLFBONAS-VXGBXAGGSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C(C)C)CC2)n1C ZINC000667641898 488066511 /nfs/dbraw/zinc/06/65/11/488066511.db2.gz HLWWIVUOAGHCPU-AWEZNQCLSA-N 2 2 249.402 2.987 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C(C)C)CC2)n1C ZINC000667641898 488066515 /nfs/dbraw/zinc/06/65/15/488066515.db2.gz HLWWIVUOAGHCPU-AWEZNQCLSA-N 2 2 249.402 2.987 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000657561288 488137231 /nfs/dbraw/zinc/13/72/31/488137231.db2.gz FQCBAVJYOGRXJI-KBPBESRZSA-N 2 2 236.403 2.805 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000657561288 488137234 /nfs/dbraw/zinc/13/72/34/488137234.db2.gz FQCBAVJYOGRXJI-KBPBESRZSA-N 2 2 236.403 2.805 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1C ZINC000258932672 488143051 /nfs/dbraw/zinc/14/30/51/488143051.db2.gz PPSQXQWUBAMJEP-MRXNPFEDSA-N 2 2 246.398 2.844 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)C[C@H]2CC=CCC2)n1C ZINC000667970657 488171790 /nfs/dbraw/zinc/17/17/90/488171790.db2.gz PWAXEBWZVVVFQH-ZDUSSCGKSA-N 2 2 233.359 2.517 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)C[C@H]2CC=CCC2)n1C ZINC000667970657 488171794 /nfs/dbraw/zinc/17/17/94/488171794.db2.gz PWAXEBWZVVVFQH-ZDUSSCGKSA-N 2 2 233.359 2.517 20 0 BFADLP CCC[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667984658 488176289 /nfs/dbraw/zinc/17/62/89/488176289.db2.gz ZPEYMSUGYGYZSG-CYBMUJFWSA-N 2 2 235.375 2.883 20 0 BFADLP CCC[C@@H]1CCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667984658 488176292 /nfs/dbraw/zinc/17/62/92/488176292.db2.gz ZPEYMSUGYGYZSG-CYBMUJFWSA-N 2 2 235.375 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@H](C)C(C)(C)C2)n1C ZINC000667987991 488176894 /nfs/dbraw/zinc/17/68/94/488176894.db2.gz XWXRNOXFOWJRSL-NSHDSACASA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)n1C ZINC000667987991 488176897 /nfs/dbraw/zinc/17/68/97/488176897.db2.gz XWXRNOXFOWJRSL-NSHDSACASA-N 2 2 235.375 2.597 20 0 BFADLP c1[nH+]c2ccccn2c1C[NH+]1CCC2(CC2)CC1 ZINC000677718073 488190605 /nfs/dbraw/zinc/19/06/05/488190605.db2.gz WTXVVWPCFWSCRB-UHFFFAOYSA-N 2 2 241.338 2.710 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668047485 488195162 /nfs/dbraw/zinc/19/51/62/488195162.db2.gz CKLAOBQZCTZPRY-JHJVBQTASA-N 2 2 247.386 2.696 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668047485 488195163 /nfs/dbraw/zinc/19/51/63/488195163.db2.gz CKLAOBQZCTZPRY-JHJVBQTASA-N 2 2 247.386 2.696 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000668154890 488210876 /nfs/dbraw/zinc/21/08/76/488210876.db2.gz ZJYZWCNSWAZVCB-IMJJTQAJSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000668154888 488211021 /nfs/dbraw/zinc/21/10/21/488211021.db2.gz ZJYZWCNSWAZVCB-BPUTZDHNSA-N 2 2 246.398 2.862 20 0 BFADLP Cc1ccoc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235304 488223540 /nfs/dbraw/zinc/22/35/40/488223540.db2.gz QLMMKHFWQUXCQW-ZDUSSCGKSA-N 2 2 245.326 2.622 20 0 BFADLP Cc1ccoc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000678235304 488223541 /nfs/dbraw/zinc/22/35/41/488223541.db2.gz QLMMKHFWQUXCQW-ZDUSSCGKSA-N 2 2 245.326 2.622 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678823982 488287902 /nfs/dbraw/zinc/28/79/02/488287902.db2.gz STYZAAWZCUOGPB-UONOGXRCSA-N 2 2 235.375 2.956 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000678823982 488287903 /nfs/dbraw/zinc/28/79/03/488287903.db2.gz STYZAAWZCUOGPB-UONOGXRCSA-N 2 2 235.375 2.956 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000673627405 488298257 /nfs/dbraw/zinc/29/82/57/488298257.db2.gz MHIIDIOBXVCDFB-BBRMVZONSA-N 2 2 244.382 2.822 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000673627405 488298259 /nfs/dbraw/zinc/29/82/59/488298259.db2.gz MHIIDIOBXVCDFB-BBRMVZONSA-N 2 2 244.382 2.822 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C)Cc1cccs1 ZINC000070851235 490241757 /nfs/dbraw/zinc/24/17/57/490241757.db2.gz CLDLQDLFOYDQDD-GFCCVEGCSA-N 2 2 240.416 2.611 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000657561097 490285680 /nfs/dbraw/zinc/28/56/80/490285680.db2.gz DRMNNXRSKFVWAG-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000657561097 490285672 /nfs/dbraw/zinc/28/56/72/490285672.db2.gz DRMNNXRSKFVWAG-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H](C[N@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539814 490357753 /nfs/dbraw/zinc/35/77/53/490357753.db2.gz NFSYAHFMSKPSSR-OAHLLOKOSA-N 2 2 246.398 2.674 20 0 BFADLP CC[C@H](C[N@@H+](C)CC1C[NH+](C)C1)c1ccccc1 ZINC000668539814 490357756 /nfs/dbraw/zinc/35/77/56/490357756.db2.gz NFSYAHFMSKPSSR-OAHLLOKOSA-N 2 2 246.398 2.674 20 0 BFADLP c1cn(-c2ccc(C[NH2+]C3CC=CC3)cc2)c[nH+]1 ZINC000125263221 490424391 /nfs/dbraw/zinc/42/43/91/490424391.db2.gz QWLYRXAQQWQVRF-UHFFFAOYSA-N 2 2 239.322 2.681 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000130964362 490465085 /nfs/dbraw/zinc/46/50/85/490465085.db2.gz FJOSELOYDFVBDG-CYBMUJFWSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2coc3ccccc23)C1 ZINC000130964362 490465089 /nfs/dbraw/zinc/46/50/89/490465089.db2.gz FJOSELOYDFVBDG-CYBMUJFWSA-N 2 2 244.338 2.617 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c[nH+]1 ZINC000668669621 490496610 /nfs/dbraw/zinc/49/66/10/490496610.db2.gz WUZBGSPQYANRHH-QDMKHBRRSA-N 2 2 230.355 2.711 20 0 BFADLP C[C@@H](CC1CCC1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000129042024 490597853 /nfs/dbraw/zinc/59/78/53/490597853.db2.gz DNEKOHCYOUPJPC-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)(C)C ZINC000131243037 490625300 /nfs/dbraw/zinc/62/53/00/490625300.db2.gz UKFFRXVHWSQEBB-JHJVBQTASA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)(C)C ZINC000131243037 490625301 /nfs/dbraw/zinc/62/53/01/490625301.db2.gz UKFFRXVHWSQEBB-JHJVBQTASA-N 2 2 238.419 2.883 20 0 BFADLP CC1(C)C[C@@H]([NH2+]C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000090167751 491123563 /nfs/dbraw/zinc/12/35/63/491123563.db2.gz CWRRFSVDGMNRKK-OAHLLOKOSA-N 2 2 244.382 2.792 20 0 BFADLP CC1(C)C[C@@H]([NH2+]C2CC2)C[N@H+]1Cc1ccccc1 ZINC000090167751 491123564 /nfs/dbraw/zinc/12/35/64/491123564.db2.gz CWRRFSVDGMNRKK-OAHLLOKOSA-N 2 2 244.382 2.792 20 0 BFADLP Cc1cccc(CCn2c[nH+]c3c2CCCC3)[nH+]1 ZINC000335517351 491132495 /nfs/dbraw/zinc/13/24/95/491132495.db2.gz ZMPNKDNYBYDTSL-UHFFFAOYSA-N 2 2 241.338 2.708 20 0 BFADLP Cc1[nH+]cn(CCc2[nH+]cc(C)cc2C)c1C ZINC000335621465 491132631 /nfs/dbraw/zinc/13/26/31/491132631.db2.gz JMESHZXMCWYVPG-UHFFFAOYSA-N 2 2 229.327 2.754 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]CC1(C)CCC1 ZINC000309982411 491159323 /nfs/dbraw/zinc/15/93/23/491159323.db2.gz WTYUCDQATOOPSQ-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]CC1(C)CCC1 ZINC000309982411 491159324 /nfs/dbraw/zinc/15/93/24/491159324.db2.gz WTYUCDQATOOPSQ-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000463700791 533901952 /nfs/dbraw/zinc/90/19/52/533901952.db2.gz ZAPWAYSHWSODFP-DZGCQCFKSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCC1=CCCCCC1 ZINC000463700791 533901963 /nfs/dbraw/zinc/90/19/63/533901963.db2.gz ZAPWAYSHWSODFP-DZGCQCFKSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)[C@H]1C ZINC000495048476 533945369 /nfs/dbraw/zinc/94/53/69/533945369.db2.gz QQWGWYSMFGOMPR-RDBSUJKOSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H]1C ZINC000494990039 533951622 /nfs/dbraw/zinc/95/16/22/533951622.db2.gz APZPPYKFSYNOIW-UXOAXIEHSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)[C@@H]1C ZINC000494990039 533951625 /nfs/dbraw/zinc/95/16/25/533951625.db2.gz APZPPYKFSYNOIW-UXOAXIEHSA-N 2 2 236.403 2.637 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000349034992 535611320 /nfs/dbraw/zinc/61/13/20/535611320.db2.gz OPVRCTSJDULYGB-ZNMIVQPWSA-N 2 2 238.419 2.981 20 0 BFADLP CCC[C@H](C)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000349034992 535611324 /nfs/dbraw/zinc/61/13/24/535611324.db2.gz OPVRCTSJDULYGB-ZNMIVQPWSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000488313262 534021702 /nfs/dbraw/zinc/02/17/02/534021702.db2.gz LOJMZCATVCCDSF-ILXRZTDVSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000488313262 534021711 /nfs/dbraw/zinc/02/17/11/534021711.db2.gz LOJMZCATVCCDSF-ILXRZTDVSA-N 2 2 236.403 2.593 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(Cl)c1 ZINC000086726709 535808935 /nfs/dbraw/zinc/80/89/35/535808935.db2.gz UAHWLGSYGOBKNM-QWHCGFSZSA-N 2 2 238.762 2.743 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000494414487 534258053 /nfs/dbraw/zinc/25/80/53/534258053.db2.gz PDWFBHQJHPITJZ-ZOBORPQBSA-N 2 2 247.386 2.612 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCC(C)(C)C1 ZINC000349372491 536363119 /nfs/dbraw/zinc/36/31/19/536363119.db2.gz UZTZZLSLVUVFRC-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC000169235978 536458200 /nfs/dbraw/zinc/45/82/00/536458200.db2.gz OCRBFTDOSKSQJJ-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1CC1CCCCCC1 ZINC000169235978 536458202 /nfs/dbraw/zinc/45/82/02/536458202.db2.gz OCRBFTDOSKSQJJ-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)C1CC([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000486906550 527629341 /nfs/dbraw/zinc/62/93/41/527629341.db2.gz UAEZOFKQYPVCFU-RYSNWHEDSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)C1CC([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000486906550 527629347 /nfs/dbraw/zinc/62/93/47/527629347.db2.gz UAEZOFKQYPVCFU-RYSNWHEDSA-N 2 2 236.403 2.636 20 0 BFADLP CCC[C@H](C[N@H+](C)CC[NH2+]C)c1ccccc1 ZINC000469865760 528130943 /nfs/dbraw/zinc/13/09/43/528130943.db2.gz ZCJWTTQTSBONID-OAHLLOKOSA-N 2 2 234.387 2.722 20 0 BFADLP CCC[C@H](C[N@@H+](C)CC[NH2+]C)c1ccccc1 ZINC000469865760 528130947 /nfs/dbraw/zinc/13/09/47/528130947.db2.gz ZCJWTTQTSBONID-OAHLLOKOSA-N 2 2 234.387 2.722 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502259914 528347755 /nfs/dbraw/zinc/34/77/55/528347755.db2.gz WYIBJEIHTAWXLO-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000502259914 528347759 /nfs/dbraw/zinc/34/77/59/528347759.db2.gz WYIBJEIHTAWXLO-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000335647963 534985731 /nfs/dbraw/zinc/98/57/31/534985731.db2.gz XLQFGTJJMAHUOS-CQSZACIVSA-N 2 2 244.338 2.663 20 0 BFADLP CC(C)C[NH+]1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352295725 535079078 /nfs/dbraw/zinc/07/90/78/535079078.db2.gz AQCJCLUDOMQWQL-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)C[N@@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352295725 535079062 /nfs/dbraw/zinc/07/90/62/535079062.db2.gz AQCJCLUDOMQWQL-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)C[N@H+]1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352295725 535079070 /nfs/dbraw/zinc/07/90/70/535079070.db2.gz AQCJCLUDOMQWQL-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)C[NH+]1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000352295725 535079072 /nfs/dbraw/zinc/07/90/72/535079072.db2.gz AQCJCLUDOMQWQL-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079978925 535300267 /nfs/dbraw/zinc/30/02/67/535300267.db2.gz VMWCYTUEWQLTRO-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079978925 535300271 /nfs/dbraw/zinc/30/02/71/535300271.db2.gz VMWCYTUEWQLTRO-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@H](C)C1)[NH+](C)C ZINC000070760274 535312937 /nfs/dbraw/zinc/31/29/37/535312937.db2.gz ZJMNSHMLDSMPJY-BFHYXJOUSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@@H](C)C1)[NH+](C)C ZINC000070760271 535313460 /nfs/dbraw/zinc/31/34/60/535313460.db2.gz ZJMNSHMLDSMPJY-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H]1CCC[C@@H]([NH2+]CC[NH+](C)C)C1 ZINC000230764443 535327424 /nfs/dbraw/zinc/32/74/24/535327424.db2.gz RJWSXZHPXRUOQH-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H](C)C[N@@H+](CC)C[C@H]([NH3+])CC(C)C ZINC000086440248 535510139 /nfs/dbraw/zinc/51/01/39/535510139.db2.gz LASYQKRXKRDKLV-CHWSQXEVSA-N 2 2 214.397 2.728 20 0 BFADLP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261593606 535506893 /nfs/dbraw/zinc/50/68/93/535506893.db2.gz WZGSRXLIMPNWMS-NWDGAFQWSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261593606 535506896 /nfs/dbraw/zinc/50/68/96/535506896.db2.gz WZGSRXLIMPNWMS-NWDGAFQWSA-N 2 2 212.381 2.624 20 0 BFADLP CC[C@@H](C)C[N@H+](CC)C[C@H]([NH3+])CC(C)C ZINC000086440248 535510137 /nfs/dbraw/zinc/51/01/37/535510137.db2.gz LASYQKRXKRDKLV-CHWSQXEVSA-N 2 2 214.397 2.728 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000250310595 535539164 /nfs/dbraw/zinc/53/91/64/535539164.db2.gz LTNPCCXCYHEEKK-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@H](C)c2ccccc2)C1 ZINC000250310595 535539170 /nfs/dbraw/zinc/53/91/70/535539170.db2.gz LTNPCCXCYHEEKK-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000349034991 535611686 /nfs/dbraw/zinc/61/16/86/535611686.db2.gz OPVRCTSJDULYGB-SOUVJXGZSA-N 2 2 238.419 2.981 20 0 BFADLP CCC[C@H](C)C[N@H+]1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000349034991 535611690 /nfs/dbraw/zinc/61/16/90/535611690.db2.gz OPVRCTSJDULYGB-SOUVJXGZSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H](C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182174651 536174226 /nfs/dbraw/zinc/17/42/26/536174226.db2.gz NCYKLLZGOKFSSJ-UONOGXRCSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182174651 536174230 /nfs/dbraw/zinc/17/42/30/536174230.db2.gz NCYKLLZGOKFSSJ-UONOGXRCSA-N 2 2 234.387 2.895 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCC(C)(C)C1 ZINC000349372491 536363115 /nfs/dbraw/zinc/36/31/15/536363115.db2.gz UZTZZLSLVUVFRC-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC1(C)CCC1 ZINC000447901400 537959487 /nfs/dbraw/zinc/95/94/87/537959487.db2.gz GTKARBLQZIJMDD-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]CC1(C)CCC1 ZINC000447901400 537959498 /nfs/dbraw/zinc/95/94/98/537959498.db2.gz GTKARBLQZIJMDD-CYBMUJFWSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000892787093 582983244 /nfs/dbraw/zinc/98/32/44/582983244.db2.gz YMLDDGASBGZIFU-OAHLLOKOSA-N 2 2 246.398 2.646 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@H]1CCc2ccccc21 ZINC000892787093 582983247 /nfs/dbraw/zinc/98/32/47/582983247.db2.gz YMLDDGASBGZIFU-OAHLLOKOSA-N 2 2 246.398 2.646 20 0 BFADLP Cc1coc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000894041076 583284320 /nfs/dbraw/zinc/28/43/20/583284320.db2.gz CATARXSXCGHWLM-AWEZNQCLSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1coc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000894041076 583284321 /nfs/dbraw/zinc/28/43/21/583284321.db2.gz CATARXSXCGHWLM-AWEZNQCLSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1coc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000894041077 583284620 /nfs/dbraw/zinc/28/46/20/583284620.db2.gz CATARXSXCGHWLM-CQSZACIVSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1coc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000894041077 583284623 /nfs/dbraw/zinc/28/46/23/583284623.db2.gz CATARXSXCGHWLM-CQSZACIVSA-N 2 2 248.370 2.506 20 0 BFADLP Clc1cccc(CCC[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894241663 583387766 /nfs/dbraw/zinc/38/77/66/583387766.db2.gz LKOZPISCNCNDED-UHFFFAOYSA-N 2 2 249.745 2.786 20 0 BFADLP CSc1cc(C)ccc1C[NH2+]Cc1c[nH+]c[nH]1 ZINC000894331361 583425188 /nfs/dbraw/zinc/42/51/88/583425188.db2.gz GIZAUSBYWHGTIH-UHFFFAOYSA-N 2 2 247.367 2.730 20 0 BFADLP CC1(C)C[C@@H]([NH2+]Cc2c[nH+]c[nH]2)c2ccccc21 ZINC000894346276 583430913 /nfs/dbraw/zinc/43/09/13/583430913.db2.gz ORWWKBVZAOMFFE-CQSZACIVSA-N 2 2 241.338 2.922 20 0 BFADLP Cc1cc(CC[NH2+]Cc2c[nH+]c[nH]2)ccc1Cl ZINC000894810332 583523583 /nfs/dbraw/zinc/52/35/83/583523583.db2.gz TZCRNCODYWTMLP-UHFFFAOYSA-N 2 2 249.745 2.704 20 0 BFADLP Cc1coc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000894859976 583533584 /nfs/dbraw/zinc/53/35/84/583533584.db2.gz QRVNJJLUESMRDK-HNNXBMFYSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1coc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000894859976 583533585 /nfs/dbraw/zinc/53/35/85/583533585.db2.gz QRVNJJLUESMRDK-HNNXBMFYSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1coc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000894859976 583533586 /nfs/dbraw/zinc/53/35/86/583533586.db2.gz QRVNJJLUESMRDK-HNNXBMFYSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1coc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000894859976 583533587 /nfs/dbraw/zinc/53/35/87/583533587.db2.gz QRVNJJLUESMRDK-HNNXBMFYSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1cc(F)ccc1C[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000895231846 583629161 /nfs/dbraw/zinc/62/91/61/583629161.db2.gz ULSJNVVIXHVJMG-NSHDSACASA-N 2 2 247.317 2.578 20 0 BFADLP FC(F)(F)C1(C[NH2+]Cc2c[nH+]c[nH]2)CCCC1 ZINC000895411990 583666856 /nfs/dbraw/zinc/66/68/56/583666856.db2.gz RYYKZNWZXZSZMH-UHFFFAOYSA-N 2 2 247.264 2.622 20 0 BFADLP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)CC2 ZINC000895415458 583667147 /nfs/dbraw/zinc/66/71/47/583667147.db2.gz VPUFXWQQVULLNG-ZDUSSCGKSA-N 2 2 247.729 2.840 20 0 BFADLP Clc1ccc2c(c1)[C@H]([NH2+]Cc1c[nH+]c[nH]1)CC2 ZINC000895415455 583667161 /nfs/dbraw/zinc/66/71/61/583667161.db2.gz VPUFXWQQVULLNG-CYBMUJFWSA-N 2 2 247.729 2.840 20 0 BFADLP Cc1ccc(CCC[NH+]2CCC(F)CC2)c[nH+]1 ZINC000895547204 583686804 /nfs/dbraw/zinc/68/68/04/583686804.db2.gz PWPTYYMIMLIXIY-UHFFFAOYSA-N 2 2 236.334 2.757 20 0 BFADLP Cc1ccc(CCC[N@@H+]2CC[C@H](CF)C2)c[nH+]1 ZINC000895572598 583691905 /nfs/dbraw/zinc/69/19/05/583691905.db2.gz JVWORSIYJDBRRI-CQSZACIVSA-N 2 2 236.334 2.614 20 0 BFADLP Cc1ccc(CCC[N@H+]2CC[C@H](CF)C2)c[nH+]1 ZINC000895572598 583691906 /nfs/dbraw/zinc/69/19/06/583691906.db2.gz JVWORSIYJDBRRI-CQSZACIVSA-N 2 2 236.334 2.614 20 0 BFADLP CCc1ccc(NCc2[nH+]ccn2C2CC2)[nH+]c1 ZINC000896029660 583765707 /nfs/dbraw/zinc/76/57/07/583765707.db2.gz FQVJISMDISXGTP-UHFFFAOYSA-N 2 2 242.326 2.788 20 0 BFADLP CC1(C[NH+]2CCC(Nc3cccc[nH+]3)CC2)CC1 ZINC000896194838 583782902 /nfs/dbraw/zinc/78/29/02/583782902.db2.gz GNLPLKZNTGRCKY-UHFFFAOYSA-N 2 2 245.370 2.758 20 0 BFADLP CC1=CC[C@@H]([NH2+]Cc2cc(N(C)C)cc[nH+]2)CC1 ZINC000896298250 583789061 /nfs/dbraw/zinc/78/90/61/583789061.db2.gz HMJBEJPGWFEOLB-CYBMUJFWSA-N 2 2 245.370 2.736 20 0 BFADLP CC1(C)C(C)(C)C1(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000898414979 584132254 /nfs/dbraw/zinc/13/22/54/584132254.db2.gz XQOZLZXSZMYCOY-UHFFFAOYSA-N 2 2 247.386 2.744 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C/C=C\Cl ZINC000898431933 584134981 /nfs/dbraw/zinc/13/49/81/584134981.db2.gz DFELOQMGVSACLZ-UTCJRWHESA-N 2 2 224.735 2.665 20 0 BFADLP Cc1ccc2cc([C@@H](C)[NH2+]CC3([NH3+])CC3)oc2c1 ZINC000902405489 584588971 /nfs/dbraw/zinc/58/89/71/584588971.db2.gz IDWUDQJYTUEEBF-LLVKDONJSA-N 2 2 244.338 2.883 20 0 BFADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CCCC1 ZINC000902438332 584596516 /nfs/dbraw/zinc/59/65/16/584596516.db2.gz MOAAMZYEHSKDEX-IUIKQTSFSA-N 2 2 244.382 2.779 20 0 BFADLP CC1(C)CCC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902435224 584596807 /nfs/dbraw/zinc/59/68/07/584596807.db2.gz AOFFUOMSIKJLRM-QLFBSQMISA-N 2 2 244.382 2.779 20 0 BFADLP C[C@@H](CC1CCC1)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902438827 584596997 /nfs/dbraw/zinc/59/69/97/584596997.db2.gz NMSHKXGEKIMRCB-IUIKQTSFSA-N 2 2 244.382 2.779 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CC1 ZINC000902438343 584597059 /nfs/dbraw/zinc/59/70/59/584597059.db2.gz MTAUEVINMAVALA-OAGGEKHMSA-N 2 2 244.382 2.635 20 0 BFADLP C[C@H]1CCCC[C@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902443115 584598219 /nfs/dbraw/zinc/59/82/19/584598219.db2.gz KDHLXWBTUFFJIH-AEAUEXCSSA-N 2 2 244.382 2.779 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000902445224 584598914 /nfs/dbraw/zinc/59/89/14/584598914.db2.gz PGDLFQGNFROHIL-RYUDHWBXSA-N 2 2 238.400 2.787 20 0 BFADLP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CC2)C2CCCC2)o1 ZINC000902413389 584599500 /nfs/dbraw/zinc/59/95/00/584599500.db2.gz LCQIUUUTVWQSFX-AWEZNQCLSA-N 2 2 248.370 2.900 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902446014 584599578 /nfs/dbraw/zinc/59/95/78/584599578.db2.gz NUMSCYTXFVIENY-WDEREUQCSA-N 2 2 238.400 2.705 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(C)c1 ZINC000902473281 584602030 /nfs/dbraw/zinc/60/20/30/584602030.db2.gz WWUWVZXJLCZMNJ-LUYZLQTOSA-N 2 2 244.382 2.847 20 0 BFADLP c1ccc([C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)cc1 ZINC000902475375 584602683 /nfs/dbraw/zinc/60/26/83/584602683.db2.gz JVBDIGJPHQPXHJ-QXSJWSMHSA-N 2 2 242.366 2.620 20 0 BFADLP Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902463725 584611995 /nfs/dbraw/zinc/61/19/95/584611995.db2.gz BAZYYTNCQONVJS-OBCWZRDOSA-N 2 2 248.345 2.678 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cs1 ZINC000902464017 584612534 /nfs/dbraw/zinc/61/25/34/584612534.db2.gz CFJCLBXVTTXMKR-GWNIPJSYSA-N 2 2 236.384 2.600 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(F)c1 ZINC000902464943 584613234 /nfs/dbraw/zinc/61/32/34/584613234.db2.gz FQYNWUJNJKJMRE-CBBWQLFWSA-N 2 2 248.345 2.759 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1 ZINC000902467910 584614710 /nfs/dbraw/zinc/61/47/10/584614710.db2.gz RLQNNAFCARDKPT-GBJTYRQASA-N 2 2 230.355 2.620 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccsc1 ZINC000902470430 584616926 /nfs/dbraw/zinc/61/69/26/584616926.db2.gz XDROXECNPHMTEI-UMSGYPCISA-N 2 2 236.384 2.682 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902735683 584662659 /nfs/dbraw/zinc/66/26/59/584662659.db2.gz IAZHLTJHTISSIN-QDMKHBRRSA-N 2 2 236.403 2.641 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902796790 584674802 /nfs/dbraw/zinc/67/48/02/584674802.db2.gz QGHGYAJHGMYFTO-QKPAOTATSA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000902796790 584674804 /nfs/dbraw/zinc/67/48/04/584674804.db2.gz QGHGYAJHGMYFTO-QKPAOTATSA-N 2 2 248.414 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000903055013 584721951 /nfs/dbraw/zinc/72/19/51/584721951.db2.gz VWWSXIGXRYRRJE-MCIONIFRSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000903055013 584721952 /nfs/dbraw/zinc/72/19/52/584721952.db2.gz VWWSXIGXRYRRJE-MCIONIFRSA-N 2 2 236.403 2.639 20 0 BFADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000903201792 584735341 /nfs/dbraw/zinc/73/53/41/584735341.db2.gz NNYJYSKICRTWFQ-CQSZACIVSA-N 2 2 247.386 2.816 20 0 BFADLP C[C@H](Nc1cccc(C2CC2)[nH+]1)c1[nH]cc[nH+]1 ZINC000903268725 584741571 /nfs/dbraw/zinc/74/15/71/584741571.db2.gz NKYRWCCSFSUHCI-VIFPVBQESA-N 2 2 228.299 2.855 20 0 BFADLP C[C@@H](Nc1cccc(C2CC2)[nH+]1)c1cn(C)c[nH+]1 ZINC000903268106 584741581 /nfs/dbraw/zinc/74/15/81/584741581.db2.gz QDIKFQSFHYKBCH-SNVBAGLBSA-N 2 2 242.326 2.866 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903301528 584745023 /nfs/dbraw/zinc/74/50/23/584745023.db2.gz RQQACFIOAYRICT-XDQVBPFNSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903301528 584745024 /nfs/dbraw/zinc/74/50/24/584745024.db2.gz RQQACFIOAYRICT-XDQVBPFNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(C2CCCCC2)CC1 ZINC000903447633 584770629 /nfs/dbraw/zinc/77/06/29/584770629.db2.gz AHSAXVQXXYYAAR-OCCSQVGLSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(C2CCCCC2)CC1 ZINC000903447633 584770631 /nfs/dbraw/zinc/77/06/31/584770631.db2.gz AHSAXVQXXYYAAR-OCCSQVGLSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000903713288 584793802 /nfs/dbraw/zinc/79/38/02/584793802.db2.gz LKRNAIAGUYDQPS-AWEZNQCLSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1CCC[C@H]([NH3+])C1 ZINC000903713288 584793803 /nfs/dbraw/zinc/79/38/03/584793803.db2.gz LKRNAIAGUYDQPS-AWEZNQCLSA-N 2 2 232.371 2.733 20 0 BFADLP Nc1cc[nH+]c(C[NH2+]CC2CCCCCC2)c1 ZINC000903950435 584830651 /nfs/dbraw/zinc/83/06/51/584830651.db2.gz NVIBWIOTOFBZNJ-UHFFFAOYSA-N 2 2 233.359 2.724 20 0 BFADLP C[C@@H]1CC([NH2+]Cc2cc(N)cc[nH+]2)C[C@@H](C)C1 ZINC000903951312 584831053 /nfs/dbraw/zinc/83/10/53/584831053.db2.gz VPOZIZPNKSSHQU-QWRGUYRKSA-N 2 2 233.359 2.578 20 0 BFADLP C[C@H](C[NH2+]Cc1cc(N)cc[nH+]1)c1ccccc1 ZINC000903953141 584831658 /nfs/dbraw/zinc/83/16/58/584831658.db2.gz ASBDHOGRGZHJKP-GFCCVEGCSA-N 2 2 241.338 2.557 20 0 BFADLP CC1(C)C[N@H+](C/C=C\c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000903987067 584835838 /nfs/dbraw/zinc/83/58/38/584835838.db2.gz XKOVRZGLOTXSCF-VQTKUKTRSA-N 2 2 248.345 2.508 20 0 BFADLP CC1(C)C[N@@H+](C/C=C\c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000903987067 584835840 /nfs/dbraw/zinc/83/58/40/584835840.db2.gz XKOVRZGLOTXSCF-VQTKUKTRSA-N 2 2 248.345 2.508 20 0 BFADLP CC1(C)C[N@H+](C/C=C\c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000903987060 584836249 /nfs/dbraw/zinc/83/62/49/584836249.db2.gz XKOVRZGLOTXSCF-NQHOJNORSA-N 2 2 248.345 2.508 20 0 BFADLP CC1(C)C[N@@H+](C/C=C\c2ccc(F)cc2)C[C@@H]1[NH3+] ZINC000903987060 584836250 /nfs/dbraw/zinc/83/62/50/584836250.db2.gz XKOVRZGLOTXSCF-NQHOJNORSA-N 2 2 248.345 2.508 20 0 BFADLP CC(C)c1ccc([N@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904333417 584866556 /nfs/dbraw/zinc/86/65/56/584866556.db2.gz YSWXRDQGHZNRSD-XBXGTLAGSA-N 2 2 232.371 2.984 20 0 BFADLP CC(C)c1ccc([N@@H+](C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000904333417 584866557 /nfs/dbraw/zinc/86/65/57/584866557.db2.gz YSWXRDQGHZNRSD-XBXGTLAGSA-N 2 2 232.371 2.984 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904354293 584870218 /nfs/dbraw/zinc/87/02/18/584870218.db2.gz DOQYINJEPXHGQW-YUMQZZPRSA-N 2 2 246.276 2.589 20 0 BFADLP Cc1ncccc1C[NH2+]C[C@H]([NH3+])CCC(C)(C)C ZINC000904381317 584876576 /nfs/dbraw/zinc/87/65/76/584876576.db2.gz UHLWEHFJIRXIGL-CQSZACIVSA-N 2 2 249.402 2.633 20 0 BFADLP Cc1ncccc1C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C ZINC000904381316 584876776 /nfs/dbraw/zinc/87/67/76/584876776.db2.gz UHLWEHFJIRXIGL-AWEZNQCLSA-N 2 2 249.402 2.633 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904380811 584876859 /nfs/dbraw/zinc/87/68/59/584876859.db2.gz HLJQSWFJYYKQEY-MRVPVSSYSA-N 2 2 246.276 2.542 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904380811 584876860 /nfs/dbraw/zinc/87/68/60/584876860.db2.gz HLJQSWFJYYKQEY-MRVPVSSYSA-N 2 2 246.276 2.542 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506147 584883152 /nfs/dbraw/zinc/88/31/52/584883152.db2.gz AQJAZLYDNPARJA-ZDUSSCGKSA-N 2 2 223.364 2.688 20 0 BFADLP c1cc(C[NH2+]CCCCNc2cccc[nH+]2)co1 ZINC000738430776 585045965 /nfs/dbraw/zinc/04/59/65/585045965.db2.gz PVUPQDYVYMSRKS-UHFFFAOYSA-N 2 2 245.326 2.657 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1CC2(CC(F)C2)C1 ZINC000839140889 585094529 /nfs/dbraw/zinc/09/45/29/585094529.db2.gz WJNPSHPICDBYLT-UHFFFAOYSA-N 2 2 248.345 2.757 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H](C)C3(C)CC3)c[nH+]c12 ZINC000742368727 585125008 /nfs/dbraw/zinc/12/50/08/585125008.db2.gz GYWCJDIZRBNVMO-LBPRGKRZSA-N 2 2 243.354 2.921 20 0 BFADLP FCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000759344426 585369476 /nfs/dbraw/zinc/36/94/76/585369476.db2.gz YTSHRCQTVIWSND-AWEZNQCLSA-N 2 2 242.382 2.544 20 0 BFADLP FCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000759344426 585369477 /nfs/dbraw/zinc/36/94/77/585369477.db2.gz YTSHRCQTVIWSND-AWEZNQCLSA-N 2 2 242.382 2.544 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)[C@H](C)c1ccccc1 ZINC000764618926 585469072 /nfs/dbraw/zinc/46/90/72/585469072.db2.gz SJRQIDGEXZELHM-LSDHHAIUSA-N 2 2 246.398 2.864 20 0 BFADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)cc1 ZINC000765769429 585492421 /nfs/dbraw/zinc/49/24/21/585492421.db2.gz UWDGDCVEOWUNGY-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)cc1 ZINC000765769429 585492422 /nfs/dbraw/zinc/49/24/22/585492422.db2.gz UWDGDCVEOWUNGY-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000765772923 585492490 /nfs/dbraw/zinc/49/24/90/585492490.db2.gz XTBXOZAKRJVRHO-HZPDHXFCSA-N 2 2 246.398 2.610 20 0 BFADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000765772923 585492491 /nfs/dbraw/zinc/49/24/91/585492491.db2.gz XTBXOZAKRJVRHO-HZPDHXFCSA-N 2 2 246.398 2.610 20 0 BFADLP CC(C)C[C@H](C[NH2+]C1CC(C(F)F)C1)[NH+](C)C ZINC000768675322 585541541 /nfs/dbraw/zinc/54/15/41/585541541.db2.gz JEFPHCCMLVZCHP-HTAVTVPLSA-N 2 2 248.361 2.596 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccoc2)C[C@@H]1C ZINC000769469944 585557962 /nfs/dbraw/zinc/55/79/62/585557962.db2.gz ICXUMMYNSTVUCW-JSGCOSHPSA-N 2 2 236.359 2.584 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccoc2)C[C@@H]1C ZINC000769469944 585557963 /nfs/dbraw/zinc/55/79/63/585557963.db2.gz ICXUMMYNSTVUCW-JSGCOSHPSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccoc2)C[C@@H]1C ZINC000769469944 585557964 /nfs/dbraw/zinc/55/79/64/585557964.db2.gz ICXUMMYNSTVUCW-JSGCOSHPSA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccoc2)C[C@@H]1C ZINC000769469944 585557965 /nfs/dbraw/zinc/55/79/65/585557965.db2.gz ICXUMMYNSTVUCW-JSGCOSHPSA-N 2 2 236.359 2.584 20 0 BFADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)Cc2ccccc21 ZINC000779460464 585755606 /nfs/dbraw/zinc/75/56/06/585755606.db2.gz OYNXZDGUMUSYCK-CYBMUJFWSA-N 2 2 241.338 2.502 20 0 BFADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)Cc2ccccc21 ZINC000779460464 585755607 /nfs/dbraw/zinc/75/56/07/585755607.db2.gz OYNXZDGUMUSYCK-CYBMUJFWSA-N 2 2 241.338 2.502 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)[NH+]1CCCCC1 ZINC000806132779 586404873 /nfs/dbraw/zinc/40/48/73/586404873.db2.gz ZZHUJCKCRFIDGM-BPLDGKMQSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H]1CCC=CO1 ZINC000809649420 586510871 /nfs/dbraw/zinc/51/08/71/586510871.db2.gz URWPBHQXWRTJNP-OAHLLOKOSA-N 2 2 246.354 2.605 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CCCCCCC1)C2 ZINC000810171722 586536150 /nfs/dbraw/zinc/53/61/50/586536150.db2.gz RDCCCNVPWGZKER-CYBMUJFWSA-N 2 2 247.386 2.970 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+]C1CCCCCCC1)CC2 ZINC000810171722 586536152 /nfs/dbraw/zinc/53/61/52/586536152.db2.gz RDCCCNVPWGZKER-CYBMUJFWSA-N 2 2 247.386 2.970 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000817907268 586837403 /nfs/dbraw/zinc/83/74/03/586837403.db2.gz ALRDTMKEZVUYGV-DZGCQCFKSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cc(F)ccc1[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000817954583 586850061 /nfs/dbraw/zinc/85/00/61/586850061.db2.gz ZGPOVUCLCRSMQP-WCQYABFASA-N 2 2 236.334 2.537 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817968695 586856868 /nfs/dbraw/zinc/85/68/68/586856868.db2.gz VWSMHSVTRMQSSO-VBNZEHGJSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000823836934 587242101 /nfs/dbraw/zinc/24/21/01/587242101.db2.gz MVHAZOFHKOFFJM-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC(C)(C)C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000823836934 587242103 /nfs/dbraw/zinc/24/21/03/587242103.db2.gz MVHAZOFHKOFFJM-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000834607501 587760700 /nfs/dbraw/zinc/76/07/00/587760700.db2.gz XWZNSQLNFQQRRG-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000834607501 587760701 /nfs/dbraw/zinc/76/07/01/587760701.db2.gz XWZNSQLNFQQRRG-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CC1(C[NH2+]c2ccc(OCC[NH3+])cc2)CCC1 ZINC000841054204 587939942 /nfs/dbraw/zinc/93/99/42/587939942.db2.gz JOPUFKXYUHMXCR-UHFFFAOYSA-N 2 2 234.343 2.626 20 0 BFADLP CC[C@@](C)([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000844312179 588183362 /nfs/dbraw/zinc/18/33/62/588183362.db2.gz JFUIMLMNFPLCLY-HZPDHXFCSA-N 2 2 246.398 2.996 20 0 BFADLP CC[C@@](C)([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000844312179 588183364 /nfs/dbraw/zinc/18/33/64/588183364.db2.gz JFUIMLMNFPLCLY-HZPDHXFCSA-N 2 2 246.398 2.996 20 0 BFADLP CC(C)c1ccccc1C[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000848529833 588393290 /nfs/dbraw/zinc/39/32/90/588393290.db2.gz RLCNLVXCYZDOKB-HNNXBMFYSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccccc1C[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000848529833 588393291 /nfs/dbraw/zinc/39/32/91/588393291.db2.gz RLCNLVXCYZDOKB-HNNXBMFYSA-N 2 2 246.398 2.994 20 0 BFADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000848575239 588398626 /nfs/dbraw/zinc/39/86/26/588398626.db2.gz MUNIQHXFOQRPIY-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCCC1 ZINC000848575239 588398628 /nfs/dbraw/zinc/39/86/28/588398628.db2.gz MUNIQHXFOQRPIY-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC2CCC2)C1 ZINC000851989178 588652481 /nfs/dbraw/zinc/65/24/81/588652481.db2.gz GHMYKBQLKMYFNT-AWEZNQCLSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC2CCC2)C1 ZINC000851989178 588652482 /nfs/dbraw/zinc/65/24/82/588652482.db2.gz GHMYKBQLKMYFNT-AWEZNQCLSA-N 2 2 247.386 2.790 20 0 BFADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000863546882 589298360 /nfs/dbraw/zinc/29/83/60/589298360.db2.gz OPRGIQSFFNNTCE-UHIISALHSA-N 2 2 236.334 2.535 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1cc2ccccc2s1 ZINC000863651445 589307063 /nfs/dbraw/zinc/30/70/63/589307063.db2.gz IVQSQOMPODQKAZ-JTQLQIEISA-N 2 2 234.368 2.680 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc2ccccc2s1 ZINC000863651445 589307065 /nfs/dbraw/zinc/30/70/65/589307065.db2.gz IVQSQOMPODQKAZ-JTQLQIEISA-N 2 2 234.368 2.680 20 0 BFADLP Cc1cc(Cl)cc(C)c1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863652532 589307624 /nfs/dbraw/zinc/30/76/24/589307624.db2.gz UJNSEGOIAIUUEO-LLVKDONJSA-N 2 2 240.778 2.736 20 0 BFADLP Cc1cc(Cl)cc(C)c1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000863652532 589307625 /nfs/dbraw/zinc/30/76/25/589307625.db2.gz UJNSEGOIAIUUEO-LLVKDONJSA-N 2 2 240.778 2.736 20 0 BFADLP Cc1cc2cc(C[N@@H+](C)C[C@@H](C)[NH3+])oc2cc1C ZINC000863653738 589308338 /nfs/dbraw/zinc/30/83/38/589308338.db2.gz OUBFKZHZPVKXNK-GFCCVEGCSA-N 2 2 246.354 2.829 20 0 BFADLP Cc1cc2cc(C[N@H+](C)C[C@@H](C)[NH3+])oc2cc1C ZINC000863653738 589308340 /nfs/dbraw/zinc/30/83/40/589308340.db2.gz OUBFKZHZPVKXNK-GFCCVEGCSA-N 2 2 246.354 2.829 20 0 BFADLP Cc1cccc(C[C@@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000866241264 589482306 /nfs/dbraw/zinc/48/23/06/589482306.db2.gz ZZAHRLBZPOWBLW-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000866241264 589482307 /nfs/dbraw/zinc/48/23/07/589482307.db2.gz ZZAHRLBZPOWBLW-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000866243043 589482475 /nfs/dbraw/zinc/48/24/75/589482475.db2.gz VQOKFMDLDRUXSU-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000866243043 589482476 /nfs/dbraw/zinc/48/24/76/589482476.db2.gz VQOKFMDLDRUXSU-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP C[N@H+](CC[C@H]1CC[NH2+]C1)c1cccc2cc[nH]c21 ZINC000866685772 589511654 /nfs/dbraw/zinc/51/16/54/589511654.db2.gz XRMCJQMNTOKQIK-GFCCVEGCSA-N 2 2 243.354 2.604 20 0 BFADLP C[N@@H+](CC[C@H]1CC[NH2+]C1)c1cccc2cc[nH]c21 ZINC000866685772 589511655 /nfs/dbraw/zinc/51/16/55/589511655.db2.gz XRMCJQMNTOKQIK-GFCCVEGCSA-N 2 2 243.354 2.604 20 0 BFADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866720034 589515014 /nfs/dbraw/zinc/51/50/14/589515014.db2.gz BNASOTLXZDICBV-HZPDHXFCSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C)c(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866720034 589515016 /nfs/dbraw/zinc/51/50/16/589515016.db2.gz BNASOTLXZDICBV-HZPDHXFCSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c(C)c1 ZINC000866726365 589516404 /nfs/dbraw/zinc/51/64/04/589516404.db2.gz ZKXULFLFWDDFAU-HOTGVXAUSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c(C)c1 ZINC000866726365 589516405 /nfs/dbraw/zinc/51/64/05/589516405.db2.gz ZKXULFLFWDDFAU-HOTGVXAUSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c(C)c1 ZINC000866726367 589516487 /nfs/dbraw/zinc/51/64/87/589516487.db2.gz ZKXULFLFWDDFAU-JKSUJKDBSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c(C)c1 ZINC000866726367 589516489 /nfs/dbraw/zinc/51/64/89/589516489.db2.gz ZKXULFLFWDDFAU-JKSUJKDBSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229221 590000286 /nfs/dbraw/zinc/00/02/86/590000286.db2.gz PNUHBIDMXSRYHI-JKSUJKDBSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC000873229219 590001155 /nfs/dbraw/zinc/00/11/55/590001155.db2.gz PNUHBIDMXSRYHI-HOTGVXAUSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229220 590001209 /nfs/dbraw/zinc/00/12/09/590001209.db2.gz PNUHBIDMXSRYHI-HZPDHXFCSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1cc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)ccc1F ZINC000873230838 590002703 /nfs/dbraw/zinc/00/27/03/590002703.db2.gz YOFHGRFMLGAQQZ-LSDHHAIUSA-N 2 2 248.345 2.508 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C ZINC000873292950 590023605 /nfs/dbraw/zinc/02/36/05/590023605.db2.gz GVMXSVRPZMIYIQ-WFASDCNBSA-N 2 2 246.398 2.725 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506146 590117227 /nfs/dbraw/zinc/11/72/27/590117227.db2.gz AQJAZLYDNPARJA-CYBMUJFWSA-N 2 2 223.364 2.688 20 0 BFADLP Cc1cc(C)cc(CC[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000877593365 590369103 /nfs/dbraw/zinc/36/91/03/590369103.db2.gz TUVFWNXVTCRHBL-UHFFFAOYSA-N 2 2 246.398 2.530 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878059460 590484699 /nfs/dbraw/zinc/48/46/99/590484699.db2.gz KNRKHFMHPCJTAB-RDFMZFSFSA-N 2 2 231.343 2.652 20 0 BFADLP C=C/C=C/CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000878059460 590484701 /nfs/dbraw/zinc/48/47/01/590484701.db2.gz KNRKHFMHPCJTAB-RDFMZFSFSA-N 2 2 231.343 2.652 20 0 BFADLP C=C/C=C\CC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000878239267 590528511 /nfs/dbraw/zinc/52/85/11/590528511.db2.gz DIKNNPWWMPZLQT-GEXIGZQTSA-N 2 2 222.376 2.581 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000878239267 590528513 /nfs/dbraw/zinc/52/85/13/590528513.db2.gz DIKNNPWWMPZLQT-GEXIGZQTSA-N 2 2 222.376 2.581 20 0 BFADLP C=C/C=C/CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000878282066 590532903 /nfs/dbraw/zinc/53/29/03/590532903.db2.gz QOZPYDTYTAJUNR-SSBHQGKESA-N 2 2 245.370 2.898 20 0 BFADLP C=C/C=C/CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000878282066 590532904 /nfs/dbraw/zinc/53/29/04/590532904.db2.gz QOZPYDTYTAJUNR-SSBHQGKESA-N 2 2 245.370 2.898 20 0 BFADLP C=C/C=C\CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000878282067 590533056 /nfs/dbraw/zinc/53/30/56/590533056.db2.gz QOZPYDTYTAJUNR-VQGNRHNMSA-N 2 2 245.370 2.898 20 0 BFADLP C=C/C=C\CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000878282067 590533057 /nfs/dbraw/zinc/53/30/57/590533057.db2.gz QOZPYDTYTAJUNR-VQGNRHNMSA-N 2 2 245.370 2.898 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CC1CC2(CCC2)C1 ZINC000878319044 590544405 /nfs/dbraw/zinc/54/44/05/590544405.db2.gz IFMPVCCUVGZNRW-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CC2(CCC2)C1 ZINC000878319044 590544406 /nfs/dbraw/zinc/54/44/06/590544406.db2.gz IFMPVCCUVGZNRW-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCCC2CC2)C1 ZINC000878517077 590585302 /nfs/dbraw/zinc/58/53/02/590585302.db2.gz ABTQDMDGECAUCA-CQSZACIVSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCCC2CC2)C1 ZINC000878517077 590585303 /nfs/dbraw/zinc/58/53/03/590585303.db2.gz ABTQDMDGECAUCA-CQSZACIVSA-N 2 2 247.386 2.790 20 0 BFADLP CCC1([NH+](C)C)CC[NH+](C/C=C\Cl)CC1 ZINC000879288102 590729357 /nfs/dbraw/zinc/72/93/57/590729357.db2.gz YQPZMJGOEADLLN-YVMONPNESA-N 2 2 230.783 2.545 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC000880133177 590933732 /nfs/dbraw/zinc/93/37/32/590933732.db2.gz ZXPGDKMUDOLWBO-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC000880133177 590933736 /nfs/dbraw/zinc/93/37/36/590933736.db2.gz ZXPGDKMUDOLWBO-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC000880133177 590933739 /nfs/dbraw/zinc/93/37/39/590933739.db2.gz ZXPGDKMUDOLWBO-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1CCCCC1 ZINC000880133177 590933742 /nfs/dbraw/zinc/93/37/42/590933742.db2.gz ZXPGDKMUDOLWBO-CABCVRRESA-N 2 2 236.403 2.735 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136346 590938537 /nfs/dbraw/zinc/93/85/37/590938537.db2.gz KQRCPNINWXOOPW-RRFJBIMHSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136346 590938538 /nfs/dbraw/zinc/93/85/38/590938538.db2.gz KQRCPNINWXOOPW-RRFJBIMHSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880136346 590938540 /nfs/dbraw/zinc/93/85/40/590938540.db2.gz KQRCPNINWXOOPW-RRFJBIMHSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880136346 590938541 /nfs/dbraw/zinc/93/85/41/590938541.db2.gz KQRCPNINWXOOPW-RRFJBIMHSA-N 2 2 238.419 2.837 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC(C)(C)C1 ZINC000880142662 590942259 /nfs/dbraw/zinc/94/22/59/590942259.db2.gz RRDLNBHRFXHZGA-ZIAGYGMSSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC1CC(C)(C)C1 ZINC000880142662 590942264 /nfs/dbraw/zinc/94/22/64/590942264.db2.gz RRDLNBHRFXHZGA-ZIAGYGMSSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC(C)(C)C1 ZINC000880142662 590942269 /nfs/dbraw/zinc/94/22/69/590942269.db2.gz RRDLNBHRFXHZGA-ZIAGYGMSSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC1CC(C)(C)C1 ZINC000880142662 590942274 /nfs/dbraw/zinc/94/22/74/590942274.db2.gz RRDLNBHRFXHZGA-ZIAGYGMSSA-N 2 2 236.403 2.591 20 0 BFADLP CCCCCC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000130253199 591451512 /nfs/dbraw/zinc/45/15/12/591451512.db2.gz KNGOULHHXOZBQW-STQMWFEESA-N 2 2 214.397 2.885 20 0 BFADLP CC[N@@H+]1CC[C@H]1CNc1cc[nH+]c2ccsc21 ZINC000882959676 591486219 /nfs/dbraw/zinc/48/62/19/591486219.db2.gz MZJREULUJVCNLC-JTQLQIEISA-N 2 2 247.367 2.802 20 0 BFADLP CC[N@H+]1CC[C@H]1CNc1cc[nH+]c2ccsc21 ZINC000882959676 591486220 /nfs/dbraw/zinc/48/62/20/591486220.db2.gz MZJREULUJVCNLC-JTQLQIEISA-N 2 2 247.367 2.802 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883197095 591568986 /nfs/dbraw/zinc/56/89/86/591568986.db2.gz BVIZFVXXPIPPSM-UMVBOHGHSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883197095 591568991 /nfs/dbraw/zinc/56/89/91/591568991.db2.gz BVIZFVXXPIPPSM-UMVBOHGHSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883197096 591569422 /nfs/dbraw/zinc/56/94/22/591569422.db2.gz BVIZFVXXPIPPSM-VNHYZAJKSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883197096 591569423 /nfs/dbraw/zinc/56/94/23/591569423.db2.gz BVIZFVXXPIPPSM-VNHYZAJKSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1cc(N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c[nH+]c1C ZINC000883341947 591620128 /nfs/dbraw/zinc/62/01/28/591620128.db2.gz FLTHDYSGBVYXOV-NHYWBVRUSA-N 2 2 245.370 2.593 20 0 BFADLP Cc1cc(N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c[nH+]c1C ZINC000883341947 591620130 /nfs/dbraw/zinc/62/01/30/591620130.db2.gz FLTHDYSGBVYXOV-NHYWBVRUSA-N 2 2 245.370 2.593 20 0 BFADLP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH+]c1C ZINC000883341944 591620512 /nfs/dbraw/zinc/62/05/12/591620512.db2.gz FKKORTSQIADQAW-ZFWWWQNUSA-N 2 2 245.370 2.737 20 0 BFADLP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c[nH+]c1C ZINC000883341944 591620515 /nfs/dbraw/zinc/62/05/15/591620515.db2.gz FKKORTSQIADQAW-ZFWWWQNUSA-N 2 2 245.370 2.737 20 0 BFADLP Cc1cc(NC2CC[NH+](C3CC3)CC2)c[nH+]c1C ZINC000883342782 591623223 /nfs/dbraw/zinc/62/32/23/591623223.db2.gz MJYRIQPYAKLXOC-UHFFFAOYSA-N 2 2 245.370 2.737 20 0 BFADLP CC[N@@H+]1CC[C@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000883360017 591629148 /nfs/dbraw/zinc/62/91/48/591629148.db2.gz SCOFIXNZRXONBX-JZIMQPMSSA-N 2 2 248.345 2.523 20 0 BFADLP CC[N@H+]1CC[C@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000883360017 591629152 /nfs/dbraw/zinc/62/91/52/591629152.db2.gz SCOFIXNZRXONBX-JZIMQPMSSA-N 2 2 248.345 2.523 20 0 BFADLP CCc1ccc(NCc2[nH]c(C)c(C)[nH+]2)[nH+]c1 ZINC000883383964 591638771 /nfs/dbraw/zinc/63/87/71/591638771.db2.gz JMSOISGRLPIJCZ-UHFFFAOYSA-N 2 2 230.315 2.596 20 0 BFADLP C=C/C=C/CC[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000883425365 591658552 /nfs/dbraw/zinc/65/85/52/591658552.db2.gz SLMCWJHMPAYTCH-ONEGZZNKSA-N 2 2 232.327 2.568 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000883434478 591663760 /nfs/dbraw/zinc/66/37/60/591663760.db2.gz SJKWVXACZFYKGU-CWDCEQMOSA-N 2 2 242.366 2.677 20 0 BFADLP C=C/C=C/CC[N@H+]1CCc2ccccc2[C@@H]1C[NH3+] ZINC000883434478 591663763 /nfs/dbraw/zinc/66/37/63/591663763.db2.gz SJKWVXACZFYKGU-CWDCEQMOSA-N 2 2 242.366 2.677 20 0 BFADLP CC(C)CCCC[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000132326534 591702238 /nfs/dbraw/zinc/70/22/38/591702238.db2.gz NSDSJPRRBOTUHH-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CCCC[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000132326534 591702241 /nfs/dbraw/zinc/70/22/41/591702241.db2.gz NSDSJPRRBOTUHH-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000132487073 591713554 /nfs/dbraw/zinc/71/35/54/591713554.db2.gz ICDIMQUXGHJWQZ-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885937662 592110809 /nfs/dbraw/zinc/11/08/09/592110809.db2.gz GJAQGXLDBJYQKM-BYPUDFOVSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]C/C=C\c2cccc(F)c2)C1 ZINC000885937662 592110810 /nfs/dbraw/zinc/11/08/10/592110810.db2.gz GJAQGXLDBJYQKM-BYPUDFOVSA-N 2 2 248.345 2.523 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886841694 592363017 /nfs/dbraw/zinc/36/30/17/592363017.db2.gz SKDRFZJXKUKCSU-SRMRTMHVSA-N 2 2 248.414 2.626 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886841694 592363020 /nfs/dbraw/zinc/36/30/20/592363020.db2.gz SKDRFZJXKUKCSU-SRMRTMHVSA-N 2 2 248.414 2.626 20 0 BFADLP CC[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1C ZINC000091544804 632070144 /nfs/dbraw/zinc/07/01/44/632070144.db2.gz CMSPABUNRAPKGE-KGLIPLIRSA-N 2 2 232.371 2.949 20 0 BFADLP CC[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1C ZINC000091544804 632070153 /nfs/dbraw/zinc/07/01/53/632070153.db2.gz CMSPABUNRAPKGE-KGLIPLIRSA-N 2 2 232.371 2.949 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@H]1C ZINC000309463036 632098946 /nfs/dbraw/zinc/09/89/46/632098946.db2.gz OKIPLVFKVNOPLF-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@H]1C ZINC000309463036 632098957 /nfs/dbraw/zinc/09/89/57/632098957.db2.gz OKIPLVFKVNOPLF-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000251947487 635706645 /nfs/dbraw/zinc/70/66/45/635706645.db2.gz WMYQBPSNSGMWEW-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000251947487 635706650 /nfs/dbraw/zinc/70/66/50/635706650.db2.gz WMYQBPSNSGMWEW-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP Cl/C=C\C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000255693076 632697495 /nfs/dbraw/zinc/69/74/95/632697495.db2.gz IFUIUFRDMWMWKJ-IRBQFCFKSA-N 2 2 242.794 2.689 20 0 BFADLP Cl/C=C\C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000255693076 632697501 /nfs/dbraw/zinc/69/75/01/632697501.db2.gz IFUIUFRDMWMWKJ-IRBQFCFKSA-N 2 2 242.794 2.689 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCCC[C@H]1C)C1CC1 ZINC000249708073 633011337 /nfs/dbraw/zinc/01/13/37/633011337.db2.gz KMGJPLSQCISNQH-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCCC[C@H]1C)C1CC1 ZINC000249708073 633011340 /nfs/dbraw/zinc/01/13/40/633011340.db2.gz KMGJPLSQCISNQH-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415132631 635899491 /nfs/dbraw/zinc/89/94/91/635899491.db2.gz CSKGHVUBEJKAEW-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC000415132631 635899498 /nfs/dbraw/zinc/89/94/98/635899498.db2.gz CSKGHVUBEJKAEW-INIZCTEOSA-N 2 2 244.382 2.577 20 0 BFADLP C1=C[C@H](C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926838002 633190698 /nfs/dbraw/zinc/19/06/98/633190698.db2.gz QRBJEMFFZBMFGX-KKUMJFAQSA-N 2 2 234.387 2.559 20 0 BFADLP C1=C[C@H](C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926838002 633190703 /nfs/dbraw/zinc/19/07/03/633190703.db2.gz QRBJEMFFZBMFGX-KKUMJFAQSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000309810374 633766687 /nfs/dbraw/zinc/76/66/87/633766687.db2.gz YUUYCAZFQYFGJY-MQYQWHSLSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000309810374 633766695 /nfs/dbraw/zinc/76/66/95/633766695.db2.gz YUUYCAZFQYFGJY-MQYQWHSLSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000309810377 634013442 /nfs/dbraw/zinc/01/34/42/634013442.db2.gz YUUYCAZFQYFGJY-RFGFWPKPSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000309810377 634013444 /nfs/dbraw/zinc/01/34/44/634013444.db2.gz YUUYCAZFQYFGJY-RFGFWPKPSA-N 2 2 224.392 2.637 20 0 BFADLP CC[N@H+](CC[NH2+]C1CCCCCC1)C1CC1 ZINC000053341761 634167708 /nfs/dbraw/zinc/16/77/08/634167708.db2.gz YYIQJDNHUJXMKC-UHFFFAOYSA-N 2 2 224.392 2.783 20 0 BFADLP CC[N@@H+](CC[NH2+]C1CCCCCC1)C1CC1 ZINC000053341761 634167713 /nfs/dbraw/zinc/16/77/13/634167713.db2.gz YYIQJDNHUJXMKC-UHFFFAOYSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000053343191 634170766 /nfs/dbraw/zinc/17/07/66/634170766.db2.gz WMYQBPSNSGMWEW-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000053343191 634170769 /nfs/dbraw/zinc/17/07/69/634170769.db2.gz WMYQBPSNSGMWEW-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc(N[C@@H]2CC[NH2+]C23CCCC3)c[nH+]c1C ZINC000925765690 635177240 /nfs/dbraw/zinc/17/72/40/635177240.db2.gz GDYQENZATBRNHO-CQSZACIVSA-N 2 2 245.370 2.785 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000925173249 636350326 /nfs/dbraw/zinc/35/03/26/636350326.db2.gz XLZXBEIBTUYPLM-RQJABVFESA-N 2 2 247.386 2.785 20 0 BFADLP CC(C)C[C@H](C[NH2+]CC(C)(C)C)[NH+](C)C ZINC000041051197 636960578 /nfs/dbraw/zinc/96/05/78/636960578.db2.gz BXGLNCFCFHBMIK-GFCCVEGCSA-N 2 2 214.397 2.598 20 0 BFADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@]12C[C@H]1CCC2 ZINC000927121285 637037545 /nfs/dbraw/zinc/03/75/45/637037545.db2.gz KZHVVWYIAKUQOI-UGUYLWEFSA-N 2 2 248.414 2.783 20 0 BFADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@]12C[C@H]1CCC2 ZINC000927121285 637037555 /nfs/dbraw/zinc/03/75/55/637037555.db2.gz KZHVVWYIAKUQOI-UGUYLWEFSA-N 2 2 248.414 2.783 20 0 BFADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)[C@]12C[C@H]1CCC2 ZINC000927121283 637038340 /nfs/dbraw/zinc/03/83/40/637038340.db2.gz KZHVVWYIAKUQOI-FPCVCCKLSA-N 2 2 248.414 2.783 20 0 BFADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@]12C[C@H]1CCC2 ZINC000927121283 637038346 /nfs/dbraw/zinc/03/83/46/637038346.db2.gz KZHVVWYIAKUQOI-FPCVCCKLSA-N 2 2 248.414 2.783 20 0 BFADLP c1cn(CCCC[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)c[nH+]1 ZINC000924730746 637039923 /nfs/dbraw/zinc/03/99/23/637039923.db2.gz GQBLUFZBLGASJY-ZNMIVQPWSA-N 2 2 245.370 2.608 20 0 BFADLP c1cn(CCCC[NH2+]C2C[C@H]3CCC[C@@H]3C2)c[nH+]1 ZINC000902758560 637333177 /nfs/dbraw/zinc/33/31/77/637333177.db2.gz HQZXPGQFPAZJGI-ZIAGYGMSSA-N 2 2 247.386 2.832 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)c[nH+]1 ZINC000902758558 637333215 /nfs/dbraw/zinc/33/32/15/637333215.db2.gz HQZXPGQFPAZJGI-QDMKHBRRSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)CC2 ZINC000924790396 637366678 /nfs/dbraw/zinc/36/66/78/637366678.db2.gz FUUOGIJLQABCPH-LSDHHAIUSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)CC2 ZINC000924790396 637366680 /nfs/dbraw/zinc/36/66/80/637366680.db2.gz FUUOGIJLQABCPH-LSDHHAIUSA-N 2 2 244.382 2.666 20 0 BFADLP CC(C)(C)[NH2+]CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050598814 641192101 /nfs/dbraw/zinc/19/21/01/641192101.db2.gz JYMBTVHBFZLSNX-OAHLLOKOSA-N 2 2 246.398 2.864 20 0 BFADLP CC(C)(C)[NH2+]CC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000050598814 641192110 /nfs/dbraw/zinc/19/21/10/641192110.db2.gz JYMBTVHBFZLSNX-OAHLLOKOSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CCCC1 ZINC000252712831 643095474 /nfs/dbraw/zinc/09/54/74/643095474.db2.gz NNDQGIBVHRDOAV-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CCCC1 ZINC000252712831 643095481 /nfs/dbraw/zinc/09/54/81/643095481.db2.gz NNDQGIBVHRDOAV-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000234148879 643533260 /nfs/dbraw/zinc/53/32/60/643533260.db2.gz LUROBZJUKPRLRZ-WFASDCNBSA-N 2 2 232.371 2.652 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)C(C)C ZINC000251611702 644811325 /nfs/dbraw/zinc/81/13/25/644811325.db2.gz DPBIBCAARHGVLF-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)C(C)C ZINC000251611702 644811329 /nfs/dbraw/zinc/81/13/29/644811329.db2.gz DPBIBCAARHGVLF-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CCC[N@@H+]4CCCC[C@H]34)[C@@H]12 ZINC000926639990 645327581 /nfs/dbraw/zinc/32/75/81/645327581.db2.gz TWBGRVBVOGKUQB-YIDVYQOGSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CCC[N@H+]4CCCC[C@H]34)[C@@H]12 ZINC000926639990 645327584 /nfs/dbraw/zinc/32/75/84/645327584.db2.gz TWBGRVBVOGKUQB-YIDVYQOGSA-N 2 2 248.414 2.782 20 0 BFADLP C1=C(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000926717985 645381438 /nfs/dbraw/zinc/38/14/38/645381438.db2.gz XZBYFSUWGXNLMC-GJZGRUSLSA-N 2 2 234.387 2.703 20 0 BFADLP C1=C(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000926717985 645381446 /nfs/dbraw/zinc/38/14/46/645381446.db2.gz XZBYFSUWGXNLMC-GJZGRUSLSA-N 2 2 234.387 2.703 20 0 BFADLP CC1(C)C[C@]1(C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926721037 645384945 /nfs/dbraw/zinc/38/49/45/645384945.db2.gz GHPAINWYRLXKOJ-IPYPFGDCSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)C[C@]1(C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926721037 645384952 /nfs/dbraw/zinc/38/49/52/645384952.db2.gz GHPAINWYRLXKOJ-IPYPFGDCSA-N 2 2 236.403 2.782 20 0 BFADLP C1=CCC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926949571 645496665 /nfs/dbraw/zinc/49/66/65/645496665.db2.gz KHJZJHOGHPMKOY-JKSUJKDBSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CCC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926949571 645496671 /nfs/dbraw/zinc/49/66/71/645496671.db2.gz KHJZJHOGHPMKOY-JKSUJKDBSA-N 2 2 248.414 2.949 20 0 BFADLP CC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000925498956 646304474 /nfs/dbraw/zinc/30/44/74/646304474.db2.gz ULJLSIAGFCEQGZ-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000925498956 646304477 /nfs/dbraw/zinc/30/44/77/646304477.db2.gz ULJLSIAGFCEQGZ-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000929804307 646326547 /nfs/dbraw/zinc/32/65/47/646326547.db2.gz UCZJRVHYAOIXKU-OLZOCXBDSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000925610603 646361084 /nfs/dbraw/zinc/36/10/84/646361084.db2.gz HWEUMWWNAVFFEZ-IUODEOHRSA-N 2 2 244.338 2.500 20 0 BFADLP CC(C)C1([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926489417 646658970 /nfs/dbraw/zinc/65/89/70/646658970.db2.gz ICJYRZHKWQXCBE-KBPBESRZSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C1([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926489417 646658972 /nfs/dbraw/zinc/65/89/72/646658972.db2.gz ICJYRZHKWQXCBE-KBPBESRZSA-N 2 2 236.403 2.782 20 0 BFADLP CC(F)(F)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926494118 646662073 /nfs/dbraw/zinc/66/20/73/646662073.db2.gz CPVSTVLQMVZUMQ-NEPJUHHUSA-N 2 2 246.345 2.638 20 0 BFADLP CC(F)(F)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926494118 646662078 /nfs/dbraw/zinc/66/20/78/646662078.db2.gz CPVSTVLQMVZUMQ-NEPJUHHUSA-N 2 2 246.345 2.638 20 0 BFADLP CCC1([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926508376 646667693 /nfs/dbraw/zinc/66/76/93/646667693.db2.gz GHGLFHZWBJIDMU-OLZOCXBDSA-N 2 2 222.376 2.536 20 0 BFADLP CCC1([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926508376 646667695 /nfs/dbraw/zinc/66/76/95/646667695.db2.gz GHGLFHZWBJIDMU-OLZOCXBDSA-N 2 2 222.376 2.536 20 0 BFADLP C[C@H](C[NH2+]C1CCCCC1)[NH+]1CCCCC1 ZINC000038028192 712799498 /nfs/dbraw/zinc/79/94/98/712799498.db2.gz UQFSGAAOUAVRJG-CYBMUJFWSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1CCC1)[NH+]1CCCCC1 ZINC000393801677 710755616 /nfs/dbraw/zinc/75/56/16/710755616.db2.gz RLDHFAZHRYAZRR-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC2CCC1CC2)[N@H+](C)C1CC1 ZINC000382079973 710773939 /nfs/dbraw/zinc/77/39/39/710773939.db2.gz FAKZENLWFXNLHQ-CLTVBZQCSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC2CCC1CC2)[N@@H+](C)C1CC1 ZINC000382079973 710773941 /nfs/dbraw/zinc/77/39/41/710773941.db2.gz FAKZENLWFXNLHQ-CLTVBZQCSA-N 2 2 236.403 2.637 20 0 BFADLP CC[N@H+](CC[NH2+]CCC(C)(C)SC)C1CC1 ZINC000385844010 711017247 /nfs/dbraw/zinc/01/72/47/711017247.db2.gz OGPOIXNJOZBKCZ-UHFFFAOYSA-N 2 2 244.448 2.592 20 0 BFADLP CC[N@@H+](CC[NH2+]CCC(C)(C)SC)C1CC1 ZINC000385844010 711017249 /nfs/dbraw/zinc/01/72/49/711017249.db2.gz OGPOIXNJOZBKCZ-UHFFFAOYSA-N 2 2 244.448 2.592 20 0 BFADLP CCCC[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000049574913 711449475 /nfs/dbraw/zinc/44/94/75/711449475.db2.gz BIMQVMRERMWTIZ-CYBMUJFWSA-N 2 2 212.381 2.641 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723569637 711518247 /nfs/dbraw/zinc/51/82/47/711518247.db2.gz TXNPDVUZUWQYJM-STQMWFEESA-N 2 2 233.359 2.584 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC3(CC3)C2)CCC1 ZINC000723573740 711519241 /nfs/dbraw/zinc/51/92/41/711519241.db2.gz LMIQDTTXVVBBLF-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000724780927 711613885 /nfs/dbraw/zinc/61/38/85/711613885.db2.gz SPBPYDHRHXOGFO-JSGCOSHPSA-N 2 2 233.359 2.791 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)c(C)[nH+]1 ZINC000724780927 711613886 /nfs/dbraw/zinc/61/38/86/711613886.db2.gz SPBPYDHRHXOGFO-JSGCOSHPSA-N 2 2 233.359 2.791 20 0 BFADLP Cc1[nH]c(C[NH2+][C@@H](C)C2CCCC2)c(C)[nH+]1 ZINC000724790966 711614763 /nfs/dbraw/zinc/61/47/63/711614763.db2.gz OXBJTIBAAKVJGO-VIFPVBQESA-N 2 2 221.348 2.695 20 0 BFADLP Cc1cc(N[C@@H]2CCCC[C@H]2C[NH3+])c[nH+]c1C ZINC000925770197 711742617 /nfs/dbraw/zinc/74/26/17/711742617.db2.gz UDRPJPPBFHLBLV-GXTWGEPZSA-N 2 2 233.359 2.628 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C[C@@H]1CC=CCC1 ZINC000035258922 712172576 /nfs/dbraw/zinc/17/25/76/712172576.db2.gz LEKYEPVPUCQEEN-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1ccco1 ZINC000037156295 712549693 /nfs/dbraw/zinc/54/96/93/712549693.db2.gz VOPLBRNWGDEXHC-CYBMUJFWSA-N 2 2 247.342 2.681 20 0 BFADLP CC[C@H](C)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156098 712549762 /nfs/dbraw/zinc/54/97/62/712549762.db2.gz ZCEQYOAJNQYANJ-QWHCGFSZSA-N 2 2 237.391 2.934 20 0 BFADLP CC(C)C[C@H](C[NH+](C)C)[NH2+]C[C@H]1CC=CCC1 ZINC000037166551 712549823 /nfs/dbraw/zinc/54/98/23/712549823.db2.gz PXLGGUWDMWJTOB-LSDHHAIUSA-N 2 2 238.419 2.909 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156533 712549873 /nfs/dbraw/zinc/54/98/73/712549873.db2.gz IUTAQMTXXMAYCC-QWHCGFSZSA-N 2 2 237.391 2.932 20 0 BFADLP Cc1coc(C[NH2+]C2CC[NH+](C(C)C)CC2)c1 ZINC000718026314 712736392 /nfs/dbraw/zinc/73/63/92/712736392.db2.gz MTYHHKPEDDXBCR-UHFFFAOYSA-N 2 2 236.359 2.550 20 0 BFADLP C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+]1CCCCC1 ZINC000038028745 712800245 /nfs/dbraw/zinc/80/02/45/712800245.db2.gz JPEVJIJLGPJREU-HUUCEWRRSA-N 2 2 236.403 2.807 20 0 BFADLP Cc1cccc([C@@H](C)[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000720770050 712864637 /nfs/dbraw/zinc/86/46/37/712864637.db2.gz RKZBZPAXMMZKCA-OCCSQVGLSA-N 2 2 232.371 2.725 20 0 BFADLP Cc1cccc([C@@H](C)[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000720770050 712864640 /nfs/dbraw/zinc/86/46/40/712864640.db2.gz RKZBZPAXMMZKCA-OCCSQVGLSA-N 2 2 232.371 2.725 20 0 BFADLP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720766685 712864896 /nfs/dbraw/zinc/86/48/96/712864896.db2.gz GVPNXGJMAJYSJE-UONOGXRCSA-N 2 2 232.371 2.807 20 0 BFADLP CC[C@@H](c1ccccc1)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720766685 712864898 /nfs/dbraw/zinc/86/48/98/712864898.db2.gz GVPNXGJMAJYSJE-UONOGXRCSA-N 2 2 232.371 2.807 20 0 BFADLP CC[C@@H](c1ccccc1)[N@@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720766682 712865003 /nfs/dbraw/zinc/86/50/03/712865003.db2.gz GVPNXGJMAJYSJE-KBPBESRZSA-N 2 2 232.371 2.807 20 0 BFADLP CC[C@@H](c1ccccc1)[N@H+]1C[C@H]([NH3+])C(C)(C)C1 ZINC000720766682 712865005 /nfs/dbraw/zinc/86/50/05/712865005.db2.gz GVPNXGJMAJYSJE-KBPBESRZSA-N 2 2 232.371 2.807 20 0 BFADLP CC1(C)C[N@H+](Cc2ccccc2C2CC2)C[C@@H]1[NH3+] ZINC000720823226 712867729 /nfs/dbraw/zinc/86/77/29/712867729.db2.gz BAVYYSJEUYTIJR-HNNXBMFYSA-N 2 2 244.382 2.733 20 0 BFADLP CC1(C)C[N@@H+](Cc2ccccc2C2CC2)C[C@@H]1[NH3+] ZINC000720823226 712867731 /nfs/dbraw/zinc/86/77/31/712867731.db2.gz BAVYYSJEUYTIJR-HNNXBMFYSA-N 2 2 244.382 2.733 20 0 BFADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC000403671250 958788438 /nfs/dbraw/zinc/78/84/38/958788438.db2.gz UZTZBSZGLKNLKJ-VIFPVBQESA-N 2 2 237.174 2.509 20 0 BFADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC000403671250 958788455 /nfs/dbraw/zinc/78/84/55/958788455.db2.gz UZTZBSZGLKNLKJ-VIFPVBQESA-N 2 2 237.174 2.509 20 0 BFADLP Cc1cccc(C[NH2+]CC[C@@H](C)[NH+](C)C)c1F ZINC000697933877 964746743 /nfs/dbraw/zinc/74/67/43/964746743.db2.gz ANTZQNIDHBXXKB-GFCCVEGCSA-N 2 2 238.350 2.564 20 0 BFADLP CC/C=C\CCC[N@@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336733 968246434 /nfs/dbraw/zinc/24/64/34/968246434.db2.gz OFBOHXUHMHUAGW-VQTKUKTRSA-N 2 2 242.382 2.886 20 0 BFADLP CC/C=C\CCC[N@H+]1CCCC[C@@](F)(C[NH3+])C1 ZINC001206336733 968246440 /nfs/dbraw/zinc/24/64/40/968246440.db2.gz OFBOHXUHMHUAGW-VQTKUKTRSA-N 2 2 242.382 2.886 20 0 BFADLP CC[N@H+](CCC[NH+](C)C)[C@H](C)CC(F)(F)F ZINC001255659654 970439419 /nfs/dbraw/zinc/43/94/19/970439419.db2.gz BBZLKSBOCJVGQA-SNVBAGLBSA-N 2 2 240.313 2.601 20 0 BFADLP CC[N@@H+](CCC[NH+](C)C)[C@H](C)CC(F)(F)F ZINC001255659654 970439430 /nfs/dbraw/zinc/43/94/30/970439430.db2.gz BBZLKSBOCJVGQA-SNVBAGLBSA-N 2 2 240.313 2.601 20 0 BFADLP CCC(CC)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001256208344 970713177 /nfs/dbraw/zinc/71/31/77/970713177.db2.gz GFZMWODTMIBVAU-UHFFFAOYSA-N 2 2 212.381 2.591 20 0 BFADLP CCC(CC)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001256208344 970713181 /nfs/dbraw/zinc/71/31/81/970713181.db2.gz GFZMWODTMIBVAU-UHFFFAOYSA-N 2 2 212.381 2.591 20 0 BFADLP Nc1[nH+]cccc1-c1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001243476526 970772800 /nfs/dbraw/zinc/77/28/00/970772800.db2.gz SYSUDTDFGNQUCD-CQSZACIVSA-N 2 2 239.322 2.755 20 0 BFADLP C[C@@H]1C[C@@H](F)C[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569286 970863863 /nfs/dbraw/zinc/86/38/63/970863863.db2.gz ZDNMMXJZQSIAMC-VXGBXAGGSA-N 2 2 242.382 2.682 20 0 BFADLP C[C@@H]1C[C@@H](F)C[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256569286 970863865 /nfs/dbraw/zinc/86/38/65/970863865.db2.gz ZDNMMXJZQSIAMC-VXGBXAGGSA-N 2 2 242.382 2.682 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC[NH+](C(C)(C)C)CC2)C[C@@H]1F ZINC001256569544 970866245 /nfs/dbraw/zinc/86/62/45/970866245.db2.gz IZFUSZDCBQUNQJ-YPMHNXCESA-N 2 2 242.382 2.539 20 0 BFADLP C[C@@H]1C[N@H+](C2CC[NH+](C(C)(C)C)CC2)C[C@@H]1F ZINC001256569544 970866251 /nfs/dbraw/zinc/86/62/51/970866251.db2.gz IZFUSZDCBQUNQJ-YPMHNXCESA-N 2 2 242.382 2.539 20 0 BFADLP CCC1CCC([N@@H+]2CCn3c(c[nH+]c3C)C2)CC1 ZINC001256871283 971005297 /nfs/dbraw/zinc/00/52/97/971005297.db2.gz LVNHVHZUDKMWEC-UHFFFAOYSA-N 2 2 247.386 2.976 20 0 BFADLP CCC1CCC([N@H+]2CCn3c(c[nH+]c3C)C2)CC1 ZINC001256871283 971005305 /nfs/dbraw/zinc/00/53/05/971005305.db2.gz LVNHVHZUDKMWEC-UHFFFAOYSA-N 2 2 247.386 2.976 20 0 BFADLP CCC(CC)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 ZINC001257301105 971190313 /nfs/dbraw/zinc/19/03/13/971190313.db2.gz PRWPRAWPTPRICZ-LLVKDONJSA-N 2 2 221.348 2.711 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405831618 971311422 /nfs/dbraw/zinc/31/14/22/971311422.db2.gz NUGKDKCYAIUZSK-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405831618 971311431 /nfs/dbraw/zinc/31/14/31/971311431.db2.gz NUGKDKCYAIUZSK-HNNXBMFYSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405831619 971313223 /nfs/dbraw/zinc/31/32/23/971313223.db2.gz NUGKDKCYAIUZSK-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405831619 971313226 /nfs/dbraw/zinc/31/32/26/971313226.db2.gz NUGKDKCYAIUZSK-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP CCCC[C@@H](CC)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257420542 971321894 /nfs/dbraw/zinc/32/18/94/971321894.db2.gz MVFHIAIMKMOMGN-CYBMUJFWSA-N 2 2 235.375 2.976 20 0 BFADLP CCCC[C@@H](CC)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257420542 971321898 /nfs/dbraw/zinc/32/18/98/971321898.db2.gz MVFHIAIMKMOMGN-CYBMUJFWSA-N 2 2 235.375 2.976 20 0 BFADLP CCCC[C@H](CC)[N@@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001257426072 971328115 /nfs/dbraw/zinc/32/81/15/971328115.db2.gz GDGSYQZXBZQUOY-ILXRZTDVSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[N@H+]1C[C@H]2CCC[NH+](C)[C@H]2C1 ZINC001257426072 971328121 /nfs/dbraw/zinc/32/81/21/971328121.db2.gz GDGSYQZXBZQUOY-ILXRZTDVSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[NH+]1C[C@H]2CCC[N@H+](C)[C@H]2C1 ZINC001257426072 971328130 /nfs/dbraw/zinc/32/81/30/971328130.db2.gz GDGSYQZXBZQUOY-ILXRZTDVSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@H](CC)[NH+]1C[C@H]2CCC[N@@H+](C)[C@H]2C1 ZINC001257426072 971328140 /nfs/dbraw/zinc/32/81/40/971328140.db2.gz GDGSYQZXBZQUOY-ILXRZTDVSA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@H](C)N(c1ccc(C)c[nH+]1)C1CC[NH2+]CC1 ZINC001257447344 971362844 /nfs/dbraw/zinc/36/28/44/971362844.db2.gz DFTRBAUENSZNQP-ZDUSSCGKSA-N 2 2 247.386 2.747 20 0 BFADLP CCCCC[C@@H](C)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257511850 971435075 /nfs/dbraw/zinc/43/50/75/971435075.db2.gz JVJOACRBXOTGEK-GFCCVEGCSA-N 2 2 235.375 2.976 20 0 BFADLP CCCCC[C@@H](C)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257511850 971435079 /nfs/dbraw/zinc/43/50/79/971435079.db2.gz JVJOACRBXOTGEK-GFCCVEGCSA-N 2 2 235.375 2.976 20 0 BFADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)C[C@@H]21 ZINC001170731446 971670331 /nfs/dbraw/zinc/67/03/31/971670331.db2.gz QRMSOFOMHRYUMN-VIRABCJISA-N 2 2 248.414 2.637 20 0 BFADLP CC1(C)[C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)C[C@@H]21 ZINC001170731446 971670333 /nfs/dbraw/zinc/67/03/33/971670333.db2.gz QRMSOFOMHRYUMN-VIRABCJISA-N 2 2 248.414 2.637 20 0 BFADLP Cc1ccc[nH+]c1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159104758 971685867 /nfs/dbraw/zinc/68/58/67/971685867.db2.gz JAKHQPCXMCFENH-UHFFFAOYSA-N 2 2 239.322 2.779 20 0 BFADLP Cc1cccc2c1cc[nH+]c2NCC1C[NH+](C)C1 ZINC001159218927 971746818 /nfs/dbraw/zinc/74/68/18/971746818.db2.gz TYNTXUQLQPABLO-UHFFFAOYSA-N 2 2 241.338 2.517 20 0 BFADLP [NH3+][C@H](C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000311071759 971987724 /nfs/dbraw/zinc/98/77/24/971987724.db2.gz MGNKWZZCQCKNEP-OWCLPIDISA-N 2 2 244.382 2.808 20 0 BFADLP [NH3+][C@H](C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000311071759 971987736 /nfs/dbraw/zinc/98/77/36/971987736.db2.gz MGNKWZZCQCKNEP-OWCLPIDISA-N 2 2 244.382 2.808 20 0 BFADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246085662 972141126 /nfs/dbraw/zinc/14/11/26/972141126.db2.gz IRJDWFLTCZUTGJ-FQUUOJAGSA-N 2 2 244.398 2.881 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2c2ccccc2)C1 ZINC001246144177 972192969 /nfs/dbraw/zinc/19/29/69/972192969.db2.gz SHLDFKSIBLCCNA-HNKHHVNMSA-N 2 2 244.382 2.868 20 0 BFADLP CCCCc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC001246179202 972208352 /nfs/dbraw/zinc/20/83/52/972208352.db2.gz OVFASHIXMGNNTI-MRXNPFEDSA-N 2 2 246.398 2.871 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+][C@H](C)C2)c(C)c1 ZINC001246290162 972258025 /nfs/dbraw/zinc/25/80/25/972258025.db2.gz FZFOVARJAKIXOY-HZSPNIEDSA-N 2 2 232.371 2.704 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C)c(C)c1 ZINC001246307726 972269629 /nfs/dbraw/zinc/26/96/29/972269629.db2.gz NXQBTWLQLFSPKA-LSDHHAIUSA-N 2 2 232.371 2.706 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C)c(C)c1 ZINC001246307716 972271707 /nfs/dbraw/zinc/27/17/07/972271707.db2.gz NXQBTWLQLFSPKA-HUUCEWRRSA-N 2 2 232.371 2.706 20 0 BFADLP CC/C=C\CCC[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222190473 972398985 /nfs/dbraw/zinc/39/89/85/972398985.db2.gz CACJKLFBUMIOLW-VQTKUKTRSA-N 2 2 222.376 2.561 20 0 BFADLP CC/C=C\CCC[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222190473 972398989 /nfs/dbraw/zinc/39/89/89/972398989.db2.gz CACJKLFBUMIOLW-VQTKUKTRSA-N 2 2 222.376 2.561 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@@]23CCC[NH2+]C3)c1C ZINC001222192264 972402635 /nfs/dbraw/zinc/40/26/35/972402635.db2.gz ULLIGHBAUZGAER-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@@]23CCC[NH2+]C3)c1C ZINC001222192264 972402642 /nfs/dbraw/zinc/40/26/42/972402642.db2.gz ULLIGHBAUZGAER-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000692622129 960340341 /nfs/dbraw/zinc/34/03/41/960340341.db2.gz KDAQFJBMJLKSCW-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000692622129 960340348 /nfs/dbraw/zinc/34/03/48/960340348.db2.gz KDAQFJBMJLKSCW-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@]1(CF)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801884 960589930 /nfs/dbraw/zinc/58/99/30/960589930.db2.gz JRCFTIPJELOGQH-AWEZNQCLSA-N 2 2 247.317 2.744 20 0 BFADLP C[C@@]1(CF)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801884 960589941 /nfs/dbraw/zinc/58/99/41/960589941.db2.gz JRCFTIPJELOGQH-AWEZNQCLSA-N 2 2 247.317 2.744 20 0 BFADLP c1[nH]c2cc[nH+]cc2c1C[N@@H+]1CCC2(CC2)C1 ZINC001140802215 960594055 /nfs/dbraw/zinc/59/40/55/960594055.db2.gz QWLOCEAZGYDERO-UHFFFAOYSA-N 2 2 227.311 2.549 20 0 BFADLP c1[nH]c2cc[nH+]cc2c1C[N@H+]1CCC2(CC2)C1 ZINC001140802215 960594067 /nfs/dbraw/zinc/59/40/67/960594067.db2.gz QWLOCEAZGYDERO-UHFFFAOYSA-N 2 2 227.311 2.549 20 0 BFADLP Cc1nc(N[C@@H]2CCC[C@H]([NH3+])C2)cc(C(C)C)[nH+]1 ZINC000709848774 961720635 /nfs/dbraw/zinc/72/06/35/961720635.db2.gz IZYSPQSRPCNBNA-NWDGAFQWSA-N 2 2 248.374 2.590 20 0 BFADLP c1cn2cc(C[N@@H+]3CCCCC34CC4)ccc2[nH+]1 ZINC001143026656 961869747 /nfs/dbraw/zinc/86/97/47/961869747.db2.gz CVNVRRBAXCMMJT-UHFFFAOYSA-N 2 2 241.338 2.853 20 0 BFADLP c1cn2cc(C[N@H+]3CCCCC34CC4)ccc2[nH+]1 ZINC001143026656 961869748 /nfs/dbraw/zinc/86/97/48/961869748.db2.gz CVNVRRBAXCMMJT-UHFFFAOYSA-N 2 2 241.338 2.853 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710847103 962494668 /nfs/dbraw/zinc/49/46/68/962494668.db2.gz FZWUGPVTTZWFAI-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710847103 962494681 /nfs/dbraw/zinc/49/46/81/962494681.db2.gz FZWUGPVTTZWFAI-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP c1cc(C2CCC2)ccc1C[N@@H+]1CCC[NH2+]CC1 ZINC001204684701 963611239 /nfs/dbraw/zinc/61/12/39/963611239.db2.gz LDJSDVQLTNAGRX-UHFFFAOYSA-N 2 2 244.382 2.749 20 0 BFADLP c1cc(C2CCC2)ccc1C[N@H+]1CCC[NH2+]CC1 ZINC001204684701 963611241 /nfs/dbraw/zinc/61/12/41/963611241.db2.gz LDJSDVQLTNAGRX-UHFFFAOYSA-N 2 2 244.382 2.749 20 0 BFADLP Cc1cc(CC(C)C)[nH+]cc1NC1=CCC[NH2+]C1 ZINC001159372814 964067966 /nfs/dbraw/zinc/06/79/66/964067966.db2.gz XSOBSDHXDPGBJY-UHFFFAOYSA-N 2 2 245.370 2.878 20 0 BFADLP CSc1cc(NC=CC2CC[NH2+]CC2)cc[nH+]1 ZINC001159372502 964069575 /nfs/dbraw/zinc/06/95/75/964069575.db2.gz ZEYZBIVBNHFQRB-XBXARRHUSA-N 2 2 249.383 2.729 20 0 BFADLP Cc1cc[nH+]c(C(C)C)c1NC1=CC[NH2+]CC1 ZINC001159416600 964080601 /nfs/dbraw/zinc/08/06/01/964080601.db2.gz BHHOUWBJCCTAQU-UHFFFAOYSA-N 2 2 231.343 2.803 20 0 BFADLP C[C@@H](CC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1)CC(C)(C)C ZINC001235165277 966018141 /nfs/dbraw/zinc/01/81/41/966018141.db2.gz IKLMLLGHCXCGIP-KCQAQPDRSA-N 2 2 238.419 2.872 20 0 BFADLP C[C@@H](CC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1)CC(C)(C)C ZINC001235165277 966018157 /nfs/dbraw/zinc/01/81/57/966018157.db2.gz IKLMLLGHCXCGIP-KCQAQPDRSA-N 2 2 238.419 2.872 20 0 BFADLP CC(C)[N@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001203284591 966598235 /nfs/dbraw/zinc/59/82/35/966598235.db2.gz JVSVPTKNUUSUEL-UHFFFAOYSA-N 2 2 236.359 2.584 20 0 BFADLP CC(C)[N@@H+](Cc1ccco1)C1CC[NH+](C)CC1 ZINC001203284591 966598243 /nfs/dbraw/zinc/59/82/43/966598243.db2.gz JVSVPTKNUUSUEL-UHFFFAOYSA-N 2 2 236.359 2.584 20 0 BFADLP Cc1c[nH+]c(C)c(Nc2c[nH+]ccc2N(C)C)c1 ZINC001203654601 966723125 /nfs/dbraw/zinc/72/31/25/966723125.db2.gz MCHSDZNCYKAVPH-UHFFFAOYSA-N 2 2 242.326 2.903 20 0 BFADLP Cc1cccc(C[NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)c1 ZINC001203893156 966813767 /nfs/dbraw/zinc/81/37/67/966813767.db2.gz YJOIRCBMASDQHU-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)c1 ZINC001203893156 966813769 /nfs/dbraw/zinc/81/37/69/966813769.db2.gz YJOIRCBMASDQHU-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001203893156 966813775 /nfs/dbraw/zinc/81/37/75/966813775.db2.gz YJOIRCBMASDQHU-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cccc(C[N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)c1 ZINC001203893156 966813780 /nfs/dbraw/zinc/81/37/80/966813780.db2.gz YJOIRCBMASDQHU-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1C ZINC001168593914 966961854 /nfs/dbraw/zinc/96/18/54/966961854.db2.gz XAUPTZPTXVMSFP-KBPBESRZSA-N 2 2 247.386 2.983 20 0 BFADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001204801567 967176307 /nfs/dbraw/zinc/17/63/07/967176307.db2.gz QIBULNWIGBPRKW-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001204801567 967176319 /nfs/dbraw/zinc/17/63/19/967176319.db2.gz QIBULNWIGBPRKW-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP C[C@H]1C[N@H+](C[C@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164933 967404727 /nfs/dbraw/zinc/40/47/27/967404727.db2.gz WYQYRDCZOWQNFZ-DZGCQCFKSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1C[N@@H+](C[C@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164933 967404736 /nfs/dbraw/zinc/40/47/36/967404736.db2.gz WYQYRDCZOWQNFZ-DZGCQCFKSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1C[N@H+](C[C@@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164934 967404808 /nfs/dbraw/zinc/40/48/08/967404808.db2.gz WYQYRDCZOWQNFZ-HIFRSBDPSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164934 967404814 /nfs/dbraw/zinc/40/48/14/967404814.db2.gz WYQYRDCZOWQNFZ-HIFRSBDPSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC001205164635 967405351 /nfs/dbraw/zinc/40/53/51/967405351.db2.gz JXRUDBHFEGASCE-UKRRQHHQSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC001205164635 967405361 /nfs/dbraw/zinc/40/53/61/967405361.db2.gz JXRUDBHFEGASCE-UKRRQHHQSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1C[N@H+](C[C@@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164936 967407553 /nfs/dbraw/zinc/40/75/53/967407553.db2.gz WYQYRDCZOWQNFZ-ZFWWWQNUSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1C[N@@H+](C[C@@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164936 967407558 /nfs/dbraw/zinc/40/75/58/967407558.db2.gz WYQYRDCZOWQNFZ-ZFWWWQNUSA-N 2 2 244.382 2.748 20 0 BFADLP CC1(C)CCC(C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000163228204 967610610 /nfs/dbraw/zinc/61/06/10/967610610.db2.gz KQGRSYZQZVXQCQ-UHFFFAOYSA-N 2 2 235.375 2.689 20 0 BFADLP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1CCCC[N@@H+]1C1CC1 ZINC001205667897 967755276 /nfs/dbraw/zinc/75/52/76/967755276.db2.gz RCOAIYIGXISTPK-DRPJVOAASA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)[C@H]1CCCC[N@H+]1C1CC1 ZINC001205667897 967755290 /nfs/dbraw/zinc/75/52/90/967755290.db2.gz RCOAIYIGXISTPK-DRPJVOAASA-N 2 2 248.414 2.782 20 0 BFADLP CN(CCC[NH+](C)C)c1cc2ccccc2c[nH+]1 ZINC001163595644 968080059 /nfs/dbraw/zinc/08/00/59/968080059.db2.gz QVTLCDJXUQZKMW-UHFFFAOYSA-N 2 2 243.354 2.623 20 0 BFADLP CC/C=C\CCC[N@@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336732 968244646 /nfs/dbraw/zinc/24/46/46/968244646.db2.gz OFBOHXUHMHUAGW-NQHOJNORSA-N 2 2 242.382 2.886 20 0 BFADLP CC/C=C\CCC[N@H+]1CCCC[C@](F)(C[NH3+])C1 ZINC001206336732 968244655 /nfs/dbraw/zinc/24/46/55/968244655.db2.gz OFBOHXUHMHUAGW-NQHOJNORSA-N 2 2 242.382 2.886 20 0 BFADLP C/C=C(\NC=[NH2+])[NH2+]CCC1=CCCCC1 ZINC001168769322 968639681 /nfs/dbraw/zinc/63/96/81/968639681.db2.gz MXQDNGPODVQTRM-OIXVIMQBSA-N 2 2 207.321 2.524 20 0 BFADLP CC(C)CC[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336652884 968812777 /nfs/dbraw/zinc/81/27/77/968812777.db2.gz FTVXPNWZSIQBAA-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)CC[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000336652884 968812773 /nfs/dbraw/zinc/81/27/73/968812773.db2.gz FTVXPNWZSIQBAA-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)CC[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000336652883 968813010 /nfs/dbraw/zinc/81/30/10/968813010.db2.gz FTVXPNWZSIQBAA-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)CC[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000336652883 968813011 /nfs/dbraw/zinc/81/30/11/968813011.db2.gz FTVXPNWZSIQBAA-CYBMUJFWSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716276255 968822041 /nfs/dbraw/zinc/82/20/41/968822041.db2.gz BHACPJPNRDISPK-AWEZNQCLSA-N 2 2 246.398 2.897 20 0 BFADLP C=Cc1ccc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)[nH+]c1 ZINC001155028452 968854956 /nfs/dbraw/zinc/85/49/56/968854956.db2.gz AALZIGSHPMBAIQ-JSGCOSHPSA-N 2 2 245.370 2.772 20 0 BFADLP CC[N@H+](CC[C@@H](C)SC)C1CC[NH+](C)CC1 ZINC001208144415 969066512 /nfs/dbraw/zinc/06/65/12/969066512.db2.gz XZLDSNHFDHSMCU-GFCCVEGCSA-N 2 2 244.448 2.544 20 0 BFADLP CC[N@@H+](CC[C@@H](C)SC)C1CC[NH+](C)CC1 ZINC001208144415 969066522 /nfs/dbraw/zinc/06/65/22/969066522.db2.gz XZLDSNHFDHSMCU-GFCCVEGCSA-N 2 2 244.448 2.544 20 0 BFADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CCC1CCCCC1)C2 ZINC001276646746 969524558 /nfs/dbraw/zinc/52/45/58/969524558.db2.gz JCTJBUZBPYHLFK-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CCC1CCCCC1)C2 ZINC001276646746 969524564 /nfs/dbraw/zinc/52/45/64/969524564.db2.gz JCTJBUZBPYHLFK-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCCC1)C2 ZINC001276646746 969524571 /nfs/dbraw/zinc/52/45/71/969524571.db2.gz JCTJBUZBPYHLFK-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CCC1CCCCC1)C2 ZINC001276646746 969524577 /nfs/dbraw/zinc/52/45/77/969524577.db2.gz JCTJBUZBPYHLFK-CABCVRRESA-N 2 2 236.403 2.593 20 0 BFADLP Cc1ccc(C)c(Nc2c[nH+]c(N)cc2C)[nH+]1 ZINC001209965145 969725276 /nfs/dbraw/zinc/72/52/76/969725276.db2.gz NIKRIEDLVJFNPS-UHFFFAOYSA-N 2 2 228.299 2.728 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833637 969796854 /nfs/dbraw/zinc/79/68/54/969796854.db2.gz QLQQITSCYBKLAM-VHDGCEQUSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CCCC1 ZINC001254840035 969802343 /nfs/dbraw/zinc/80/23/43/969802343.db2.gz AHROMVDCGUNDDQ-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP CCCC[C@H](C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001255333761 970114231 /nfs/dbraw/zinc/11/42/31/970114231.db2.gz XJHILIJPSGSHPZ-MELADBBJSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001255333761 970114235 /nfs/dbraw/zinc/11/42/35/970114235.db2.gz XJHILIJPSGSHPZ-MELADBBJSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001255333761 970114241 /nfs/dbraw/zinc/11/42/41/970114241.db2.gz XJHILIJPSGSHPZ-MELADBBJSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001255333761 970114248 /nfs/dbraw/zinc/11/42/48/970114248.db2.gz XJHILIJPSGSHPZ-MELADBBJSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CCC[C@H](C)n1cc[nH+]c1CC[NH3+] ZINC001170061342 970120485 /nfs/dbraw/zinc/12/04/85/970120485.db2.gz MAQUBUUJRWUBGH-LBPRGKRZSA-N 2 2 223.364 2.772 20 0 BFADLP CCc1[nH+]ccc(C)c1Nc1cc[nH+]cc1OC ZINC001211262176 970208121 /nfs/dbraw/zinc/20/81/21/970208121.db2.gz AMBAGTXMEGJKQI-UHFFFAOYSA-N 2 2 243.310 2.522 20 0 BFADLP Cn1c[nH+]cc1-c1ccc([C@@H]2CCC[NH2+]2)c(F)c1 ZINC001243069763 970260706 /nfs/dbraw/zinc/26/07/06/970260706.db2.gz AEZUFFYXDABOMP-ZDUSSCGKSA-N 2 2 245.301 2.651 20 0 BFADLP Cn1cc[nH+]c1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213085515 970272824 /nfs/dbraw/zinc/27/28/24/970272824.db2.gz JMVOKULPUAAMNP-UHFFFAOYSA-N 2 2 239.282 2.554 20 0 BFADLP Cc1ccc2cc(NCC3C[NH+](C)C3)[nH+]cc2c1 ZINC001170252055 970662647 /nfs/dbraw/zinc/66/26/47/970662647.db2.gz GVMZCWGHECHSOR-UHFFFAOYSA-N 2 2 241.338 2.517 20 0 BFADLP C[N@H+]([C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC001256214074 970719350 /nfs/dbraw/zinc/71/93/50/970719350.db2.gz FDIVMZVPPZBETD-INIZCTEOSA-N 2 2 244.382 2.700 20 0 BFADLP C[N@@H+]([C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC001256214074 970719353 /nfs/dbraw/zinc/71/93/53/970719353.db2.gz FDIVMZVPPZBETD-INIZCTEOSA-N 2 2 244.382 2.700 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246549987 972703712 /nfs/dbraw/zinc/70/37/12/972703712.db2.gz UNJKZNVIMUNEMM-UKRRQHHQSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1CCCC[NH2+]C1 ZINC001246549987 972703720 /nfs/dbraw/zinc/70/37/20/972703720.db2.gz UNJKZNVIMUNEMM-UKRRQHHQSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1cc(COC2C[NH+](C(C)(C)C)C2)cc(C)[nH+]1 ZINC001223419374 973049899 /nfs/dbraw/zinc/04/98/99/973049899.db2.gz CXLCLWUUXPUMLO-UHFFFAOYSA-N 2 2 248.370 2.698 20 0 BFADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C1CCCCCCC1)C2 ZINC001246660153 973073858 /nfs/dbraw/zinc/07/38/58/973073858.db2.gz SDAMIKKHFKHJGS-GXTWGEPZSA-N 2 2 222.376 2.522 20 0 BFADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C1CCCCCCC1)C2 ZINC001246660153 973073869 /nfs/dbraw/zinc/07/38/69/973073869.db2.gz SDAMIKKHFKHJGS-GXTWGEPZSA-N 2 2 222.376 2.522 20 0 BFADLP CCCCC(CCCC)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246916582 973466794 /nfs/dbraw/zinc/46/67/94/973466794.db2.gz IOWWRMUNABEQQN-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC(CCCC)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246916582 973466798 /nfs/dbraw/zinc/46/67/98/973466798.db2.gz IOWWRMUNABEQQN-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc[nH+]cc1)C2 ZINC001225290669 974362284 /nfs/dbraw/zinc/36/22/84/974362284.db2.gz FIGOECNWAYBHKH-NHAGDIPZSA-N 2 2 246.354 2.864 20 0 BFADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc[nH+]cc1)C2 ZINC001225290669 974362294 /nfs/dbraw/zinc/36/22/94/974362294.db2.gz FIGOECNWAYBHKH-NHAGDIPZSA-N 2 2 246.354 2.864 20 0 BFADLP CC[C@@H](C)OCC[C@H](C)[NH2+]CC[NH+](CC)CC ZINC001172316423 974523641 /nfs/dbraw/zinc/52/36/41/974523641.db2.gz NYGVTSZVJZAWAT-UONOGXRCSA-N 2 2 244.423 2.512 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C[C@@H]1C ZINC001172371162 974651238 /nfs/dbraw/zinc/65/12/38/974651238.db2.gz XIMMJSLPFLFJRD-RDBSUJKOSA-N 2 2 248.370 2.875 20 0 BFADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001331553966 974761803 /nfs/dbraw/zinc/76/18/03/974761803.db2.gz QZZGMRHWBVCACP-QWHCGFSZSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001331553966 974761811 /nfs/dbraw/zinc/76/18/11/974761811.db2.gz QZZGMRHWBVCACP-QWHCGFSZSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001331553966 974761816 /nfs/dbraw/zinc/76/18/16/974761816.db2.gz QZZGMRHWBVCACP-QWHCGFSZSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001331553966 974761821 /nfs/dbraw/zinc/76/18/21/974761821.db2.gz QZZGMRHWBVCACP-QWHCGFSZSA-N 2 2 236.359 2.503 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001173273321 975152986 /nfs/dbraw/zinc/15/29/86/975152986.db2.gz NHYKVZZROCFQNK-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001173273321 975152992 /nfs/dbraw/zinc/15/29/92/975152992.db2.gz NHYKVZZROCFQNK-KKUMJFAQSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001173276792 975227601 /nfs/dbraw/zinc/22/76/01/975227601.db2.gz RYGBDCATVDOPHX-STQMWFEESA-N 2 2 234.343 2.629 20 0 BFADLP CC[C@H]1CC[C@@H](n2c(C)[nH+]c3c2CC[NH2+]CC3)C1 ZINC001173280029 975235854 /nfs/dbraw/zinc/23/58/54/975235854.db2.gz KKAJPZTVSPCRSE-QWHCGFSZSA-N 2 2 247.386 2.631 20 0 BFADLP Cc1cn2cccc(Nc3cc[nH+]cc3C)c2[nH+]1 ZINC001174536670 976815953 /nfs/dbraw/zinc/81/59/53/976815953.db2.gz INYFEEJRUGDZAZ-UHFFFAOYSA-N 2 2 238.294 2.512 20 0 BFADLP Cc1cn2c(cccc2Nc2cc[nH+]cc2C)[nH+]1 ZINC001174536279 976817327 /nfs/dbraw/zinc/81/73/27/976817327.db2.gz RLGSDHBKEQAVNZ-UHFFFAOYSA-N 2 2 238.294 2.512 20 0 BFADLP Cc1ccc(Nc2cc[nH+]c(C)c2)c(C)[nH+]1 ZINC001174652539 976937396 /nfs/dbraw/zinc/93/73/96/976937396.db2.gz IDULXCRTPLOTJL-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP Cc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)cc1 ZINC001204174974 978143368 /nfs/dbraw/zinc/14/33/68/978143368.db2.gz JKZZJIRVPOLRLP-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)cc1 ZINC001204174974 978143372 /nfs/dbraw/zinc/14/33/72/978143372.db2.gz JKZZJIRVPOLRLP-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001204174974 978143374 /nfs/dbraw/zinc/14/33/74/978143374.db2.gz JKZZJIRVPOLRLP-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)cc1 ZINC001204174974 978143378 /nfs/dbraw/zinc/14/33/78/978143378.db2.gz JKZZJIRVPOLRLP-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP CC[NH+](CC)CC[C@H](C)Nc1cccc[nH+]1 ZINC001338303180 978658451 /nfs/dbraw/zinc/65/84/51/978658451.db2.gz WRELAQRONIAFMR-LBPRGKRZSA-N 2 2 221.348 2.614 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[NH+]2CCCC2)C1 ZINC000070762032 978893257 /nfs/dbraw/zinc/89/32/57/978893257.db2.gz BAQNEVCFIFGOIB-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCCc1ccc(C[N@@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC001235009069 978951794 /nfs/dbraw/zinc/95/17/94/978951794.db2.gz WZZUXNKYFOONEZ-UHFFFAOYSA-N 2 2 244.382 2.562 20 0 BFADLP CCCc1ccc(C[N@H+]2CC3CC2(C[NH3+])C3)cc1 ZINC001235009069 978951800 /nfs/dbraw/zinc/95/18/00/978951800.db2.gz WZZUXNKYFOONEZ-UHFFFAOYSA-N 2 2 244.382 2.562 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]32)c(C)c1 ZINC001235072261 978968150 /nfs/dbraw/zinc/96/81/50/978968150.db2.gz GOKSGMYLRXSOAL-HZPDHXFCSA-N 2 2 244.382 2.548 20 0 BFADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]32)c(C)c1 ZINC001235072261 978968154 /nfs/dbraw/zinc/96/81/54/978968154.db2.gz GOKSGMYLRXSOAL-HZPDHXFCSA-N 2 2 244.382 2.548 20 0 BFADLP C1CCC([NH+]2CC[C@H]3C[N@@H+](C4CCCC4)C[C@H]32)C1 ZINC001277930510 978997291 /nfs/dbraw/zinc/99/72/91/978997291.db2.gz MPTOUOQWZLYUKT-XJKSGUPXSA-N 2 2 248.414 2.878 20 0 BFADLP C1CCC([NH+]2CC[C@H]3C[N@H+](C4CCCC4)C[C@H]32)C1 ZINC001277930510 978997301 /nfs/dbraw/zinc/99/73/01/978997301.db2.gz MPTOUOQWZLYUKT-XJKSGUPXSA-N 2 2 248.414 2.878 20 0 BFADLP C1CCC([NH+]2C[C@@H]3CC[N@H+](C4CCCC4)[C@@H]3C2)C1 ZINC001277930510 978997314 /nfs/dbraw/zinc/99/73/14/978997314.db2.gz MPTOUOQWZLYUKT-XJKSGUPXSA-N 2 2 248.414 2.878 20 0 BFADLP C1CCC([NH+]2C[C@@H]3CC[N@@H+](C4CCCC4)[C@@H]3C2)C1 ZINC001277930510 978997323 /nfs/dbraw/zinc/99/73/23/978997323.db2.gz MPTOUOQWZLYUKT-XJKSGUPXSA-N 2 2 248.414 2.878 20 0 BFADLP CC(C)=CCC[C@H](C)C[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212959 979001206 /nfs/dbraw/zinc/00/12/06/979001206.db2.gz GSKROVIPQCRQLR-RRFJBIMHSA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)=CCC[C@H](C)C[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235212959 979001214 /nfs/dbraw/zinc/00/12/14/979001214.db2.gz GSKROVIPQCRQLR-RRFJBIMHSA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC001235255288 979011105 /nfs/dbraw/zinc/01/11/05/979011105.db2.gz DEOVIZPKQUOYGQ-JKSUJKDBSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC001235255288 979011113 /nfs/dbraw/zinc/01/11/13/979011113.db2.gz DEOVIZPKQUOYGQ-JKSUJKDBSA-N 2 2 244.382 2.604 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235675575 979111797 /nfs/dbraw/zinc/11/17/97/979111797.db2.gz ZXCNFMUFYNKWMN-MRXNPFEDSA-N 2 2 246.398 2.551 20 0 BFADLP CC[NH2+]CC[N@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001235675575 979111798 /nfs/dbraw/zinc/11/17/98/979111798.db2.gz ZXCNFMUFYNKWMN-MRXNPFEDSA-N 2 2 246.398 2.551 20 0 BFADLP CC(C)[N@H+](CC[NH3+])Cc1ccccc1C1CC1 ZINC001235946967 979216895 /nfs/dbraw/zinc/21/68/95/979216895.db2.gz FHCISXUWELJETC-UHFFFAOYSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)[N@@H+](CC[NH3+])Cc1ccccc1C1CC1 ZINC001235946967 979216901 /nfs/dbraw/zinc/21/69/01/979216901.db2.gz FHCISXUWELJETC-UHFFFAOYSA-N 2 2 232.371 2.733 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235985104 979265114 /nfs/dbraw/zinc/26/51/14/979265114.db2.gz AZIATVSQIGTLHB-HOTGVXAUSA-N 2 2 244.382 2.562 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235985104 979265134 /nfs/dbraw/zinc/26/51/34/979265134.db2.gz AZIATVSQIGTLHB-HOTGVXAUSA-N 2 2 244.382 2.562 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001236049194 979340704 /nfs/dbraw/zinc/34/07/04/979340704.db2.gz PGYGMTBKBREWGN-CZUORRHYSA-N 2 2 246.398 2.808 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)cc1 ZINC001236049194 979340712 /nfs/dbraw/zinc/34/07/12/979340712.db2.gz PGYGMTBKBREWGN-CZUORRHYSA-N 2 2 246.398 2.808 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236049193 979341599 /nfs/dbraw/zinc/34/15/99/979341599.db2.gz PGYGMTBKBREWGN-CJNGLKHVSA-N 2 2 246.398 2.808 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)cc1 ZINC001236049193 979341617 /nfs/dbraw/zinc/34/16/17/979341617.db2.gz PGYGMTBKBREWGN-CJNGLKHVSA-N 2 2 246.398 2.808 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC001236059353 979346938 /nfs/dbraw/zinc/34/69/38/979346938.db2.gz GAQIRTYIMGIQOQ-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC001236059353 979346948 /nfs/dbraw/zinc/34/69/48/979346948.db2.gz GAQIRTYIMGIQOQ-GDBMZVCRSA-N 2 2 244.382 2.748 20 0 BFADLP CCCCc1ccc(C[N@H+](CC)CC[NH3+])cc1 ZINC001236143584 979410555 /nfs/dbraw/zinc/41/05/55/979410555.db2.gz KTUYXTKIEJHSER-UHFFFAOYSA-N 2 2 234.387 2.810 20 0 BFADLP CCCCc1ccc(C[N@@H+](CC)CC[NH3+])cc1 ZINC001236143584 979410563 /nfs/dbraw/zinc/41/05/63/979410563.db2.gz KTUYXTKIEJHSER-UHFFFAOYSA-N 2 2 234.387 2.810 20 0 BFADLP CCc1cccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236209225 979450509 /nfs/dbraw/zinc/45/05/09/979450509.db2.gz ZQMXAKSOTXXJRJ-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1cccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236209225 979450513 /nfs/dbraw/zinc/45/05/13/979450513.db2.gz ZQMXAKSOTXXJRJ-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cccc2sccc21 ZINC001236251114 979470406 /nfs/dbraw/zinc/47/04/06/979470406.db2.gz OWPNOCITZAATTH-GFCCVEGCSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cccc2sccc21 ZINC001236251114 979470415 /nfs/dbraw/zinc/47/04/15/979470415.db2.gz OWPNOCITZAATTH-GFCCVEGCSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236252394 979471241 /nfs/dbraw/zinc/47/12/41/979471241.db2.gz KWWPFMZGOYQUTB-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001236252394 979471245 /nfs/dbraw/zinc/47/12/45/979471245.db2.gz KWWPFMZGOYQUTB-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP Nc1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c[nH+]1 ZINC001236313009 979520241 /nfs/dbraw/zinc/52/02/41/979520241.db2.gz GKAGVFLJXCUDFD-AWEZNQCLSA-N 2 2 239.322 2.755 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC001236417661 979592538 /nfs/dbraw/zinc/59/25/38/979592538.db2.gz PXRDYSGWAGBIAL-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1ccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)cc1 ZINC001236417661 979592544 /nfs/dbraw/zinc/59/25/44/979592544.db2.gz PXRDYSGWAGBIAL-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP C[C@@H]1C[C@@H]1C[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236645926 979689910 /nfs/dbraw/zinc/68/99/10/979689910.db2.gz CJPNZVFZBOFNHP-UMVBOHGHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@@H]1C[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236645926 979689914 /nfs/dbraw/zinc/68/99/14/979689914.db2.gz CJPNZVFZBOFNHP-UMVBOHGHSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(C(C)C)cc1 ZINC001236865627 979771910 /nfs/dbraw/zinc/77/19/10/979771910.db2.gz LQYDRGWPBJGQBZ-HNNXBMFYSA-N 2 2 234.387 2.979 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C(C)C)cc1 ZINC001236865627 979771917 /nfs/dbraw/zinc/77/19/17/979771917.db2.gz LQYDRGWPBJGQBZ-HNNXBMFYSA-N 2 2 234.387 2.979 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)c(C)c1 ZINC001236868722 979773329 /nfs/dbraw/zinc/77/33/29/979773329.db2.gz HAIUFAIGLRFHST-LBPRGKRZSA-N 2 2 240.778 2.818 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)c(C)c1 ZINC001236868722 979773332 /nfs/dbraw/zinc/77/33/32/979773332.db2.gz HAIUFAIGLRFHST-LBPRGKRZSA-N 2 2 240.778 2.818 20 0 BFADLP CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236901870 979787218 /nfs/dbraw/zinc/78/72/18/979787218.db2.gz BMNBBBQKYKLAMS-UHFFFAOYSA-N 2 2 249.745 2.977 20 0 BFADLP CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236901870 979787223 /nfs/dbraw/zinc/78/72/23/979787223.db2.gz BMNBBBQKYKLAMS-UHFFFAOYSA-N 2 2 249.745 2.977 20 0 BFADLP CCCCc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236900285 979787450 /nfs/dbraw/zinc/78/74/50/979787450.db2.gz RWQGEPUSGGDGJZ-ZDUSSCGKSA-N 2 2 234.387 2.808 20 0 BFADLP CCCCc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC001236900285 979787454 /nfs/dbraw/zinc/78/74/54/979787454.db2.gz RWQGEPUSGGDGJZ-ZDUSSCGKSA-N 2 2 234.387 2.808 20 0 BFADLP c1cn(-c2ccc(C3=CCC[NH2+]CC3)cc2)c[nH+]1 ZINC001238940842 980378878 /nfs/dbraw/zinc/37/88/78/980378878.db2.gz WBJNLPIUTKSYBJ-UHFFFAOYSA-N 2 2 239.322 2.639 20 0 BFADLP c1cn2cc(-c3ccc4c[nH+]cn4c3)ccc2[nH+]1 ZINC001240217406 981166296 /nfs/dbraw/zinc/16/62/96/981166296.db2.gz BLAAMLRNWZAGGU-UHFFFAOYSA-N 2 2 234.262 2.649 20 0 BFADLP C[NH2+]Cc1ccccc1-c1ccc2[nH+]ccn2c1 ZINC001240221544 981174702 /nfs/dbraw/zinc/17/47/02/981174702.db2.gz VBSUUACSSMERID-UHFFFAOYSA-N 2 2 237.306 2.721 20 0 BFADLP c1cn2ccc(-c3ccc4c(c3)CC[NH2+]C4)cc2[nH+]1 ZINC001240455509 981392908 /nfs/dbraw/zinc/39/29/08/981392908.db2.gz UBXOHTGICNGHMR-UHFFFAOYSA-N 2 2 249.317 2.647 20 0 BFADLP [NH3+]C1(c2ccccc2-c2ccn3cc[nH+]c3c2)CC1 ZINC001240513118 981439353 /nfs/dbraw/zinc/43/93/53/981439353.db2.gz HPHZQYHTDMHRPF-UHFFFAOYSA-N 2 2 249.317 2.949 20 0 BFADLP Cc1ccc(-c2cc[nH+]c(N)c2)c(C[NH+](C)C)c1 ZINC001241176284 982328788 /nfs/dbraw/zinc/32/87/88/982328788.db2.gz YIBZIJGWRGCQQX-UHFFFAOYSA-N 2 2 241.338 2.701 20 0 BFADLP CC(C)CC[NH2+][C@@H](CC[NH+](C)C)c1cccnc1 ZINC001352087618 982465468 /nfs/dbraw/zinc/46/54/68/982465468.db2.gz CLQPPHAEOPPMLH-HNNXBMFYSA-N 2 2 249.402 2.710 20 0 BFADLP CC(C)CC[NH2+][C@H](CC[NH+](C)C)c1cccnc1 ZINC001352087620 982465552 /nfs/dbraw/zinc/46/55/52/982465552.db2.gz CLQPPHAEOPPMLH-OAHLLOKOSA-N 2 2 249.402 2.710 20 0 BFADLP CCc1ccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)[nH+]c1 ZINC001354119642 983163689 /nfs/dbraw/zinc/16/36/89/983163689.db2.gz JHFDANHRJYMYPH-YPMHNXCESA-N 2 2 233.359 2.539 20 0 BFADLP CCc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)[nH+]c1 ZINC001354119642 983163695 /nfs/dbraw/zinc/16/36/95/983163695.db2.gz JHFDANHRJYMYPH-YPMHNXCESA-N 2 2 233.359 2.539 20 0 BFADLP Cc1cn2cc(C3=C[C@H]4CC[C@@H](C3)[NH2+]4)ccc2[nH+]1 ZINC001242023772 983234039 /nfs/dbraw/zinc/23/40/39/983234039.db2.gz IKBOWSGSQKEZSV-KGLIPLIRSA-N 2 2 239.322 2.550 20 0 BFADLP CC(C)C[N@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201482777 983286191 /nfs/dbraw/zinc/28/61/91/983286191.db2.gz NNQICWWIXVJTMG-UHFFFAOYSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)C[N@@H+](C1CCCC1)C1CC[NH+](C)CC1 ZINC001201482777 983286197 /nfs/dbraw/zinc/28/61/97/983286197.db2.gz NNQICWWIXVJTMG-UHFFFAOYSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001200837993 983393159 /nfs/dbraw/zinc/39/31/59/983393159.db2.gz KGSWMECQLIEGRE-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001200837993 983393167 /nfs/dbraw/zinc/39/31/67/983393167.db2.gz KGSWMECQLIEGRE-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001200837992 983394505 /nfs/dbraw/zinc/39/45/05/983394505.db2.gz KGSWMECQLIEGRE-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC001200837992 983394510 /nfs/dbraw/zinc/39/45/10/983394510.db2.gz KGSWMECQLIEGRE-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP CSCCC[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201698061 983413759 /nfs/dbraw/zinc/41/37/59/983413759.db2.gz WJWDLULKMIVDGX-UHFFFAOYSA-N 2 2 244.448 2.544 20 0 BFADLP CSCCC[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201698061 983413766 /nfs/dbraw/zinc/41/37/66/983413766.db2.gz WJWDLULKMIVDGX-UHFFFAOYSA-N 2 2 244.448 2.544 20 0 BFADLP CC(C)(C)C[N@@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC001257346036 984913165 /nfs/dbraw/zinc/91/31/65/984913165.db2.gz ZEPGZZGQOBPRIC-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)C[N@H+]1CC[C@H]([NH2+]C2CCCC2)C1 ZINC001257346036 984913200 /nfs/dbraw/zinc/91/32/00/984913200.db2.gz ZEPGZZGQOBPRIC-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[C@H](C)[N@H+](C)C1CC[NH+](C)CC1 ZINC001257509637 985144378 /nfs/dbraw/zinc/14/43/78/985144378.db2.gz UKWMGYYDNARHFJ-ZDUSSCGKSA-N 2 2 226.408 2.981 20 0 BFADLP CCCCC[C@H](C)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001257509637 985144387 /nfs/dbraw/zinc/14/43/87/985144387.db2.gz UKWMGYYDNARHFJ-ZDUSSCGKSA-N 2 2 226.408 2.981 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+](CCCc2cccc(C)c2)C1 ZINC001578598506 985216271 /nfs/dbraw/zinc/21/62/71/985216271.db2.gz PPWGIQIOZFKPJU-MRXNPFEDSA-N 2 2 246.398 2.611 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+](CCCc2cccc(C)c2)C1 ZINC001578598506 985216285 /nfs/dbraw/zinc/21/62/85/985216285.db2.gz PPWGIQIOZFKPJU-MRXNPFEDSA-N 2 2 246.398 2.611 20 0 BFADLP Cc1cc[nH+]c(C)c1/C=C/C1CC[NH2+]CC1 ZINC001243897355 985585955 /nfs/dbraw/zinc/58/59/55/985585955.db2.gz VWJTUMMKCXWSJV-ONEGZZNKSA-N 2 2 216.328 2.711 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCC(C)(C)C3)C[C@H]21 ZINC001258609826 985985455 /nfs/dbraw/zinc/98/54/55/985985455.db2.gz ZTJCVARZDJUZNO-HZSPNIEDSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCC(C)(C)C3)C[C@H]21 ZINC001258609826 985985472 /nfs/dbraw/zinc/98/54/72/985985472.db2.gz ZTJCVARZDJUZNO-HZSPNIEDSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCC(C)(C)C3)C[C@H]21 ZINC001258609826 985985491 /nfs/dbraw/zinc/98/54/91/985985491.db2.gz ZTJCVARZDJUZNO-HZSPNIEDSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCC(C)(C)C3)C[C@H]21 ZINC001258609826 985985518 /nfs/dbraw/zinc/98/55/18/985985518.db2.gz ZTJCVARZDJUZNO-HZSPNIEDSA-N 2 2 236.403 2.591 20 0 BFADLP Cc1c2ccccc2oc1C[NH2+]CC(C)(C)[NH3+] ZINC001579534903 986076395 /nfs/dbraw/zinc/07/63/95/986076395.db2.gz VVOPZIFTWRVGCB-UHFFFAOYSA-N 2 2 232.327 2.568 20 0 BFADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001202791640 986311584 /nfs/dbraw/zinc/31/15/84/986311584.db2.gz BGJVOAYDITWAMM-AWEZNQCLSA-N 2 2 246.354 2.643 20 0 BFADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001202791640 986311594 /nfs/dbraw/zinc/31/15/94/986311594.db2.gz BGJVOAYDITWAMM-AWEZNQCLSA-N 2 2 246.354 2.643 20 0 BFADLP CC[NH+](CC)CCC[C@H](C)[NH+]1CC(C)(F)C1 ZINC001258907327 986311801 /nfs/dbraw/zinc/31/18/01/986311801.db2.gz ISTZZCMNZJSHRJ-LBPRGKRZSA-N 2 2 230.371 2.541 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CCC(C)(C)C1)C(C)(C)C ZINC001462650842 986479978 /nfs/dbraw/zinc/47/99/78/986479978.db2.gz FFSKIYYYMVYKFP-CYBMUJFWSA-N 2 2 240.435 2.990 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CCC(C)(C)C1)C(C)(C)C ZINC001462650842 986480007 /nfs/dbraw/zinc/48/00/07/986480007.db2.gz FFSKIYYYMVYKFP-CYBMUJFWSA-N 2 2 240.435 2.990 20 0 BFADLP CNc1cc(-c2cccc3c2CC[C@H]3[NH3+])cc[nH+]1 ZINC001244975119 986561757 /nfs/dbraw/zinc/56/17/57/986561757.db2.gz AMLXBNSOBZIODN-CQSZACIVSA-N 2 2 239.322 2.736 20 0 BFADLP Cc1cc(-c2ccc([C@@H](C)[NH3+])cc2)c[nH+]c1N ZINC001245539191 986925847 /nfs/dbraw/zinc/92/58/47/986925847.db2.gz UEIQKTHABHQXLY-SNVBAGLBSA-N 2 2 227.311 2.659 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1cc(C)ccn1 ZINC001255940763 987078405 /nfs/dbraw/zinc/07/84/05/987078405.db2.gz GGGHJULKYYYWBF-CQSZACIVSA-N 2 2 249.402 2.600 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCCC[C@H](F)C1 ZINC001255957693 987098022 /nfs/dbraw/zinc/09/80/22/987098022.db2.gz UTERDNIVEWMUNC-KBPBESRZSA-N 2 2 244.398 2.931 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCCC[C@H](F)C1 ZINC001255957693 987098029 /nfs/dbraw/zinc/09/80/29/987098029.db2.gz UTERDNIVEWMUNC-KBPBESRZSA-N 2 2 244.398 2.931 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2cccc3ccccc32)C[NH2+]1 ZINC001246064067 987352914 /nfs/dbraw/zinc/35/29/14/987352914.db2.gz FSDKTFHBDCWDAT-WFASDCNBSA-N 2 2 240.350 2.680 20 0 BFADLP CCC[C@@H](CC)[NH2+][C@@H](C[NH3+])c1ccccc1 ZINC001246076747 987369690 /nfs/dbraw/zinc/36/96/90/987369690.db2.gz PKLUIDNNBBIQGC-KGLIPLIRSA-N 2 2 220.360 2.855 20 0 BFADLP CCCCCC[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246088485 987391275 /nfs/dbraw/zinc/39/12/75/987391275.db2.gz UWKRDUMSPMZXKR-AVGNSLFASA-N 2 2 230.371 2.635 20 0 BFADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246091254 987397385 /nfs/dbraw/zinc/39/73/85/987397385.db2.gz IRJDWFLTCZUTGJ-CRWXNKLISA-N 2 2 244.398 2.881 20 0 BFADLP CCCC[C@@H](CCC)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246092792 987401258 /nfs/dbraw/zinc/40/12/58/987401258.db2.gz PMPFAARYWOKKKS-AGIUHOORSA-N 2 2 230.371 2.635 20 0 BFADLP CCCCC[C@H](CC)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246094356 987406259 /nfs/dbraw/zinc/40/62/59/987406259.db2.gz FBWZQIYYLLUUBR-AVGNSLFASA-N 2 2 230.371 2.635 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246109171 987442331 /nfs/dbraw/zinc/44/23/31/987442331.db2.gz KMXFIFRXZOLYAA-RQJABVFESA-N 2 2 244.398 2.737 20 0 BFADLP c1cn(CCC[N@@H+]2CC[C@H]3CCCC[C@H]3C2)c[nH+]1 ZINC001116485989 987601232 /nfs/dbraw/zinc/60/12/32/987601232.db2.gz YKYCCWARIDZOBS-CABCVRRESA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@H+]2CC[C@H]3CCCC[C@H]3C2)c[nH+]1 ZINC001116485989 987601244 /nfs/dbraw/zinc/60/12/44/987601244.db2.gz YKYCCWARIDZOBS-CABCVRRESA-N 2 2 247.386 2.785 20 0 BFADLP CCCCCC[C@@H](CC)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246219150 987616158 /nfs/dbraw/zinc/61/61/58/987616158.db2.gz FPXANNQTNAOIGZ-KBXIAJHMSA-N 2 2 238.419 2.933 20 0 BFADLP CCC[C@@H](C)CC[C@@H](C)[NH2+]C[C@@H]1CC[NH2+]1 ZINC001246219091 987617072 /nfs/dbraw/zinc/61/70/72/987617072.db2.gz XDVQPXAHVUUWIR-UPJWGTAASA-N 2 2 212.381 2.543 20 0 BFADLP CCCCC[C@@H](CCC)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246218606 987617334 /nfs/dbraw/zinc/61/73/34/987617334.db2.gz BYLKMJGCAKXQPQ-KBXIAJHMSA-N 2 2 238.419 2.933 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246231215 987628811 /nfs/dbraw/zinc/62/88/11/987628811.db2.gz CTRMVXUKCGOTIP-AEGPPILISA-N 2 2 232.371 2.724 20 0 BFADLP Cc1ccc(C(C)(C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246237915 987634738 /nfs/dbraw/zinc/63/47/38/987634738.db2.gz JVGNMSGTRHKSFT-UKRRQHHQSA-N 2 2 246.398 2.960 20 0 BFADLP Cc1ccc(C(C)(C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246237839 987635018 /nfs/dbraw/zinc/63/50/18/987635018.db2.gz INRQSUDQNJQWKU-OAHLLOKOSA-N 2 2 246.398 2.962 20 0 BFADLP COc1cc[nH+]c(NCc2cc(C)[nH+]c(C)c2)c1 ZINC001474098254 987643891 /nfs/dbraw/zinc/64/38/91/987643891.db2.gz LVNFKWVTPRMPRP-UHFFFAOYSA-N 2 2 243.310 2.714 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246262510 987659051 /nfs/dbraw/zinc/65/90/51/987659051.db2.gz UBSRZGWYHZOJSO-AWEZNQCLSA-N 2 2 232.371 2.535 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246294703 987686173 /nfs/dbraw/zinc/68/61/73/987686173.db2.gz HMOFAXHAFUXQBA-GZBFAFLISA-N 2 2 232.371 2.704 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccc3ccoc3c2)C[NH2+]1 ZINC001246330925 987739601 /nfs/dbraw/zinc/73/96/01/987739601.db2.gz ZZOWGRKINLJMNJ-SMDDNHRTSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+][C@@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246389621 987781406 /nfs/dbraw/zinc/78/14/06/987781406.db2.gz OGEGZRPDHZPFOY-JSGCOSHPSA-N 2 2 232.371 2.570 20 0 BFADLP Cc1ccc(CC[NH2+]C[C@H]2CCC[N@H+]2C)cc1C ZINC001474634000 987785693 /nfs/dbraw/zinc/78/56/93/987785693.db2.gz SZFKUGJSSZJRAV-MRXNPFEDSA-N 2 2 246.398 2.530 20 0 BFADLP Cc1ccc(CC[NH2+]C[C@H]2CCC[N@@H+]2C)cc1C ZINC001474634000 987785700 /nfs/dbraw/zinc/78/57/00/987785700.db2.gz SZFKUGJSSZJRAV-MRXNPFEDSA-N 2 2 246.398 2.530 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1ccccc1 ZINC001246461534 987819806 /nfs/dbraw/zinc/81/98/06/987819806.db2.gz LHFLYCGOGPHLIQ-VHDGCEQUSA-N 2 2 232.371 2.868 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C)c1 ZINC001246469181 987829850 /nfs/dbraw/zinc/82/98/50/987829850.db2.gz ADBGSAJWWSPPLY-HUUCEWRRSA-N 2 2 232.371 2.788 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1cc(C)cc(C)c1 ZINC001246473713 987830705 /nfs/dbraw/zinc/83/07/05/987830705.db2.gz JTJVFQANWKDYIP-GJZGRUSLSA-N 2 2 232.371 2.706 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C)c1C ZINC001246477548 987833982 /nfs/dbraw/zinc/83/39/82/987833982.db2.gz ZHUSDZWXLIIWFQ-UKRRQHHQSA-N 2 2 232.371 2.706 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1cccnc1 ZINC001246506860 987860064 /nfs/dbraw/zinc/86/00/64/987860064.db2.gz XJUIEENTPZOCDK-QEJZJMRPSA-N 2 2 247.386 2.509 20 0 BFADLP CCCCCC[C@@H](C)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246662009 988397272 /nfs/dbraw/zinc/39/72/72/988397272.db2.gz VCGRXWYAUKQTEE-HZSPNIEDSA-N 2 2 224.392 2.768 20 0 BFADLP CCCCCC[C@@H](C)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246662009 988397283 /nfs/dbraw/zinc/39/72/83/988397283.db2.gz VCGRXWYAUKQTEE-HZSPNIEDSA-N 2 2 224.392 2.768 20 0 BFADLP CCC[C@@H](C)CC[C@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663426 988399980 /nfs/dbraw/zinc/39/99/80/988399980.db2.gz MRFWEKCUUBQDAM-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H](C)CC[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246663426 988399995 /nfs/dbraw/zinc/39/99/95/988399995.db2.gz MRFWEKCUUBQDAM-LXTVHRRPSA-N 2 2 238.419 2.885 20 0 BFADLP c1csc([C@@H]2CCC[N@@H+]2[C@@H]2CCC[NH2+]C2)c1 ZINC001246786626 988467972 /nfs/dbraw/zinc/46/79/72/988467972.db2.gz MMSJPHLZLCZMQP-NEPJUHHUSA-N 2 2 236.384 2.637 20 0 BFADLP c1csc([C@@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]C2)c1 ZINC001246786626 988467974 /nfs/dbraw/zinc/46/79/74/988467974.db2.gz MMSJPHLZLCZMQP-NEPJUHHUSA-N 2 2 236.384 2.637 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+](C)[C@@H]2CCc3ccccc32)C[NH2+]1 ZINC001247002342 988837747 /nfs/dbraw/zinc/83/77/47/988837747.db2.gz SYQRKSOWAPAAIE-XNRPHZJLSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+](C)[C@@H]2CCc3ccccc32)C[NH2+]1 ZINC001247002342 988837748 /nfs/dbraw/zinc/83/77/48/988837748.db2.gz SYQRKSOWAPAAIE-XNRPHZJLSA-N 2 2 244.382 2.746 20 0 BFADLP CCC[NH+]1CCC(Nc2ccc(CC)c[nH+]2)CC1 ZINC001515327624 989026571 /nfs/dbraw/zinc/02/65/71/989026571.db2.gz KLHBINGQJKMWES-UHFFFAOYSA-N 2 2 247.386 2.930 20 0 BFADLP C[NH2+][C@H](C)CC[NH2+]Cc1c(F)cccc1Cl ZINC001326074639 989363912 /nfs/dbraw/zinc/36/39/12/989363912.db2.gz GVPSYHHDEUPNGF-SECBINFHSA-N 2 2 244.741 2.567 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC001326309744 989484429 /nfs/dbraw/zinc/48/44/29/989484429.db2.gz PXRDYSGWAGBIAL-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1ccc(C[N@H+]2CCC[C@H]2C[NH2+]C)cc1 ZINC001326309744 989484435 /nfs/dbraw/zinc/48/44/35/989484435.db2.gz PXRDYSGWAGBIAL-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP C[NH2+][C@H](C)CC[NH2+][C@@H](C)c1cccc(F)c1F ZINC001326474454 989575436 /nfs/dbraw/zinc/57/54/36/989575436.db2.gz XQNSFVNNGNIXFW-ZJUUUORDSA-N 2 2 242.313 2.613 20 0 BFADLP CCc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC001120883321 989947305 /nfs/dbraw/zinc/94/73/05/989947305.db2.gz FPJSLUZWROQFLH-UONOGXRCSA-N 2 2 245.370 2.683 20 0 BFADLP CCc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[nH+]c1 ZINC001120883321 989947308 /nfs/dbraw/zinc/94/73/08/989947308.db2.gz FPJSLUZWROQFLH-UONOGXRCSA-N 2 2 245.370 2.683 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001258066596 990963784 /nfs/dbraw/zinc/96/37/84/990963784.db2.gz PISHWYDKDCDGNK-CHWSQXEVSA-N 2 2 226.408 2.598 20 0 BFADLP Cc1[nH+]cn(C2C[C@H](C)C[C@@H](C)C2)c1CC[NH3+] ZINC001258151270 991033416 /nfs/dbraw/zinc/03/34/16/991033416.db2.gz HVMGONNVMHQYCS-GHMZBOCLSA-N 2 2 235.375 2.690 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCOc2cc[nH+]cc2)C[C@@H](C)C1 ZINC001258164160 991053250 /nfs/dbraw/zinc/05/32/50/991053250.db2.gz QVZOGRFMKOFUNM-WDNDVIMCSA-N 2 2 248.370 2.875 20 0 BFADLP CCNc1ccccc1C[N@H+](C)CCC[NH+](C)C ZINC001308747133 991117069 /nfs/dbraw/zinc/11/70/69/991117069.db2.gz ALTFYMLBNSFFGT-UHFFFAOYSA-N 2 2 249.402 2.502 20 0 BFADLP CCNc1ccccc1C[N@@H+](C)CCC[NH+](C)C ZINC001308747133 991117074 /nfs/dbraw/zinc/11/70/74/991117074.db2.gz ALTFYMLBNSFFGT-UHFFFAOYSA-N 2 2 249.402 2.502 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)[C@H]2CCC[C@@H]12 ZINC001308839013 991167903 /nfs/dbraw/zinc/16/79/03/991167903.db2.gz AEQIZJNCWGCEMF-GVRJEKJASA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)[C@H]2CCC[C@@H]12 ZINC001308839013 991167917 /nfs/dbraw/zinc/16/79/17/991167917.db2.gz AEQIZJNCWGCEMF-GVRJEKJASA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H](CC1CC1)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 ZINC001258468015 991430515 /nfs/dbraw/zinc/43/05/15/991430515.db2.gz QKRNZDLVMFHLJC-AAEUAGOBSA-N 2 2 233.359 2.711 20 0 BFADLP CC(C)[N@H+]([C@@H](C)CC1CC1)C1CC[NH+](C)CC1 ZINC001258469557 991436419 /nfs/dbraw/zinc/43/64/19/991436419.db2.gz FDXHCNJKFJKUDE-ZDUSSCGKSA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@@H+]([C@@H](C)CC1CC1)C1CC[NH+](C)CC1 ZINC001258469557 991436428 /nfs/dbraw/zinc/43/64/28/991436428.db2.gz FDXHCNJKFJKUDE-ZDUSSCGKSA-N 2 2 238.419 2.980 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258600471 991500656 /nfs/dbraw/zinc/50/06/56/991500656.db2.gz LAIYCKZWNYOVOP-GFCCVEGCSA-N 2 2 233.359 2.586 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CCC(C)(C)C1)C2 ZINC001258600471 991500665 /nfs/dbraw/zinc/50/06/65/991500665.db2.gz LAIYCKZWNYOVOP-GFCCVEGCSA-N 2 2 233.359 2.586 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001258599354 991502754 /nfs/dbraw/zinc/50/27/54/991502754.db2.gz ZJMSQLPREVVYPH-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001258599354 991502771 /nfs/dbraw/zinc/50/27/71/991502771.db2.gz ZJMSQLPREVVYPH-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP C[N@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258602658 991511627 /nfs/dbraw/zinc/51/16/27/991511627.db2.gz OFOKSKBIXHFYKE-ZDUSSCGKSA-N 2 2 224.392 2.591 20 0 BFADLP C[N@@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258602658 991511639 /nfs/dbraw/zinc/51/16/39/991511639.db2.gz OFOKSKBIXHFYKE-ZDUSSCGKSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC(C)(C)C1 ZINC001258609087 991525440 /nfs/dbraw/zinc/52/54/40/991525440.db2.gz SEZWIZRTPQJYII-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC(C)(C)C1 ZINC001258609087 991525457 /nfs/dbraw/zinc/52/54/57/991525457.db2.gz SEZWIZRTPQJYII-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[NH+]1CCC([N@@H+]2CCCCC23CC3)CC1 ZINC001258775826 991744643 /nfs/dbraw/zinc/74/46/43/991744643.db2.gz GNQZXHKGCJTQKI-UHFFFAOYSA-N 2 2 236.403 2.879 20 0 BFADLP CCC[NH+]1CCC([N@H+]2CCCCC23CC3)CC1 ZINC001258775826 991744651 /nfs/dbraw/zinc/74/46/51/991744651.db2.gz GNQZXHKGCJTQKI-UHFFFAOYSA-N 2 2 236.403 2.879 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001258817071 991832922 /nfs/dbraw/zinc/83/29/22/991832922.db2.gz MREMWWLRMXXSTA-CHWSQXEVSA-N 2 2 234.343 2.629 20 0 BFADLP Cc1[nH+]c2c(n1[C@H]1CCC[C@@H](C)C1)CC[NH2+]CC2 ZINC001258817878 991833258 /nfs/dbraw/zinc/83/32/58/991833258.db2.gz BWHGWYSUDYWFFT-YPMHNXCESA-N 2 2 247.386 2.631 20 0 BFADLP CC[N@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001258824068 991847425 /nfs/dbraw/zinc/84/74/25/991847425.db2.gz QXUIEFYMFIRPFI-UKRRQHHQSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@@H+](C1CC[NH+](C)CC1)[C@@H]1CCC[C@@H](C)C1 ZINC001258824068 991847429 /nfs/dbraw/zinc/84/74/29/991847429.db2.gz QXUIEFYMFIRPFI-UKRRQHHQSA-N 2 2 238.419 2.981 20 0 BFADLP CC[NH+](CC)CCC[C@H](C)[N@@H+]1CCC(F)(F)C1 ZINC001258907301 991899266 /nfs/dbraw/zinc/89/92/66/991899266.db2.gz HZEANBGDHKHHFG-LBPRGKRZSA-N 2 2 248.361 2.838 20 0 BFADLP CC[NH+](CC)CCC[C@H](C)[N@H+]1CCC(F)(F)C1 ZINC001258907301 991899268 /nfs/dbraw/zinc/89/92/68/991899268.db2.gz HZEANBGDHKHHFG-LBPRGKRZSA-N 2 2 248.361 2.838 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC001262195036 992789304 /nfs/dbraw/zinc/78/93/04/992789304.db2.gz MDWJMPVQBXWROM-YEWGUGPNSA-N 2 2 230.355 2.511 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1 ZINC001262195036 992789317 /nfs/dbraw/zinc/78/93/17/992789317.db2.gz MDWJMPVQBXWROM-YEWGUGPNSA-N 2 2 230.355 2.511 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH+]1CC[C@H]2CCCC[C@H]2C1 ZINC001262221480 992813780 /nfs/dbraw/zinc/81/37/80/992813780.db2.gz RYBMRKUFGAAIFZ-QLFBSQMISA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH+]1CC[C@H]2CCCC[C@H]2C1 ZINC001262221480 992813787 /nfs/dbraw/zinc/81/37/87/992813787.db2.gz RYBMRKUFGAAIFZ-QLFBSQMISA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001262221480 992813791 /nfs/dbraw/zinc/81/37/91/992813791.db2.gz RYBMRKUFGAAIFZ-QLFBSQMISA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@@H]1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001262221480 992813795 /nfs/dbraw/zinc/81/37/95/992813795.db2.gz RYBMRKUFGAAIFZ-QLFBSQMISA-N 2 2 236.403 2.593 20 0 BFADLP C[C@@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000381526772 993405141 /nfs/dbraw/zinc/40/51/41/993405141.db2.gz ZEXMDYSLNIUNHX-WBMJQRKESA-N 2 2 244.382 2.876 20 0 BFADLP C[C@@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000381526772 993405145 /nfs/dbraw/zinc/40/51/45/993405145.db2.gz ZEXMDYSLNIUNHX-WBMJQRKESA-N 2 2 244.382 2.876 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000381526771 993405591 /nfs/dbraw/zinc/40/55/91/993405591.db2.gz ZEXMDYSLNIUNHX-MLGOLLRUSA-N 2 2 244.382 2.876 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000381526771 993405594 /nfs/dbraw/zinc/40/55/94/993405594.db2.gz ZEXMDYSLNIUNHX-MLGOLLRUSA-N 2 2 244.382 2.876 20 0 BFADLP C[C@@H]1C[C@@H]([NH+]2CCC3(CCCCC3)CC2)C[NH2+]1 ZINC000383823986 993523619 /nfs/dbraw/zinc/52/36/19/993523619.db2.gz RLKUSFHJJDFXHI-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000385308735 993654314 /nfs/dbraw/zinc/65/43/14/993654314.db2.gz URYWFMDJDHTCQQ-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[NH2+]C[C@@H](C)C1 ZINC000385308735 993654319 /nfs/dbraw/zinc/65/43/19/993654319.db2.gz URYWFMDJDHTCQQ-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1C[C@@H]([N@@H+]2CC[NH2+]C[C@@H](C)C2)CC(C)(C)C1 ZINC000385259541 993656698 /nfs/dbraw/zinc/65/66/98/993656698.db2.gz UVTUEIIBXHCCEB-BFHYXJOUSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[C@@H]([N@H+]2CC[NH2+]C[C@@H](C)C2)CC(C)(C)C1 ZINC000385259541 993656700 /nfs/dbraw/zinc/65/67/00/993656700.db2.gz UVTUEIIBXHCCEB-BFHYXJOUSA-N 2 2 238.419 2.743 20 0 BFADLP CCCc1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC001577608617 993695136 /nfs/dbraw/zinc/69/51/36/993695136.db2.gz JCXURWPFSSFMRT-LLVKDONJSA-N 2 2 238.400 2.542 20 0 BFADLP Cc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cs1 ZINC000390514585 993792934 /nfs/dbraw/zinc/79/29/34/993792934.db2.gz CCLPZPBDERQZDS-ZWNOBZJWSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C[NH3+])cs1 ZINC000390514585 993792948 /nfs/dbraw/zinc/79/29/48/993792948.db2.gz CCLPZPBDERQZDS-ZWNOBZJWSA-N 2 2 238.400 2.616 20 0 BFADLP CC1(C)CCC[C@@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC001308183054 995594421 /nfs/dbraw/zinc/59/44/21/995594421.db2.gz BQKJYZRYXOQMBB-CQSZACIVSA-N 2 2 238.419 2.888 20 0 BFADLP CC1(C)CCC[C@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC001308183053 995594693 /nfs/dbraw/zinc/59/46/93/995594693.db2.gz BQKJYZRYXOQMBB-AWEZNQCLSA-N 2 2 238.419 2.888 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000628314044 349434204 /nfs/dbraw/zinc/43/42/04/349434204.db2.gz LCTKDZRKLUJTAU-AWEZNQCLSA-N 2 2 246.398 2.782 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000161612608 349477045 /nfs/dbraw/zinc/47/70/45/349477045.db2.gz OFOZWGCEYUEUHN-CHWSQXEVSA-N 2 2 248.370 2.558 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000161612608 349477048 /nfs/dbraw/zinc/47/70/48/349477048.db2.gz OFOZWGCEYUEUHN-CHWSQXEVSA-N 2 2 248.370 2.558 20 0 BFADLP CC1(C)CCC[N@@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000063074089 349505829 /nfs/dbraw/zinc/50/58/29/349505829.db2.gz VLJYGLYHXAHLNL-UHFFFAOYSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CCC[N@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000063074089 349505832 /nfs/dbraw/zinc/50/58/32/349505832.db2.gz VLJYGLYHXAHLNL-UHFFFAOYSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422941883 398159848 /nfs/dbraw/zinc/15/98/48/398159848.db2.gz VXMXHLSOZOMMOI-ONERCXAPSA-N 2 2 248.345 2.543 20 0 BFADLP Cc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cs1 ZINC000296244884 178025241 /nfs/dbraw/zinc/02/52/41/178025241.db2.gz CRYYKTVHEGSAHK-NSHDSACASA-N 2 2 249.383 2.679 20 0 BFADLP C[N@H+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746588 398168687 /nfs/dbraw/zinc/16/86/87/398168687.db2.gz LCIYCOMIMGSIJJ-PBWFPOADSA-N 2 2 248.345 2.541 20 0 BFADLP C[N@@H+](Cc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746588 398168689 /nfs/dbraw/zinc/16/86/89/398168689.db2.gz LCIYCOMIMGSIJJ-PBWFPOADSA-N 2 2 248.345 2.541 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cs1 ZINC000335550933 178040378 /nfs/dbraw/zinc/04/03/78/178040378.db2.gz QVYSJYSRTXKBKL-GWCFXTLKSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cs1 ZINC000335550933 178040382 /nfs/dbraw/zinc/04/03/82/178040382.db2.gz QVYSJYSRTXKBKL-GWCFXTLKSA-N 2 2 238.400 2.629 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000533361057 398188002 /nfs/dbraw/zinc/18/80/02/398188002.db2.gz WZSAQJYAJJFWTP-KBXIAJHMSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC000533361057 398188008 /nfs/dbraw/zinc/18/80/08/398188008.db2.gz WZSAQJYAJJFWTP-KBXIAJHMSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000386651449 398215049 /nfs/dbraw/zinc/21/50/49/398215049.db2.gz QKRLCQDGBXVJPD-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000386651449 398215052 /nfs/dbraw/zinc/21/50/52/398215052.db2.gz QKRLCQDGBXVJPD-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)cc1 ZINC000336895144 398218233 /nfs/dbraw/zinc/21/82/33/398218233.db2.gz MPGIDGVBCDQVHU-CJNGLKHVSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)cc1 ZINC000336895144 398218235 /nfs/dbraw/zinc/21/82/35/398218235.db2.gz MPGIDGVBCDQVHU-CJNGLKHVSA-N 2 2 246.398 2.994 20 0 BFADLP C[C@@H](CC1CCC1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165177192 538934690 /nfs/dbraw/zinc/93/46/90/538934690.db2.gz AVDXOMQQHJAESR-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)oc1C ZINC000282199012 178246142 /nfs/dbraw/zinc/24/61/42/178246142.db2.gz NVEFWWKPGINSMD-NSHDSACASA-N 2 2 236.359 2.641 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)oc1C ZINC000337400457 178252372 /nfs/dbraw/zinc/25/23/72/178252372.db2.gz PPABSZPXMJEPJO-RYUDHWBXSA-N 2 2 238.375 2.887 20 0 BFADLP CCC(CC)C[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000125143695 168362356 /nfs/dbraw/zinc/36/23/56/168362356.db2.gz XJVPVITVQHQQDG-MRXNPFEDSA-N 2 2 246.398 2.899 20 0 BFADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2cscc2Cl)C1 ZINC000381420296 398253696 /nfs/dbraw/zinc/25/36/96/398253696.db2.gz VPWIKWPKKWUSNQ-NSHDSACASA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cscc2Cl)C1 ZINC000381420296 398253698 /nfs/dbraw/zinc/25/36/98/398253698.db2.gz VPWIKWPKKWUSNQ-NSHDSACASA-N 2 2 244.791 2.572 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cs1 ZINC000381427122 398257360 /nfs/dbraw/zinc/25/73/60/398257360.db2.gz BTBKVMWBDAONOZ-WCQYABFASA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cs1 ZINC000381427122 398257364 /nfs/dbraw/zinc/25/73/64/398257364.db2.gz BTBKVMWBDAONOZ-WCQYABFASA-N 2 2 238.400 2.801 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CC=C(C)CC1 ZINC000309641715 342771827 /nfs/dbraw/zinc/77/18/27/342771827.db2.gz KWMYRDUBDPYJOZ-KBPBESRZSA-N 2 2 222.376 2.559 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CC=C(C)CC1 ZINC000309641715 342771829 /nfs/dbraw/zinc/77/18/29/342771829.db2.gz KWMYRDUBDPYJOZ-KBPBESRZSA-N 2 2 222.376 2.559 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000040672405 538972752 /nfs/dbraw/zinc/97/27/52/538972752.db2.gz RLPSJRSAKOTPSY-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000040672405 538972753 /nfs/dbraw/zinc/97/27/53/538972753.db2.gz RLPSJRSAKOTPSY-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000040672354 538972769 /nfs/dbraw/zinc/97/27/69/538972769.db2.gz TXAXIVMNGOXMGC-XJKSGUPXSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000040672354 538972770 /nfs/dbraw/zinc/97/27/70/538972770.db2.gz TXAXIVMNGOXMGC-XJKSGUPXSA-N 2 2 246.398 2.994 20 0 BFADLP Cn1cc[nH+]c1-c1cccc([C@H]2CCC[NH2+]2)c1 ZINC000630053750 361923365 /nfs/dbraw/zinc/92/33/65/361923365.db2.gz YYZUKZMSABKJDQ-CYBMUJFWSA-N 2 2 227.311 2.512 20 0 BFADLP Cn1cc[nH+]c1-c1cccc([C@@H]2CCC[NH2+]2)c1 ZINC000630053753 361923444 /nfs/dbraw/zinc/92/34/44/361923444.db2.gz YYZUKZMSABKJDQ-ZDUSSCGKSA-N 2 2 227.311 2.512 20 0 BFADLP Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1[nH+]ccn1C ZINC000630053512 361923526 /nfs/dbraw/zinc/92/35/26/361923526.db2.gz VALALBSBSBLBGB-CQSZACIVSA-N 2 2 241.338 2.820 20 0 BFADLP CC[NH+](CC)C[C@@H](C)Nc1cccc(C)[nH+]1 ZINC000041676895 538976147 /nfs/dbraw/zinc/97/61/47/538976147.db2.gz FVBFHVIURKWNMG-GFCCVEGCSA-N 2 2 221.348 2.532 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000381388934 538999977 /nfs/dbraw/zinc/99/99/77/538999977.db2.gz NNSRAJQBNXYZNE-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000381388934 538999978 /nfs/dbraw/zinc/99/99/78/538999978.db2.gz NNSRAJQBNXYZNE-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000071197175 361967224 /nfs/dbraw/zinc/96/72/24/361967224.db2.gz CNYGNJLNASZXSL-HNNXBMFYSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000071197175 361967226 /nfs/dbraw/zinc/96/72/26/361967226.db2.gz CNYGNJLNASZXSL-HNNXBMFYSA-N 2 2 232.371 2.567 20 0 BFADLP CC(C)C[NH+](CC(C)C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000062948764 539017342 /nfs/dbraw/zinc/01/73/42/539017342.db2.gz ZIHKSLLNWOUPHT-ZIAGYGMSSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1C[C@H]([NH3+])CC(C)C ZINC000037083501 342918243 /nfs/dbraw/zinc/91/82/43/342918243.db2.gz DHQOCCXTTLHPIS-CHWSQXEVSA-N 2 2 212.381 2.624 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1C[C@H]([NH3+])CC(C)C ZINC000037083501 342918245 /nfs/dbraw/zinc/91/82/45/342918245.db2.gz DHQOCCXTTLHPIS-CHWSQXEVSA-N 2 2 212.381 2.624 20 0 BFADLP Cc1cc[nH+]c(NCC[NH+](C(C)C)C(C)C)c1 ZINC000039318181 398329414 /nfs/dbraw/zinc/32/94/14/398329414.db2.gz CMIQEDZJRPGMRP-UHFFFAOYSA-N 2 2 235.375 2.921 20 0 BFADLP CC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)c1ccccc1 ZINC000313262253 259332102 /nfs/dbraw/zinc/33/21/02/259332102.db2.gz BHOMVTRNBYGXQI-OAHLLOKOSA-N 2 2 243.354 2.704 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000019942995 342963884 /nfs/dbraw/zinc/96/38/84/342963884.db2.gz LGXHCRFIHLAEIY-ZDUSSCGKSA-N 2 2 238.375 2.971 20 0 BFADLP CCc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)s1 ZINC000400383981 529654282 /nfs/dbraw/zinc/65/42/82/529654282.db2.gz XRHVALRKMFTSFB-GXFFZTMASA-N 2 2 238.400 2.541 20 0 BFADLP C[NH2+]C[C@@H](C)CNc1[nH+]c2ccccc2cc1C ZINC000129561665 343178028 /nfs/dbraw/zinc/17/80/28/343178028.db2.gz ZRNGMCMNAVVDKL-LLVKDONJSA-N 2 2 243.354 2.811 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC(C2CC2)C2CC2)C[N@@H+]1C1CC1 ZINC000132156086 343187474 /nfs/dbraw/zinc/18/74/74/343187474.db2.gz ZHOFAASILXDACH-SMDDNHRTSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC(C2CC2)C2CC2)C[N@H+]1C1CC1 ZINC000132156086 343187477 /nfs/dbraw/zinc/18/74/77/343187477.db2.gz ZHOFAASILXDACH-SMDDNHRTSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC(C2CC2)C2CC2)C[N@@H+]1C1CC1 ZINC000132155699 343187615 /nfs/dbraw/zinc/18/76/15/343187615.db2.gz ZHOFAASILXDACH-FZMZJTMJSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC(C2CC2)C2CC2)C[N@H+]1C1CC1 ZINC000132155699 343187617 /nfs/dbraw/zinc/18/76/17/343187617.db2.gz ZHOFAASILXDACH-FZMZJTMJSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000580035772 343321218 /nfs/dbraw/zinc/32/12/18/343321218.db2.gz FOSCPCVEZGDWDM-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000580035772 343321220 /nfs/dbraw/zinc/32/12/20/343321220.db2.gz FOSCPCVEZGDWDM-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000580035770 343321255 /nfs/dbraw/zinc/32/12/55/343321255.db2.gz FOSCPCVEZGDWDM-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000580035770 343321258 /nfs/dbraw/zinc/32/12/58/343321258.db2.gz FOSCPCVEZGDWDM-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP Fc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000036996441 343329508 /nfs/dbraw/zinc/32/95/08/343329508.db2.gz SUFNDNVRQKQZJV-HUUCEWRRSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000036996441 343329510 /nfs/dbraw/zinc/32/95/10/343329510.db2.gz SUFNDNVRQKQZJV-HUUCEWRRSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000036996467 343329707 /nfs/dbraw/zinc/32/97/07/343329707.db2.gz QUYOHUSEXGDIIG-HUUCEWRRSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000036996467 343329709 /nfs/dbraw/zinc/32/97/09/343329709.db2.gz QUYOHUSEXGDIIG-HUUCEWRRSA-N 2 2 248.345 2.542 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1 ZINC000214361396 343315364 /nfs/dbraw/zinc/31/53/64/343315364.db2.gz ZMGBPGNHGOCJPQ-FMWNCBFRSA-N 2 2 244.382 2.902 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C/C=C\c1ccccc1 ZINC000214361396 343315366 /nfs/dbraw/zinc/31/53/66/343315366.db2.gz ZMGBPGNHGOCJPQ-FMWNCBFRSA-N 2 2 244.382 2.902 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)CCc1ccccc1)[NH+](C)C ZINC000038088762 343370258 /nfs/dbraw/zinc/37/02/58/343370258.db2.gz RDWKIUPOISFKIP-UONOGXRCSA-N 2 2 234.387 2.547 20 0 BFADLP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000037150989 343336843 /nfs/dbraw/zinc/33/68/43/343336843.db2.gz WLIXYGKPBWRQKT-GFCCVEGCSA-N 2 2 248.370 2.527 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCc2ccccc21 ZINC000037157969 343337234 /nfs/dbraw/zinc/33/72/34/343337234.db2.gz DBVKTDBVHBQLOC-DOMZBBRYSA-N 2 2 241.338 2.549 20 0 BFADLP CC1CC(Nc2ccc(Cn3cc[nH+]c3)c[nH+]2)C1 ZINC000348833246 136303496 /nfs/dbraw/zinc/30/34/96/136303496.db2.gz LTMZCXJJOISQMA-UHFFFAOYSA-N 2 2 242.326 2.537 20 0 BFADLP Cc1ccc(F)c(C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000348890799 136308132 /nfs/dbraw/zinc/30/81/32/136308132.db2.gz FJUVZWNGQQXUSV-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP Cc1ccc(F)c(C[N@H+](C)CCC[NH+](C)C)c1 ZINC000348890799 136308133 /nfs/dbraw/zinc/30/81/33/136308133.db2.gz FJUVZWNGQQXUSV-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)o1 ZINC000349424160 136346304 /nfs/dbraw/zinc/34/63/04/136346304.db2.gz ZOGHJFYTFOBLNH-UHFFFAOYSA-N 2 2 244.766 2.707 20 0 BFADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)o1 ZINC000349424160 136346305 /nfs/dbraw/zinc/34/63/05/136346305.db2.gz ZOGHJFYTFOBLNH-UHFFFAOYSA-N 2 2 244.766 2.707 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000584095305 343538011 /nfs/dbraw/zinc/53/80/11/343538011.db2.gz QQVQFRXWWZPBQN-NWDGAFQWSA-N 2 2 226.408 2.883 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000584095305 343538013 /nfs/dbraw/zinc/53/80/13/343538013.db2.gz QQVQFRXWWZPBQN-NWDGAFQWSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)(C)C[NH2+]CCCCNc1cccc[nH+]1 ZINC000119034876 343606118 /nfs/dbraw/zinc/60/61/18/343606118.db2.gz GDGGTFJFPBFOID-UHFFFAOYSA-N 2 2 235.375 2.909 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@@H+]([C@@H]1C=CCCCCC1)C2 ZINC000625434569 343734732 /nfs/dbraw/zinc/73/47/32/343734732.db2.gz BIADFLBBHKHJPJ-GFCCVEGCSA-N 2 2 231.343 2.657 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@H+]([C@@H]1C=CCCCCC1)C2 ZINC000625434569 343734734 /nfs/dbraw/zinc/73/47/34/343734734.db2.gz BIADFLBBHKHJPJ-GFCCVEGCSA-N 2 2 231.343 2.657 20 0 BFADLP CC[N@H+](Cc1cccc2[nH+]ccn21)C(C)C ZINC000179666517 346992412 /nfs/dbraw/zinc/99/24/12/346992412.db2.gz FDHNWZINAYDPGJ-UHFFFAOYSA-N 2 2 217.316 2.565 20 0 BFADLP CC[N@@H+](Cc1cccc2[nH+]ccn21)C(C)C ZINC000179666517 346992414 /nfs/dbraw/zinc/99/24/14/346992414.db2.gz FDHNWZINAYDPGJ-UHFFFAOYSA-N 2 2 217.316 2.565 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CC(C)(C)CCC1(C)C ZINC000625723450 344056675 /nfs/dbraw/zinc/05/66/75/344056675.db2.gz OXGMHWWTYXOSFP-UHFFFAOYSA-N 2 2 249.402 2.863 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CC(C)(C)CCC1(C)C ZINC000625723450 344056676 /nfs/dbraw/zinc/05/66/76/344056676.db2.gz OXGMHWWTYXOSFP-UHFFFAOYSA-N 2 2 249.402 2.863 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348111181 537840535 /nfs/dbraw/zinc/84/05/35/537840535.db2.gz NWKICGCRZXKYFW-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348111181 537840540 /nfs/dbraw/zinc/84/05/40/537840540.db2.gz NWKICGCRZXKYFW-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)C[NH+](C)C ZINC000130137148 344219073 /nfs/dbraw/zinc/21/90/73/344219073.db2.gz LGKKCBYKHBUZFA-RWMBFGLXSA-N 2 2 214.397 2.741 20 0 BFADLP C/C=C\C[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000385048298 344305423 /nfs/dbraw/zinc/30/54/23/344305423.db2.gz SDPHVPYOMCUIDR-RAQZUPNJSA-N 2 2 244.382 2.815 20 0 BFADLP C/C=C\C[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000385048298 344305425 /nfs/dbraw/zinc/30/54/25/344305425.db2.gz SDPHVPYOMCUIDR-RAQZUPNJSA-N 2 2 244.382 2.815 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccs1 ZINC000043327623 344489176 /nfs/dbraw/zinc/48/91/76/344489176.db2.gz XXJZJYOEUKOOBH-WDEREUQCSA-N 2 2 224.373 2.541 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152741110 344684888 /nfs/dbraw/zinc/68/48/88/344684888.db2.gz YJMJSAVMVCMWLL-QWHCGFSZSA-N 2 2 249.402 2.786 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000318950173 259380705 /nfs/dbraw/zinc/38/07/05/259380705.db2.gz CTXKFJUNFPQGQM-WFASDCNBSA-N 2 2 232.371 2.508 20 0 BFADLP CC(C)[C@H](C)Nc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000348835294 534972698 /nfs/dbraw/zinc/97/26/98/534972698.db2.gz SXRLMYAZRRJSCN-LBPRGKRZSA-N 2 2 244.342 2.783 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+]CCn2cc[nH+]c2)cc1 ZINC000628199744 344967497 /nfs/dbraw/zinc/96/74/97/344967497.db2.gz GKTGCZLHGTVLPI-CQSZACIVSA-N 2 2 243.354 2.585 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)C1(C)CC1 ZINC000153781679 344972896 /nfs/dbraw/zinc/97/28/96/344972896.db2.gz HFTPGHDCWXBXAN-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCC2)C1)C1(C)CC1 ZINC000153781679 344972900 /nfs/dbraw/zinc/97/29/00/344972900.db2.gz HFTPGHDCWXBXAN-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1(C)CC1 ZINC000153781387 344973249 /nfs/dbraw/zinc/97/32/49/344973249.db2.gz HFTPGHDCWXBXAN-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1(C)CC1 ZINC000153781387 344973251 /nfs/dbraw/zinc/97/32/51/344973251.db2.gz HFTPGHDCWXBXAN-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCCC1 ZINC000387574000 344939051 /nfs/dbraw/zinc/93/90/51/344939051.db2.gz KFUQXGIDBWNGMO-AWEZNQCLSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000044353263 345032573 /nfs/dbraw/zinc/03/25/73/345032573.db2.gz ISCKQYGDSIRHGH-UONOGXRCSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CCCCn2cc[nH+]c2)C1 ZINC000044353262 345032606 /nfs/dbraw/zinc/03/26/06/345032606.db2.gz ISCKQYGDSIRHGH-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154526859 345040497 /nfs/dbraw/zinc/04/04/97/345040497.db2.gz NHZCTJIUWIKCEJ-BBRMVZONSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154526859 345040498 /nfs/dbraw/zinc/04/04/98/345040498.db2.gz NHZCTJIUWIKCEJ-BBRMVZONSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154526961 345040668 /nfs/dbraw/zinc/04/06/68/345040668.db2.gz NHZCTJIUWIKCEJ-XJKSGUPXSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154526961 345040672 /nfs/dbraw/zinc/04/06/72/345040672.db2.gz NHZCTJIUWIKCEJ-XJKSGUPXSA-N 2 2 244.382 2.666 20 0 BFADLP CCC[C@]1(C)CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993332 345189734 /nfs/dbraw/zinc/18/97/34/345189734.db2.gz QXMMGBKSANJFAR-SHARSMKWSA-N 2 2 236.403 2.641 20 0 BFADLP CCC[C@]1(C)CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993332 345189736 /nfs/dbraw/zinc/18/97/36/345189736.db2.gz QXMMGBKSANJFAR-SHARSMKWSA-N 2 2 236.403 2.641 20 0 BFADLP C[N@H+](CC12CC(C1)C[NH2+]2)C1CCC(C)(C)CC1 ZINC000634993586 345191281 /nfs/dbraw/zinc/19/12/81/345191281.db2.gz ZCBSSJZXRGRMJP-UHFFFAOYSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@@H+](CC12CC(C1)C[NH2+]2)C1CCC(C)(C)CC1 ZINC000634993586 345191283 /nfs/dbraw/zinc/19/12/83/345191283.db2.gz ZCBSSJZXRGRMJP-UHFFFAOYSA-N 2 2 236.403 2.639 20 0 BFADLP C([N@@H+]1CC[C@H](C2CCCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996519 345188338 /nfs/dbraw/zinc/18/83/38/345188338.db2.gz MGWXCVANQKNNFP-SIWZUTFBSA-N 2 2 248.414 2.641 20 0 BFADLP C([N@H+]1CC[C@H](C2CCCCC2)C1)C12CC(C1)C[NH2+]2 ZINC000634996519 345188339 /nfs/dbraw/zinc/18/83/39/345188339.db2.gz MGWXCVANQKNNFP-SIWZUTFBSA-N 2 2 248.414 2.641 20 0 BFADLP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000226708923 345239410 /nfs/dbraw/zinc/23/94/10/345239410.db2.gz NXUXVQLEKQGYEM-CABCVRRESA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH2+]C)C1 ZINC000226708923 345239412 /nfs/dbraw/zinc/23/94/12/345239412.db2.gz NXUXVQLEKQGYEM-CABCVRRESA-N 2 2 232.371 2.822 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C(C)C)C1CC1)[NH+](C)C ZINC000131895563 345311070 /nfs/dbraw/zinc/31/10/70/345311070.db2.gz CNVQJDGLALVVTI-CABCVRRESA-N 2 2 240.435 2.987 20 0 BFADLP CC(C)CCC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000159208913 345415829 /nfs/dbraw/zinc/41/58/29/345415829.db2.gz HGLVADJKJAGJTF-OLZOCXBDSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CCC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000159208913 345415831 /nfs/dbraw/zinc/41/58/31/345415831.db2.gz HGLVADJKJAGJTF-OLZOCXBDSA-N 2 2 212.381 2.624 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccco1 ZINC000090847323 345577159 /nfs/dbraw/zinc/57/71/59/345577159.db2.gz UFGVDPNPMNRTJY-LBPRGKRZSA-N 2 2 230.311 2.876 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@H]3CC=CCC3)C2)[nH]1 ZINC000092071603 345615424 /nfs/dbraw/zinc/61/54/24/345615424.db2.gz JHJJTGYCOREAIY-KBPBESRZSA-N 2 2 245.370 2.945 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@H]3CC=CCC3)C2)[nH]1 ZINC000092071603 345615426 /nfs/dbraw/zinc/61/54/26/345615426.db2.gz JHJJTGYCOREAIY-KBPBESRZSA-N 2 2 245.370 2.945 20 0 BFADLP C[C@H](C[NH2+]C/C=C\c1ccccc1)[N@H+](C)C1CC1 ZINC000310599370 259384121 /nfs/dbraw/zinc/38/41/21/259384121.db2.gz HCWBDXQNRHXPLZ-DEBLGDTFSA-N 2 2 244.382 2.772 20 0 BFADLP C[C@H](C[NH2+]C/C=C\c1ccccc1)[N@@H+](C)C1CC1 ZINC000310599370 259384122 /nfs/dbraw/zinc/38/41/22/259384122.db2.gz HCWBDXQNRHXPLZ-DEBLGDTFSA-N 2 2 244.382 2.772 20 0 BFADLP Cc1cccc([N@H+](C)CC[C@H]2CC[NH2+]C2)c1C ZINC000222897460 345748679 /nfs/dbraw/zinc/74/86/79/345748679.db2.gz VRAQVXZNHWNBHW-CQSZACIVSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1cccc([N@@H+](C)CC[C@H]2CC[NH2+]C2)c1C ZINC000222897460 345748681 /nfs/dbraw/zinc/74/86/81/345748681.db2.gz VRAQVXZNHWNBHW-CQSZACIVSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1ccc(CCC2CC[NH+](CC[NH3+])CC2)cc1 ZINC000150216136 345738354 /nfs/dbraw/zinc/73/83/54/345738354.db2.gz DHBMBWQLDIYSSF-UHFFFAOYSA-N 2 2 246.398 2.598 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CCC[N@H+](C)C2)cc1 ZINC000628208260 345785982 /nfs/dbraw/zinc/78/59/82/345785982.db2.gz FVKMMAMTQOXDNO-GOEBONIOSA-N 2 2 246.398 2.782 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+][C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000628208260 345785984 /nfs/dbraw/zinc/78/59/84/345785984.db2.gz FVKMMAMTQOXDNO-GOEBONIOSA-N 2 2 246.398 2.782 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000222060748 535010811 /nfs/dbraw/zinc/01/08/11/535010811.db2.gz MJTMOSUBSQVDHW-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000222060748 535010814 /nfs/dbraw/zinc/01/08/14/535010814.db2.gz MJTMOSUBSQVDHW-RDBSUJKOSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000397822022 323097437 /nfs/dbraw/zinc/09/74/37/323097437.db2.gz LAPGLXMOHORTLZ-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H](C)C[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000577076600 365806241 /nfs/dbraw/zinc/80/62/41/365806241.db2.gz BISNLYPEPSWOQC-GHMZBOCLSA-N 2 2 223.364 2.643 20 0 BFADLP CC[C@H](C)C[C@@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000577076607 365806252 /nfs/dbraw/zinc/80/62/52/365806252.db2.gz BISNLYPEPSWOQC-WDEREUQCSA-N 2 2 223.364 2.643 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+]C[C@@H](C)[NH+](C)C)cc1 ZINC000628233820 346192495 /nfs/dbraw/zinc/19/24/95/346192495.db2.gz WWMMWTOVHSQRQP-UONOGXRCSA-N 2 2 234.387 2.638 20 0 BFADLP Cc1ccc([C@@H](C)C[NH2+]C[C@H](C)[NH+](C)C)cc1 ZINC000628233818 346192840 /nfs/dbraw/zinc/19/28/40/346192840.db2.gz WWMMWTOVHSQRQP-KBPBESRZSA-N 2 2 234.387 2.638 20 0 BFADLP C/C=C/C[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000626162881 346274180 /nfs/dbraw/zinc/27/41/80/346274180.db2.gz AAFKESLIRCJDJV-XYBNCVKDSA-N 2 2 247.386 2.951 20 0 BFADLP C/C=C/C[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000626162881 346274183 /nfs/dbraw/zinc/27/41/83/346274183.db2.gz AAFKESLIRCJDJV-XYBNCVKDSA-N 2 2 247.386 2.951 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000355030450 179048808 /nfs/dbraw/zinc/04/88/08/179048808.db2.gz DBVRQLJMZGCWPR-QLFBSQMISA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000355030450 179048809 /nfs/dbraw/zinc/04/88/09/179048809.db2.gz DBVRQLJMZGCWPR-QLFBSQMISA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1 ZINC000042546139 179061587 /nfs/dbraw/zinc/06/15/87/179061587.db2.gz SBFYSPNNCARDHP-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1 ZINC000042546139 179061590 /nfs/dbraw/zinc/06/15/90/179061590.db2.gz SBFYSPNNCARDHP-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[N@@H+](C)[C@@H]2CCCC[NH2+]C2)c1 ZINC000054135561 179069524 /nfs/dbraw/zinc/06/95/24/179069524.db2.gz VEIWDWWOSAIAGS-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1cccc(C[N@H+](C)[C@@H]2CCCC[NH2+]C2)c1 ZINC000054135561 179069527 /nfs/dbraw/zinc/06/95/27/179069527.db2.gz VEIWDWWOSAIAGS-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1cccc(C[N@@H+](C)C[C@@H]([NH3+])CC(C)C)c1 ZINC000042435911 179065261 /nfs/dbraw/zinc/06/52/61/179065261.db2.gz YPWWHOFOOWTOMF-HNNXBMFYSA-N 2 2 234.387 2.800 20 0 BFADLP Cc1cccc(C[N@H+](C)C[C@@H]([NH3+])CC(C)C)c1 ZINC000042435911 179065266 /nfs/dbraw/zinc/06/52/66/179065266.db2.gz YPWWHOFOOWTOMF-HNNXBMFYSA-N 2 2 234.387 2.800 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000309527653 347093469 /nfs/dbraw/zinc/09/34/69/347093469.db2.gz CSVWWQWLTIEDJD-MJBXVCDLSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309527653 347093470 /nfs/dbraw/zinc/09/34/70/347093470.db2.gz CSVWWQWLTIEDJD-MJBXVCDLSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C(C)(C)C ZINC000580084149 346516094 /nfs/dbraw/zinc/51/60/94/346516094.db2.gz MEVLXXYGYTZSHX-QJPTWQEYSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C(C)(C)C ZINC000580084149 346516097 /nfs/dbraw/zinc/51/60/97/346516097.db2.gz MEVLXXYGYTZSHX-QJPTWQEYSA-N 2 2 224.392 2.636 20 0 BFADLP CCc1ccccc1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000580097670 346522719 /nfs/dbraw/zinc/52/27/19/346522719.db2.gz VXRNETRKDOKQKO-UHFFFAOYSA-N 2 2 243.354 2.581 20 0 BFADLP C[C@H](CCc1ccccc1)C[NH2+][C@@H](C)C[NH+](C)C ZINC000577141080 365835442 /nfs/dbraw/zinc/83/54/42/365835442.db2.gz YKTNODMZDRDPNA-CABCVRRESA-N 2 2 248.414 2.795 20 0 BFADLP c1[nH]cc(C2CC[NH+]([C@@H]3C=CCCC3)CC2)[nH+]1 ZINC000334144944 187369997 /nfs/dbraw/zinc/36/99/97/187369997.db2.gz JHIXLDFFDRQORS-CYBMUJFWSA-N 2 2 231.343 2.698 20 0 BFADLP CC(C)CC[C@H]1CCC[C@@H]1[NH2+]CC[NH+](C)C ZINC000309673007 347132555 /nfs/dbraw/zinc/13/25/55/347132555.db2.gz KRXBNZWLGYCYJP-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000154641277 179182141 /nfs/dbraw/zinc/18/21/41/179182141.db2.gz KSNCKNDFARLIGK-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000154641277 179182145 /nfs/dbraw/zinc/18/21/45/179182145.db2.gz KSNCKNDFARLIGK-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)CC(C)C ZINC000301010052 347327578 /nfs/dbraw/zinc/32/75/78/347327578.db2.gz YPNSCQYLZIBOSB-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](C)CC(C)C ZINC000301010052 347327581 /nfs/dbraw/zinc/32/75/81/347327581.db2.gz YPNSCQYLZIBOSB-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)C1CCCCC1 ZINC000020073153 347403233 /nfs/dbraw/zinc/40/32/33/347403233.db2.gz CPJBHPJYUXFGHP-GFCCVEGCSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)C1CCCCC1 ZINC000020073153 347403235 /nfs/dbraw/zinc/40/32/35/347403235.db2.gz CPJBHPJYUXFGHP-GFCCVEGCSA-N 2 2 212.381 2.624 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H](C)[NH+](C)C ZINC000356928500 187377328 /nfs/dbraw/zinc/37/73/28/187377328.db2.gz VTDQBJPRGZKYNW-ZVHGMHCTSA-N 2 2 232.371 2.630 20 0 BFADLP Cc1ccccc1C1CC([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000038087780 179256645 /nfs/dbraw/zinc/25/66/45/179256645.db2.gz RWYQGKSREMBMAF-NFOMZHRRSA-N 2 2 246.398 2.781 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868395 347708282 /nfs/dbraw/zinc/70/82/82/347708282.db2.gz ZEFDNOFTTYKKFM-ZDUSSCGKSA-N 2 2 221.348 2.566 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591868395 347708285 /nfs/dbraw/zinc/70/82/85/347708285.db2.gz ZEFDNOFTTYKKFM-ZDUSSCGKSA-N 2 2 221.348 2.566 20 0 BFADLP c1cn([C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000591867975 347708431 /nfs/dbraw/zinc/70/84/31/347708431.db2.gz VCXLCSKZGNBJDR-HNNXBMFYSA-N 2 2 241.338 2.720 20 0 BFADLP c1cn([C@H]2CCC[N@H+](Cc3ccccc3)C2)c[nH+]1 ZINC000591867975 347708433 /nfs/dbraw/zinc/70/84/33/347708433.db2.gz VCXLCSKZGNBJDR-HNNXBMFYSA-N 2 2 241.338 2.720 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000531967966 323160029 /nfs/dbraw/zinc/16/00/29/323160029.db2.gz PWUGXQJDVSJLAV-BARDWOONSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCCC[C@H]1C ZINC000531967966 323160030 /nfs/dbraw/zinc/16/00/30/323160030.db2.gz PWUGXQJDVSJLAV-BARDWOONSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037157761 179320764 /nfs/dbraw/zinc/32/07/64/179320764.db2.gz IVWHSBZSKNKXCU-UONOGXRCSA-N 2 2 243.354 2.931 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H](C)CC1CC1 ZINC000120348727 187385164 /nfs/dbraw/zinc/38/51/64/187385164.db2.gz BXQDMEHBARZDBQ-OCCSQVGLSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044684645 179339507 /nfs/dbraw/zinc/33/95/07/179339507.db2.gz JMWXAYIEBVSJGE-UONOGXRCSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000044684645 179339511 /nfs/dbraw/zinc/33/95/11/179339511.db2.gz JMWXAYIEBVSJGE-UONOGXRCSA-N 2 2 244.382 2.882 20 0 BFADLP C[N@H+](CC[NH2+]C(C)(C)C)CCc1cccs1 ZINC000082602428 348098139 /nfs/dbraw/zinc/09/81/39/348098139.db2.gz OXYXWUUFWGAECP-UHFFFAOYSA-N 2 2 240.416 2.611 20 0 BFADLP C[N@@H+](CC[NH2+]C(C)(C)C)CCc1cccs1 ZINC000082602428 348098141 /nfs/dbraw/zinc/09/81/41/348098141.db2.gz OXYXWUUFWGAECP-UHFFFAOYSA-N 2 2 240.416 2.611 20 0 BFADLP C[NH2+]CC[N@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000070303297 349990963 /nfs/dbraw/zinc/99/09/63/349990963.db2.gz MSQIUQCPJHCZPK-AWEZNQCLSA-N 2 2 234.387 2.824 20 0 BFADLP C[NH2+]CC[N@@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000070303297 349990967 /nfs/dbraw/zinc/99/09/67/349990967.db2.gz MSQIUQCPJHCZPK-AWEZNQCLSA-N 2 2 234.387 2.824 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000289015005 179476829 /nfs/dbraw/zinc/47/68/29/179476829.db2.gz AGIDUMYIYDQINE-ZIAGYGMSSA-N 2 2 232.371 2.910 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H]1CC=CCC1 ZINC000269933678 179696853 /nfs/dbraw/zinc/69/68/53/179696853.db2.gz DGVHNAREFKDFGU-AWEZNQCLSA-N 2 2 230.355 2.878 20 0 BFADLP CC(C)CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000159208765 348886160 /nfs/dbraw/zinc/88/61/60/348886160.db2.gz HGLVADJKJAGJTF-CHWSQXEVSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000159208765 348886164 /nfs/dbraw/zinc/88/61/64/348886164.db2.gz HGLVADJKJAGJTF-CHWSQXEVSA-N 2 2 212.381 2.624 20 0 BFADLP CC[C@H](C)C[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000082927455 349265451 /nfs/dbraw/zinc/26/54/51/349265451.db2.gz ZEFVRLZWRPMFFJ-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@H](C)C[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000082927455 349265454 /nfs/dbraw/zinc/26/54/54/349265454.db2.gz ZEFVRLZWRPMFFJ-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H](C)CC1CC1)[NH+](C)C ZINC000131874669 191017497 /nfs/dbraw/zinc/01/74/97/191017497.db2.gz UEINIBAUSMZYGE-JSGCOSHPSA-N 2 2 226.408 2.741 20 0 BFADLP CCC[C@@H](CC)[NH2+]CC1([NH+](C)C)CCC1 ZINC000219265030 350118758 /nfs/dbraw/zinc/11/87/58/350118758.db2.gz PGJSXFWSXWPEDE-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)C(C)C ZINC000020186693 180104537 /nfs/dbraw/zinc/10/45/37/180104537.db2.gz PDQVXBZXGJORLO-GFCCVEGCSA-N 2 2 245.370 2.979 20 0 BFADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCC=C(F)C1 ZINC000352780251 180232140 /nfs/dbraw/zinc/23/21/40/180232140.db2.gz SNCZUFSUNIJKFL-UHFFFAOYSA-N 2 2 237.322 2.531 20 0 BFADLP Cc1[nH+]ccn1CCCC[N@H+]1CCC=C(F)C1 ZINC000352780251 180232145 /nfs/dbraw/zinc/23/21/45/180232145.db2.gz SNCZUFSUNIJKFL-UHFFFAOYSA-N 2 2 237.322 2.531 20 0 BFADLP Cc1[nH+]ccn1CCCn1cc[nH+]c1C(C)C ZINC000272531264 180248525 /nfs/dbraw/zinc/24/85/25/180248525.db2.gz YYDDRDGXXGNXJT-UHFFFAOYSA-N 2 2 232.331 2.602 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000336693728 180254394 /nfs/dbraw/zinc/25/43/94/180254394.db2.gz DAFHFAWAJKKCAE-OAHLLOKOSA-N 2 2 241.338 2.639 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H]1c1ccccc1 ZINC000336693728 180254396 /nfs/dbraw/zinc/25/43/96/180254396.db2.gz DAFHFAWAJKKCAE-OAHLLOKOSA-N 2 2 241.338 2.639 20 0 BFADLP Cc1[nH+]cn(Cc2cn3c(cccc3C)[nH+]2)c1C ZINC000171992752 180289896 /nfs/dbraw/zinc/28/98/96/180289896.db2.gz NCRLOPXMBNQAPS-UHFFFAOYSA-N 2 2 240.310 2.504 20 0 BFADLP Cc1[nH+]cn(CC[N@@H+](C)Cc2ccccc2)c1C ZINC000297592467 180287112 /nfs/dbraw/zinc/28/71/12/180287112.db2.gz UIFCUPRGRAMNMV-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP Cc1[nH+]cn(CC[N@H+](C)Cc2ccccc2)c1C ZINC000297592467 180287114 /nfs/dbraw/zinc/28/71/14/180287114.db2.gz UIFCUPRGRAMNMV-UHFFFAOYSA-N 2 2 243.354 2.632 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427873596 191098795 /nfs/dbraw/zinc/09/87/95/191098795.db2.gz OHQXJSCUNJMRGD-STQMWFEESA-N 2 2 235.375 2.756 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427873594 191099085 /nfs/dbraw/zinc/09/90/85/191099085.db2.gz OHQXJSCUNJMRGD-QWHCGFSZSA-N 2 2 235.375 2.756 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCCCCC1 ZINC000035275510 358456286 /nfs/dbraw/zinc/45/62/86/358456286.db2.gz RKQXPVLJFNTCJX-LBPRGKRZSA-N 2 2 221.348 2.584 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337517618 350593194 /nfs/dbraw/zinc/59/31/94/350593194.db2.gz MWGZFXHAIYEQHG-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000337517618 350593195 /nfs/dbraw/zinc/59/31/95/350593195.db2.gz MWGZFXHAIYEQHG-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337986893 350660416 /nfs/dbraw/zinc/66/04/16/350660416.db2.gz CNUXQHGQGOJUJL-RBSFLKMASA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337986893 350660418 /nfs/dbraw/zinc/66/04/18/350660418.db2.gz CNUXQHGQGOJUJL-RBSFLKMASA-N 2 2 236.403 2.639 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC23CCCCC3)n1C ZINC000623569148 362996619 /nfs/dbraw/zinc/99/66/19/362996619.db2.gz WAXXHKJUMTVNAQ-CYBMUJFWSA-N 2 2 233.359 2.541 20 0 BFADLP Cc1sccc1C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000339343190 180565434 /nfs/dbraw/zinc/56/54/34/180565434.db2.gz JFXYSRCOOFYERM-ZWNOBZJWSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1sccc1C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000339343190 180565436 /nfs/dbraw/zinc/56/54/36/180565436.db2.gz JFXYSRCOOFYERM-ZWNOBZJWSA-N 2 2 238.400 2.629 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000034957503 351362705 /nfs/dbraw/zinc/36/27/05/351362705.db2.gz PPSQDOFKQXYJLW-UHFFFAOYSA-N 2 2 232.371 2.605 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000034957503 351362708 /nfs/dbraw/zinc/36/27/08/351362708.db2.gz PPSQDOFKQXYJLW-UHFFFAOYSA-N 2 2 232.371 2.605 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414792940 351773028 /nfs/dbraw/zinc/77/30/28/351773028.db2.gz JJURJBIQDXWFMQ-GFCCVEGCSA-N 2 2 244.741 2.552 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000414959684 352381797 /nfs/dbraw/zinc/38/17/97/352381797.db2.gz QCXVDYOZKXIPCD-LLVKDONJSA-N 2 2 240.778 2.736 20 0 BFADLP Cc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000044540610 352654529 /nfs/dbraw/zinc/65/45/29/352654529.db2.gz SGLIZCJUJTZUOL-CYBMUJFWSA-N 2 2 238.400 2.678 20 0 BFADLP Cc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000044540610 352654532 /nfs/dbraw/zinc/65/45/32/352654532.db2.gz SGLIZCJUJTZUOL-CYBMUJFWSA-N 2 2 238.400 2.678 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000043326417 352636625 /nfs/dbraw/zinc/63/66/25/352636625.db2.gz NJHXGUMKLCWUBQ-GJZGRUSLSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043324530 352636683 /nfs/dbraw/zinc/63/66/83/352636683.db2.gz SJYKVBYYHWCFRZ-MFKMUULPSA-N 2 2 238.762 2.743 20 0 BFADLP Clc1ccc(C[NH2+]CCC[NH+]2CCCC2)o1 ZINC000037487746 358474035 /nfs/dbraw/zinc/47/40/35/358474035.db2.gz AFVLMNYDFGCXTF-UHFFFAOYSA-N 2 2 242.750 2.509 20 0 BFADLP C[C@@H](C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000638864609 353038280 /nfs/dbraw/zinc/03/82/80/353038280.db2.gz ANPVHIQZJLMCMV-NUEKZKHPSA-N 2 2 246.398 2.720 20 0 BFADLP CCc1ccc([C@@H](CC)[NH2+]CC[NH+](C)C)cc1 ZINC000037223523 188082845 /nfs/dbraw/zinc/08/28/45/188082845.db2.gz NKGFONYBQGDMAG-OAHLLOKOSA-N 2 2 234.387 2.851 20 0 BFADLP C(C1CCCC1)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000020386225 188108804 /nfs/dbraw/zinc/10/88/04/188108804.db2.gz CHNARMOMLAMTIQ-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP C(C1CCCC1)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000020386225 188108805 /nfs/dbraw/zinc/10/88/05/188108805.db2.gz CHNARMOMLAMTIQ-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP CC(C)[C@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162849726 188160705 /nfs/dbraw/zinc/16/07/05/188160705.db2.gz PBFPJBMSIBDVBW-ZDUSSCGKSA-N 2 2 235.375 2.908 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000309347719 188166758 /nfs/dbraw/zinc/16/67/58/188166758.db2.gz MDAQTUNXCXCOFT-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000309347719 188166759 /nfs/dbraw/zinc/16/67/59/188166759.db2.gz MDAQTUNXCXCOFT-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCCC1 ZINC000336726583 188167542 /nfs/dbraw/zinc/16/75/42/188167542.db2.gz CESLPACKMNNGFH-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]C1CCCC1 ZINC000336726583 188167544 /nfs/dbraw/zinc/16/75/44/188167544.db2.gz CESLPACKMNNGFH-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP c1c[nH+]c(C2CC[NH+](C[C@H]3CC=CCC3)CC2)[nH]1 ZINC000271133250 188199121 /nfs/dbraw/zinc/19/91/21/188199121.db2.gz AVPKANGJUDKYIY-ZDUSSCGKSA-N 2 2 245.370 2.945 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CC1)[N@@H+]1CCCC[C@@H]1C ZINC000165257445 353269010 /nfs/dbraw/zinc/26/90/10/353269010.db2.gz URXRNZAQWUJQEF-AVGNSLFASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CC1)[N@H+]1CCCC[C@@H]1C ZINC000165257445 353269014 /nfs/dbraw/zinc/26/90/14/353269014.db2.gz URXRNZAQWUJQEF-AVGNSLFASA-N 2 2 224.392 2.637 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC1(C)C ZINC000336780153 353567547 /nfs/dbraw/zinc/56/75/47/353567547.db2.gz QOSCBBHDGKERAH-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CCC1(C)C ZINC000336780153 353567549 /nfs/dbraw/zinc/56/75/49/353567549.db2.gz QOSCBBHDGKERAH-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CC[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000194289908 353648268 /nfs/dbraw/zinc/64/82/68/353648268.db2.gz ZKTHFJXUWZMKFD-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H](CC[NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000194289908 353648270 /nfs/dbraw/zinc/64/82/70/353648270.db2.gz ZKTHFJXUWZMKFD-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H](CC[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000194289874 353648377 /nfs/dbraw/zinc/64/83/77/353648377.db2.gz ZKTHFJXUWZMKFD-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@H](CC[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000194289874 353648380 /nfs/dbraw/zinc/64/83/80/353648380.db2.gz ZKTHFJXUWZMKFD-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[NH+]1CCC([N@H+](C)C/C=C(/C)Cl)CC1 ZINC000528395948 324220128 /nfs/dbraw/zinc/22/01/28/324220128.db2.gz MPLITCQGSLVUCV-XGICHPGQSA-N 2 2 244.810 2.935 20 0 BFADLP CCC[NH+]1CCC([N@@H+](C)C/C=C(/C)Cl)CC1 ZINC000528395948 324220133 /nfs/dbraw/zinc/22/01/33/324220133.db2.gz MPLITCQGSLVUCV-XGICHPGQSA-N 2 2 244.810 2.935 20 0 BFADLP CCC1CCC(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000344225201 354182564 /nfs/dbraw/zinc/18/25/64/354182564.db2.gz SCMOZWIALZEAPC-XSCHDIRWSA-N 2 2 238.419 2.743 20 0 BFADLP CCC1CCC(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000344225201 354182568 /nfs/dbraw/zinc/18/25/68/354182568.db2.gz SCMOZWIALZEAPC-XSCHDIRWSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449739448 202016742 /nfs/dbraw/zinc/01/67/42/202016742.db2.gz ALWIYCCZLJWROK-HOTGVXAUSA-N 2 2 244.382 2.958 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000344323674 354246857 /nfs/dbraw/zinc/24/68/57/354246857.db2.gz JFINMVZVCOHHPJ-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C1 ZINC000344323674 354246861 /nfs/dbraw/zinc/24/68/61/354246861.db2.gz JFINMVZVCOHHPJ-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000344373946 354255149 /nfs/dbraw/zinc/25/51/49/354255149.db2.gz COMORXCLFMBHLD-BARDWOONSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000344373946 354255150 /nfs/dbraw/zinc/25/51/50/354255150.db2.gz COMORXCLFMBHLD-BARDWOONSA-N 2 2 238.419 2.743 20 0 BFADLP CCn1c[nH+]cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000334598074 354232736 /nfs/dbraw/zinc/23/27/36/354232736.db2.gz UPDOALJTTYBOBQ-JSGCOSHPSA-N 2 2 233.359 2.668 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1 ZINC000344344410 354237525 /nfs/dbraw/zinc/23/75/25/354237525.db2.gz DLQBATZTZUODLG-CJNGLKHVSA-N 2 2 246.398 2.821 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000344344410 354237527 /nfs/dbraw/zinc/23/75/27/354237527.db2.gz DLQBATZTZUODLG-CJNGLKHVSA-N 2 2 246.398 2.821 20 0 BFADLP CC(C)CC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCC1 ZINC000344765863 354356711 /nfs/dbraw/zinc/35/67/11/354356711.db2.gz AQAJCLWPVAWLPI-UONOGXRCSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)CC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCC1 ZINC000344765863 354356713 /nfs/dbraw/zinc/35/67/13/354356713.db2.gz AQAJCLWPVAWLPI-UONOGXRCSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)CC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCC1 ZINC000344765866 354356875 /nfs/dbraw/zinc/35/68/75/354356875.db2.gz AQAJCLWPVAWLPI-ZIAGYGMSSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)CC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCC1 ZINC000344765866 354356877 /nfs/dbraw/zinc/35/68/77/354356877.db2.gz AQAJCLWPVAWLPI-ZIAGYGMSSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000344632917 354331295 /nfs/dbraw/zinc/33/12/95/354331295.db2.gz VGNHREOYDWUUKK-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000344632917 354331296 /nfs/dbraw/zinc/33/12/96/354331296.db2.gz VGNHREOYDWUUKK-MCIONIFRSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000344632916 354331537 /nfs/dbraw/zinc/33/15/37/354331537.db2.gz VGNHREOYDWUUKK-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000344632916 354331540 /nfs/dbraw/zinc/33/15/40/354331540.db2.gz VGNHREOYDWUUKK-HZSPNIEDSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC)CCCC2)C1 ZINC000344668348 354341606 /nfs/dbraw/zinc/34/16/06/354341606.db2.gz KKYBWQLUHVSVQQ-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CC2(CC)CCCC2)C1 ZINC000344668348 354341607 /nfs/dbraw/zinc/34/16/07/354341607.db2.gz KKYBWQLUHVSVQQ-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)(C)C1CC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000334644703 354402889 /nfs/dbraw/zinc/40/28/89/354402889.db2.gz FSBJBMWEBWIHNZ-MOENNCHZSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)(C)C1CC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000334644703 354402892 /nfs/dbraw/zinc/40/28/92/354402892.db2.gz FSBJBMWEBWIHNZ-MOENNCHZSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)c1ccc(CC[NH2+]C[C@@H](C)[NH+](C)C)cc1 ZINC000345332356 354641809 /nfs/dbraw/zinc/64/18/09/354641809.db2.gz UMTMCDGNOWNQFL-CQSZACIVSA-N 2 2 248.414 2.892 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000233892695 363409381 /nfs/dbraw/zinc/40/93/81/363409381.db2.gz XPEGMLRKIKJLKJ-GHMZBOCLSA-N 2 2 224.373 2.541 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000346550154 354984191 /nfs/dbraw/zinc/98/41/91/354984191.db2.gz CYHJTEOYEUPJQP-MBNYWOFBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000346550154 354984195 /nfs/dbraw/zinc/98/41/95/354984195.db2.gz CYHJTEOYEUPJQP-MBNYWOFBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346598075 354988697 /nfs/dbraw/zinc/98/86/97/354988697.db2.gz BIQXHPAJXOCXQB-ZFWWWQNUSA-N 2 2 244.382 2.606 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]C1(c2ccccc2)CCC1 ZINC000346598075 354988702 /nfs/dbraw/zinc/98/87/02/354988702.db2.gz BIQXHPAJXOCXQB-ZFWWWQNUSA-N 2 2 244.382 2.606 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000346616171 354994011 /nfs/dbraw/zinc/99/40/11/354994011.db2.gz ORPREYXPQKRYOH-YWPYICTPSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000346616171 354994012 /nfs/dbraw/zinc/99/40/12/354994012.db2.gz ORPREYXPQKRYOH-YWPYICTPSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000335200388 355034184 /nfs/dbraw/zinc/03/41/84/355034184.db2.gz YSUGWDNTGLJTAH-GXTWGEPZSA-N 2 2 241.338 2.549 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1csc(Cl)c1 ZINC000335182221 355080580 /nfs/dbraw/zinc/08/05/80/355080580.db2.gz SNGIUIXXAFARHY-WPRPVWTQSA-N 2 2 244.791 2.804 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccsc1 ZINC000335210095 355047526 /nfs/dbraw/zinc/04/75/26/355047526.db2.gz UPOWLQZQRDQOEH-ZYHUDNBSSA-N 2 2 247.367 2.610 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000346820501 355124923 /nfs/dbraw/zinc/12/49/23/355124923.db2.gz CNWZTQXGKMWXAI-HNNXBMFYSA-N 2 2 246.398 2.993 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000346820501 355124924 /nfs/dbraw/zinc/12/49/24/355124924.db2.gz CNWZTQXGKMWXAI-HNNXBMFYSA-N 2 2 246.398 2.993 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC23CCC(CC2)C3)C[N@@H+]1C1CC1 ZINC000346803053 355109453 /nfs/dbraw/zinc/10/94/53/355109453.db2.gz JIFLWJKSQZGZFE-REWIBIJMSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC23CCC(CC2)C3)C[N@H+]1C1CC1 ZINC000346803053 355109456 /nfs/dbraw/zinc/10/94/56/355109456.db2.gz JIFLWJKSQZGZFE-REWIBIJMSA-N 2 2 248.414 2.782 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000346819740 355124057 /nfs/dbraw/zinc/12/40/57/355124057.db2.gz DZXCSEMQAFRMMR-CYBMUJFWSA-N 2 2 224.392 2.768 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000346819740 355124059 /nfs/dbraw/zinc/12/40/59/355124059.db2.gz DZXCSEMQAFRMMR-CYBMUJFWSA-N 2 2 224.392 2.768 20 0 BFADLP CC(C)([NH3+])C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000346830793 355128387 /nfs/dbraw/zinc/12/83/87/355128387.db2.gz PDISFAHBOKMOFY-HNNXBMFYSA-N 2 2 246.398 2.821 20 0 BFADLP CC(C)([NH3+])C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000346830793 355128390 /nfs/dbraw/zinc/12/83/90/355128390.db2.gz PDISFAHBOKMOFY-HNNXBMFYSA-N 2 2 246.398 2.821 20 0 BFADLP CC(C)(C)CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000113500312 355232929 /nfs/dbraw/zinc/23/29/29/355232929.db2.gz IRAVLRZNNUYJGZ-AWEZNQCLSA-N 2 2 238.419 2.983 20 0 BFADLP CC(C)(C)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000113500312 355232930 /nfs/dbraw/zinc/23/29/30/355232930.db2.gz IRAVLRZNNUYJGZ-AWEZNQCLSA-N 2 2 238.419 2.983 20 0 BFADLP c1c2ccccc2sc1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414843628 191598788 /nfs/dbraw/zinc/59/87/88/191598788.db2.gz JVVIMZGPXLAZGE-LBPRGKRZSA-N 2 2 246.379 2.743 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000166602115 355715446 /nfs/dbraw/zinc/71/54/46/355715446.db2.gz CFRUAAJGYAUWDV-IHRRRGAJSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000166602115 355715449 /nfs/dbraw/zinc/71/54/49/355715449.db2.gz CFRUAAJGYAUWDV-IHRRRGAJSA-N 2 2 226.408 2.883 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+]CCC2CC2)[C@@H]1c1ccccc1 ZINC000352093128 134061612 /nfs/dbraw/zinc/06/16/12/134061612.db2.gz MTZWNKNOEUEHSI-HOTGVXAUSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+]CCC2CC2)[C@@H]1c1ccccc1 ZINC000352093128 134061613 /nfs/dbraw/zinc/06/16/13/134061613.db2.gz MTZWNKNOEUEHSI-HOTGVXAUSA-N 2 2 244.382 2.822 20 0 BFADLP CCCCC[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351471138 355996661 /nfs/dbraw/zinc/99/66/61/355996661.db2.gz HVTIXRWQZVNXMC-AWEZNQCLSA-N 2 2 234.343 2.725 20 0 BFADLP CCCCC[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000351471138 355996663 /nfs/dbraw/zinc/99/66/63/355996663.db2.gz HVTIXRWQZVNXMC-AWEZNQCLSA-N 2 2 234.343 2.725 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000336004322 535300536 /nfs/dbraw/zinc/30/05/36/535300536.db2.gz VGARJVPPBRPIFU-VXGBXAGGSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000336004322 535300538 /nfs/dbraw/zinc/30/05/38/535300538.db2.gz VGARJVPPBRPIFU-VXGBXAGGSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@](C[NH3+])([NH2+]Cc1sccc1Cl)C1CC1 ZINC000420292430 192202390 /nfs/dbraw/zinc/20/23/90/192202390.db2.gz PJZJKBUCOMTEBB-LLVKDONJSA-N 2 2 244.791 2.619 20 0 BFADLP C[C@]1(F)C[NH2+]CC[N@@H+](CCCC2CCCC2)C1 ZINC000420329988 192214380 /nfs/dbraw/zinc/21/43/80/192214380.db2.gz KRXPAQVVEKNMNN-AWEZNQCLSA-N 2 2 242.382 2.590 20 0 BFADLP CC(C)C[C@H]1CCCCC[N@@H+]1C[C@H](C)[NH3+] ZINC000420309420 192210736 /nfs/dbraw/zinc/21/07/36/192210736.db2.gz TVSBLTBLTWKOSP-QWHCGFSZSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)C[C@H]1CCCCC[N@H+]1C[C@H](C)[NH3+] ZINC000420309420 192210739 /nfs/dbraw/zinc/21/07/39/192210739.db2.gz TVSBLTBLTWKOSP-QWHCGFSZSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[N@H+](C[C@@H](C)[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000420316571 192212196 /nfs/dbraw/zinc/21/21/96/192212196.db2.gz MNXIXIPPPJKBOZ-CZUORRHYSA-N 2 2 246.398 2.603 20 0 BFADLP CCC[N@@H+](C[C@@H](C)[NH3+])[C@@H]1CCc2ccccc2C1 ZINC000420316571 192212198 /nfs/dbraw/zinc/21/21/98/192212198.db2.gz MNXIXIPPPJKBOZ-CZUORRHYSA-N 2 2 246.398 2.603 20 0 BFADLP C[C@H]([NH3+])C[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000420323397 192227707 /nfs/dbraw/zinc/22/77/07/192227707.db2.gz UCROCZNGJIFXTA-JTQLQIEISA-N 2 2 238.762 2.652 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000420323397 192227709 /nfs/dbraw/zinc/22/77/09/192227709.db2.gz UCROCZNGJIFXTA-JTQLQIEISA-N 2 2 238.762 2.652 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000580408906 358502066 /nfs/dbraw/zinc/50/20/66/358502066.db2.gz HNRGHLKJEASPRA-NSHDSACASA-N 2 2 242.313 2.572 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000420361912 192222822 /nfs/dbraw/zinc/22/28/22/192222822.db2.gz YRZXCPLRCKWELV-LKTVYLICSA-N 2 2 248.345 2.625 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1[C@H]1CCCc2ccc(F)cc21 ZINC000420361912 192222825 /nfs/dbraw/zinc/22/28/25/192222825.db2.gz YRZXCPLRCKWELV-LKTVYLICSA-N 2 2 248.345 2.625 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000352810971 356418881 /nfs/dbraw/zinc/41/88/81/356418881.db2.gz QSVNCWRPDQSYQA-UXOAXIEHSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000352810971 356418883 /nfs/dbraw/zinc/41/88/83/356418883.db2.gz QSVNCWRPDQSYQA-UXOAXIEHSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000420398873 192238308 /nfs/dbraw/zinc/23/83/08/192238308.db2.gz HDPBRBNUFUKOKJ-YUMQZZPRSA-N 2 2 247.169 2.991 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(F)cc1F ZINC000420412087 192239651 /nfs/dbraw/zinc/23/96/51/192239651.db2.gz SBLKKZKKPOFPAQ-RNCFNFMXSA-N 2 2 242.313 2.743 20 0 BFADLP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC[NH3+] ZINC000420416294 192240492 /nfs/dbraw/zinc/24/04/92/192240492.db2.gz VSFKLKUCQBMDPK-CQSZACIVSA-N 2 2 220.360 2.631 20 0 BFADLP CCc1ccccc1C[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420372749 192231058 /nfs/dbraw/zinc/23/10/58/192231058.db2.gz QOEIVKIRVYAOPP-HEHGZKQESA-N 2 2 246.398 2.725 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Cl)cc1Cl ZINC000420380465 192233575 /nfs/dbraw/zinc/23/35/75/192233575.db2.gz WTQCLAJMYJAXOK-JGVFFNPUSA-N 2 2 247.169 2.991 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000420380466 192233657 /nfs/dbraw/zinc/23/36/57/192233657.db2.gz WTQCLAJMYJAXOK-SFYZADRCSA-N 2 2 247.169 2.991 20 0 BFADLP c1cn(CCC[N@@H+]2CC[C@@H](C3CCCC3)C2)c[nH+]1 ZINC000420965941 192283044 /nfs/dbraw/zinc/28/30/44/192283044.db2.gz TYZCDJTUHXMGPM-OAHLLOKOSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@H+]2CC[C@@H](C3CCCC3)C2)c[nH+]1 ZINC000420965941 192283046 /nfs/dbraw/zinc/28/30/46/192283046.db2.gz TYZCDJTUHXMGPM-OAHLLOKOSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@@H+]2CC[C@H](C3CCCC3)C2)c[nH+]1 ZINC000420965940 192283270 /nfs/dbraw/zinc/28/32/70/192283270.db2.gz TYZCDJTUHXMGPM-HNNXBMFYSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@H+]2CC[C@H](C3CCCC3)C2)c[nH+]1 ZINC000420965940 192283272 /nfs/dbraw/zinc/28/32/72/192283272.db2.gz TYZCDJTUHXMGPM-HNNXBMFYSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000179460337 366260428 /nfs/dbraw/zinc/26/04/28/366260428.db2.gz QGEBZVNXJXRORQ-CYBMUJFWSA-N 2 2 241.338 2.502 20 0 BFADLP Cc1cc(C)c(C[N@H+]2[C@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000639618235 356535125 /nfs/dbraw/zinc/53/51/25/356535125.db2.gz GNZQREPLXLHCNY-TXEJJXNPSA-N 2 2 218.344 2.990 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2[C@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000639618235 356535127 /nfs/dbraw/zinc/53/51/27/356535127.db2.gz GNZQREPLXLHCNY-TXEJJXNPSA-N 2 2 218.344 2.990 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@H]1C ZINC000336194603 134125437 /nfs/dbraw/zinc/12/54/37/134125437.db2.gz RUMHDHZDWPXVOX-KGLIPLIRSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@H]1C ZINC000336194603 134125438 /nfs/dbraw/zinc/12/54/38/134125438.db2.gz RUMHDHZDWPXVOX-KGLIPLIRSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@H]1C ZINC000336194603 134125439 /nfs/dbraw/zinc/12/54/39/134125439.db2.gz RUMHDHZDWPXVOX-KGLIPLIRSA-N 2 2 224.392 2.734 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@H]1C ZINC000336194603 134125440 /nfs/dbraw/zinc/12/54/40/134125440.db2.gz RUMHDHZDWPXVOX-KGLIPLIRSA-N 2 2 224.392 2.734 20 0 BFADLP Cc1cc(C)c(C[N@H+]2C[C@H](C)[C@H]2C)c(C)[nH+]1 ZINC000639655107 356559629 /nfs/dbraw/zinc/55/96/29/356559629.db2.gz JBQGALKCSTVBGM-GXFFZTMASA-N 2 2 218.344 2.847 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2C[C@H](C)[C@H]2C)c(C)[nH+]1 ZINC000639655107 356559630 /nfs/dbraw/zinc/55/96/30/356559630.db2.gz JBQGALKCSTVBGM-GXFFZTMASA-N 2 2 218.344 2.847 20 0 BFADLP CC[N@H+](C)CC[NH2+]C1CC2(C1)CCCCC2 ZINC000421329363 192317452 /nfs/dbraw/zinc/31/74/52/192317452.db2.gz VJXUKNRAUWWCSI-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C1CC2(C1)CCCCC2 ZINC000421329363 192317455 /nfs/dbraw/zinc/31/74/55/192317455.db2.gz VJXUKNRAUWWCSI-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)C(C)(F)F ZINC000389467054 356681945 /nfs/dbraw/zinc/68/19/45/356681945.db2.gz LWWCNSVYKQFOLO-UTUOFQBUSA-N 2 2 248.361 2.931 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)C[C@@H]1C ZINC000450428081 202161436 /nfs/dbraw/zinc/16/14/36/202161436.db2.gz GUJXCPFCLFTFRS-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@H+]1CCCC[C@@H]1C[NH+]1C[C@H](C)C[C@@H]1C ZINC000450428081 202161439 /nfs/dbraw/zinc/16/14/39/202161439.db2.gz GUJXCPFCLFTFRS-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000450428081 202161442 /nfs/dbraw/zinc/16/14/42/202161442.db2.gz GUJXCPFCLFTFRS-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@@H]1C[N@H+]1C[C@H](C)C[C@@H]1C ZINC000450428081 202161445 /nfs/dbraw/zinc/16/14/45/202161445.db2.gz GUJXCPFCLFTFRS-QLFBSQMISA-N 2 2 238.419 2.980 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000389517901 356901563 /nfs/dbraw/zinc/90/15/63/356901563.db2.gz GKQMGRHDXNTSIM-PCKAHOCUSA-N 2 2 244.382 2.616 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000389517901 356901564 /nfs/dbraw/zinc/90/15/64/356901564.db2.gz GKQMGRHDXNTSIM-PCKAHOCUSA-N 2 2 244.382 2.616 20 0 BFADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000020126810 356997723 /nfs/dbraw/zinc/99/77/23/356997723.db2.gz VQQGKEQTWWEMRW-HNNXBMFYSA-N 2 2 232.371 2.823 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000423248680 192651606 /nfs/dbraw/zinc/65/16/06/192651606.db2.gz RYCPKPRSNBLUON-KGLIPLIRSA-N 2 2 220.360 2.711 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]CCCC3CC3)n2c1 ZINC000156973626 538806507 /nfs/dbraw/zinc/80/65/07/538806507.db2.gz DFVMPZQQFFPPJW-UHFFFAOYSA-N 2 2 243.354 2.923 20 0 BFADLP CCCC[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375268892 357175007 /nfs/dbraw/zinc/17/50/07/357175007.db2.gz OIQNKWBFUHJEMG-GFCCVEGCSA-N 2 2 235.375 2.888 20 0 BFADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccoc1 ZINC000582958520 357438279 /nfs/dbraw/zinc/43/82/79/357438279.db2.gz RPVZKKGGUWLOED-SMDDNHRTSA-N 2 2 236.359 2.838 20 0 BFADLP CCn1cc[nH+]c1CNc1cccc(C2CC2)[nH+]1 ZINC000582977265 357445130 /nfs/dbraw/zinc/44/51/30/357445130.db2.gz AIWMNQUVCAWNHP-UHFFFAOYSA-N 2 2 242.326 2.788 20 0 BFADLP CCC1(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC000545161205 325180944 /nfs/dbraw/zinc/18/09/44/325180944.db2.gz OWWBZJGBAHLIRD-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CCC1(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC000545161205 325180945 /nfs/dbraw/zinc/18/09/45/325180945.db2.gz OWWBZJGBAHLIRD-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CCCCC1 ZINC000545161206 325181441 /nfs/dbraw/zinc/18/14/41/325181441.db2.gz OWWBZJGBAHLIRD-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H](C(C)C)C1CC1)[NH+](C)C ZINC000131895365 325189652 /nfs/dbraw/zinc/18/96/52/325189652.db2.gz CNVQJDGLALVVTI-GJZGRUSLSA-N 2 2 240.435 2.987 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H](C)C2CCCCC2)n1C ZINC000583214975 357565037 /nfs/dbraw/zinc/56/50/37/357565037.db2.gz KVWUVDZRTALMJY-LLVKDONJSA-N 2 2 235.375 2.787 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000235299097 357852510 /nfs/dbraw/zinc/85/25/10/357852510.db2.gz BBAPTYKXBVACCK-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC000235376601 357859235 /nfs/dbraw/zinc/85/92/35/357859235.db2.gz UGKZIUHYEJAHTM-ZFWWWQNUSA-N 2 2 236.403 2.664 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000218765801 134259840 /nfs/dbraw/zinc/25/98/40/134259840.db2.gz NRUCPXGMVHELQQ-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000174317805 134280417 /nfs/dbraw/zinc/28/04/17/134280417.db2.gz KVTSSUHHMFCBBO-MCIONIFRSA-N 2 2 235.375 2.688 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC000235701674 358437187 /nfs/dbraw/zinc/43/71/87/358437187.db2.gz UGKZIUHYEJAHTM-UKRRQHHQSA-N 2 2 236.403 2.664 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c(C)c1 ZINC000044683789 358550955 /nfs/dbraw/zinc/55/09/55/358550955.db2.gz QCCAOCSQZDYHJX-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c(C)c1 ZINC000044683789 358550959 /nfs/dbraw/zinc/55/09/59/358550959.db2.gz QCCAOCSQZDYHJX-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044685262 358551943 /nfs/dbraw/zinc/55/19/43/358551943.db2.gz XCMPRLPCDSDVNQ-DZGCQCFKSA-N 2 2 244.382 2.616 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044685262 358551946 /nfs/dbraw/zinc/55/19/46/358551946.db2.gz XCMPRLPCDSDVNQ-DZGCQCFKSA-N 2 2 244.382 2.616 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CC2)C1)C1CCCCC1 ZINC000044686607 358552052 /nfs/dbraw/zinc/55/20/52/358552052.db2.gz RIYNHTRELFOTOR-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+](C2CC2)C1)C1CCCCC1 ZINC000044686607 358552054 /nfs/dbraw/zinc/55/20/54/358552054.db2.gz RIYNHTRELFOTOR-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP CC[N@@H+](Cc1cccs1)C[C@@H]([NH3+])CC(C)C ZINC000042488282 358524202 /nfs/dbraw/zinc/52/42/02/358524202.db2.gz VPVHJBXOFCOLSF-LBPRGKRZSA-N 2 2 240.416 2.943 20 0 BFADLP CC[N@H+](Cc1cccs1)C[C@@H]([NH3+])CC(C)C ZINC000042488282 358524206 /nfs/dbraw/zinc/52/42/06/358524206.db2.gz VPVHJBXOFCOLSF-LBPRGKRZSA-N 2 2 240.416 2.943 20 0 BFADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1(C)CC1 ZINC000130661372 358638094 /nfs/dbraw/zinc/63/80/94/358638094.db2.gz PFQRSVWSOZIWQX-GFCCVEGCSA-N 2 2 243.354 2.655 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000049328118 358682653 /nfs/dbraw/zinc/68/26/53/358682653.db2.gz AKMPGZLKQOQMJB-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@H](C)C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000133525567 358758176 /nfs/dbraw/zinc/75/81/76/358758176.db2.gz MICKKCZPHMKBCI-LBPRGKRZSA-N 2 2 231.343 2.513 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C1CCC(C)CC1 ZINC000053344984 358825495 /nfs/dbraw/zinc/82/54/95/358825495.db2.gz TWIJKBGMXIQCEG-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C1CCC(C)CC1 ZINC000053344984 358825499 /nfs/dbraw/zinc/82/54/99/358825499.db2.gz TWIJKBGMXIQCEG-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H](C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000053488018 358829627 /nfs/dbraw/zinc/82/96/27/358829627.db2.gz TXRFYGSFDQMSLI-UONOGXRCSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@H](C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000053488018 358829629 /nfs/dbraw/zinc/82/96/29/358829629.db2.gz TXRFYGSFDQMSLI-UONOGXRCSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000071107807 359071171 /nfs/dbraw/zinc/07/11/71/359071171.db2.gz FAPQRTXRYUJCPT-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683411 359061705 /nfs/dbraw/zinc/06/17/05/359061705.db2.gz NBULYTVYEHGGMA-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000070683411 359061709 /nfs/dbraw/zinc/06/17/09/359061709.db2.gz NBULYTVYEHGGMA-ZDUSSCGKSA-N 2 2 226.408 2.885 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000070682695 359061729 /nfs/dbraw/zinc/06/17/29/359061729.db2.gz URDVXJIDCVOOKC-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247143690 359196895 /nfs/dbraw/zinc/19/68/95/359196895.db2.gz SMKYOEKYVWCOKB-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000247143690 359196896 /nfs/dbraw/zinc/19/68/96/359196896.db2.gz SMKYOEKYVWCOKB-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000247040025 359188602 /nfs/dbraw/zinc/18/86/02/359188602.db2.gz MRPACSCVDUIIQG-XPKDYRNWSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000247040025 359188607 /nfs/dbraw/zinc/18/86/07/359188607.db2.gz MRPACSCVDUIIQG-XPKDYRNWSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C ZINC000247040992 359189983 /nfs/dbraw/zinc/18/99/83/359189983.db2.gz WCEFREBRNHVDMO-RFGFWPKPSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1C ZINC000247040992 359189989 /nfs/dbraw/zinc/18/99/89/359189989.db2.gz WCEFREBRNHVDMO-RFGFWPKPSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246931156 359195721 /nfs/dbraw/zinc/19/57/21/359195721.db2.gz YWOILYAFTROBOP-HUUCEWRRSA-N 2 2 236.403 2.664 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246931156 359195724 /nfs/dbraw/zinc/19/57/24/359195724.db2.gz YWOILYAFTROBOP-HUUCEWRRSA-N 2 2 236.403 2.664 20 0 BFADLP C[C@H]1CC[N@@H+](Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000247269817 359207782 /nfs/dbraw/zinc/20/77/82/359207782.db2.gz YBAFJDQYUXMOON-GXTWGEPZSA-N 2 2 245.326 2.559 20 0 BFADLP C[C@H]1CC[N@H+](CC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247325076 359212712 /nfs/dbraw/zinc/21/27/12/359212712.db2.gz IVLCTLWECZCFSO-DZGCQCFKSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1CC[N@@H+](CC2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247325076 359212717 /nfs/dbraw/zinc/21/27/17/359212717.db2.gz IVLCTLWECZCFSO-DZGCQCFKSA-N 2 2 247.386 2.956 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423406581 192746535 /nfs/dbraw/zinc/74/65/35/192746535.db2.gz UWHQDRHULHXSJT-SDDRHHMPSA-N 2 2 238.400 2.705 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)C(C)C ZINC000423514391 192800295 /nfs/dbraw/zinc/80/02/95/192800295.db2.gz WKXHIZCDWUOJMC-DOMZBBRYSA-N 2 2 234.387 2.883 20 0 BFADLP Cc1scc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1C ZINC000399815800 359654090 /nfs/dbraw/zinc/65/40/90/359654090.db2.gz PTOFQQWVGVQUQI-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP Cc1scc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1C ZINC000399815800 359654094 /nfs/dbraw/zinc/65/40/94/359654094.db2.gz PTOFQQWVGVQUQI-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000451113378 202353456 /nfs/dbraw/zinc/35/34/56/202353456.db2.gz JQKMTIMETMTRQW-CYBMUJFWSA-N 2 2 230.371 2.542 20 0 BFADLP CC[NH+](CC)CCC[N@H+]1CCC[C@@](C)(F)C1 ZINC000451113378 202353458 /nfs/dbraw/zinc/35/34/58/202353458.db2.gz JQKMTIMETMTRQW-CYBMUJFWSA-N 2 2 230.371 2.542 20 0 BFADLP CC[NH+](CC)CCC[N@@H+]1CCC[C@](C)(F)C1 ZINC000451113382 202354858 /nfs/dbraw/zinc/35/48/58/202354858.db2.gz JQKMTIMETMTRQW-ZDUSSCGKSA-N 2 2 230.371 2.542 20 0 BFADLP CC[NH+](CC)CCC[N@H+]1CCC[C@](C)(F)C1 ZINC000451113382 202354862 /nfs/dbraw/zinc/35/48/62/202354862.db2.gz JQKMTIMETMTRQW-ZDUSSCGKSA-N 2 2 230.371 2.542 20 0 BFADLP CCC1([NH2+]CC[NH+]2CCCCC2)CCCC1 ZINC000451276086 202394051 /nfs/dbraw/zinc/39/40/51/202394051.db2.gz NRZPHDHTYHCGAN-UHFFFAOYSA-N 2 2 224.392 2.785 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004105 360052263 /nfs/dbraw/zinc/05/22/63/360052263.db2.gz BNHHTUWRFQCYJL-UONOGXRCSA-N 2 2 249.402 2.721 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004105 360052269 /nfs/dbraw/zinc/05/22/69/360052269.db2.gz BNHHTUWRFQCYJL-UONOGXRCSA-N 2 2 249.402 2.721 20 0 BFADLP CC(C)(C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000092659292 360187954 /nfs/dbraw/zinc/18/79/54/360187954.db2.gz PRZLCNYUKKEIBE-UHFFFAOYSA-N 2 2 221.348 2.566 20 0 BFADLP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094079535 360295506 /nfs/dbraw/zinc/29/55/06/360295506.db2.gz HYZFFSUFJSEHOW-CABCVRRESA-N 2 2 232.371 2.725 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1F ZINC000094837651 360323196 /nfs/dbraw/zinc/32/31/96/360323196.db2.gz BQACOPYKWMCJOT-GFCCVEGCSA-N 2 2 247.317 2.681 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629393530 361042461 /nfs/dbraw/zinc/04/24/61/361042461.db2.gz BQBQRWQGFNABRT-DZGCQCFKSA-N 2 2 232.371 2.534 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccs1 ZINC000629523419 361120787 /nfs/dbraw/zinc/12/07/87/361120787.db2.gz DZMJUCMICFSZSF-OUAUKWLOSA-N 2 2 224.373 2.539 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1CC)c1ccccc1 ZINC000629525223 361125583 /nfs/dbraw/zinc/12/55/83/361125583.db2.gz YWDSRUAAWZYVCZ-QLFBSQMISA-N 2 2 232.371 2.868 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1ccc(C)s1 ZINC000629526188 361127446 /nfs/dbraw/zinc/12/74/46/361127446.db2.gz MRKXSHJPWLDGDK-GRYCIOLGSA-N 2 2 238.400 2.848 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1c2ccccc2C[C@@H]1C ZINC000629526413 361127586 /nfs/dbraw/zinc/12/75/86/361127586.db2.gz TUHYJBGSPNLVLZ-KSYCFECVSA-N 2 2 244.382 2.650 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(F)ccc32)C[NH2+]1 ZINC000629538618 361403841 /nfs/dbraw/zinc/40/38/41/361403841.db2.gz OTOKSIMOYIZZNV-DGFSRKRXSA-N 2 2 248.345 2.543 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540162 361414000 /nfs/dbraw/zinc/41/40/00/361414000.db2.gz UOZGGJBXKXTIDL-WOPDTQHZSA-N 2 2 238.400 2.848 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)CC2 ZINC000629540256 361414292 /nfs/dbraw/zinc/41/42/92/361414292.db2.gz VIZZFNVBYHNYNA-DUVNUKRYSA-N 2 2 244.382 2.712 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cs1 ZINC000629534814 361408209 /nfs/dbraw/zinc/40/82/09/361408209.db2.gz AZEMQTNNNKEZPF-XHVZSJERSA-N 2 2 238.400 2.848 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cs1 ZINC000629534811 361408724 /nfs/dbraw/zinc/40/87/24/361408724.db2.gz AZEMQTNNNKEZPF-SUZMYJTESA-N 2 2 238.400 2.848 20 0 BFADLP C[C@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534815 361408823 /nfs/dbraw/zinc/40/88/23/361408823.db2.gz AYBJBDWFUGOUMG-LMWOUKEDSA-N 2 2 244.382 2.650 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000629545772 361426865 /nfs/dbraw/zinc/42/68/65/361426865.db2.gz PNQDAGSGXBXDSJ-CYZMBNFOSA-N 2 2 248.395 2.564 20 0 BFADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccn1 ZINC000629547237 361430750 /nfs/dbraw/zinc/43/07/50/361430750.db2.gz IAHXNPSAIJHZBF-GZBFAFLISA-N 2 2 247.386 2.509 20 0 BFADLP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000629553352 361438593 /nfs/dbraw/zinc/43/85/93/361438593.db2.gz WUZDMELKQXRBIF-WQVCFCJDSA-N 2 2 244.382 2.823 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3F)C[NH2+]1 ZINC000629542212 361417766 /nfs/dbraw/zinc/41/77/66/361417766.db2.gz ZYONYYZCVDCNNY-UEKVPHQBSA-N 2 2 248.345 2.543 20 0 BFADLP CC[C@@H]1CC[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000430187836 201152181 /nfs/dbraw/zinc/15/21/81/201152181.db2.gz DGBPERVRKDDHGO-LLVKDONJSA-N 2 2 247.367 2.918 20 0 BFADLP CC[C@@H]1CC[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000430187836 201152182 /nfs/dbraw/zinc/15/21/82/201152182.db2.gz DGBPERVRKDDHGO-LLVKDONJSA-N 2 2 247.367 2.918 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000434762311 201239611 /nfs/dbraw/zinc/23/96/11/201239611.db2.gz AIOLAANDGOEUJJ-JHJVBQTASA-N 2 2 247.386 2.612 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000434785433 201240075 /nfs/dbraw/zinc/24/00/75/201240075.db2.gz OAVQJNIQDCHQDM-NFAWXSAZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000434785433 201240077 /nfs/dbraw/zinc/24/00/77/201240077.db2.gz OAVQJNIQDCHQDM-NFAWXSAZSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1[nH]cc(-c2ccc(C[NH+](C)C)c(F)c2)[nH+]1 ZINC000629708284 361643732 /nfs/dbraw/zinc/64/37/32/361643732.db2.gz DQTWBZIUOKNMAR-UHFFFAOYSA-N 2 2 233.290 2.586 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154524086 201280931 /nfs/dbraw/zinc/28/09/31/201280931.db2.gz IPDREJLNBUILEF-XJKSGUPXSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154524086 201280934 /nfs/dbraw/zinc/28/09/34/201280934.db2.gz IPDREJLNBUILEF-XJKSGUPXSA-N 2 2 246.398 2.994 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@H](C)C3)n2c1 ZINC000436412321 201324770 /nfs/dbraw/zinc/32/47/70/201324770.db2.gz RUCLWDOZEAUEFF-AAEUAGOBSA-N 2 2 243.354 2.921 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C[NH2+]1 ZINC000399041073 364749603 /nfs/dbraw/zinc/74/96/03/364749603.db2.gz QDJXVNSSMJWUPB-MFKMUULPSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccccc32)C[NH2+]1 ZINC000399064078 364762600 /nfs/dbraw/zinc/76/26/00/364762600.db2.gz AUXJYHUBPIRTGA-INWMFGNUSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000444012750 193033361 /nfs/dbraw/zinc/03/33/61/193033361.db2.gz WXUMSSKLPXHFLI-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000444012750 193033364 /nfs/dbraw/zinc/03/33/64/193033364.db2.gz WXUMSSKLPXHFLI-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC000444012752 193033455 /nfs/dbraw/zinc/03/34/55/193033455.db2.gz WXUMSSKLPXHFLI-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC(C)(C)C2)C1 ZINC000444012752 193033457 /nfs/dbraw/zinc/03/34/57/193033457.db2.gz WXUMSSKLPXHFLI-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000444000928 193033486 /nfs/dbraw/zinc/03/34/86/193033486.db2.gz AKNXABZJNXMOIX-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000444000928 193033487 /nfs/dbraw/zinc/03/34/87/193033487.db2.gz AKNXABZJNXMOIX-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000575600857 365333170 /nfs/dbraw/zinc/33/31/70/365333170.db2.gz QYWHWDUIZPMLTK-QWRGUYRKSA-N 2 2 235.375 2.681 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000575600857 365333174 /nfs/dbraw/zinc/33/31/74/365333174.db2.gz QYWHWDUIZPMLTK-QWRGUYRKSA-N 2 2 235.375 2.681 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000575978841 365432453 /nfs/dbraw/zinc/43/24/53/365432453.db2.gz UTTSSNHXQRZJOE-VNQPRFMTSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000575978841 365432460 /nfs/dbraw/zinc/43/24/60/365432460.db2.gz UTTSSNHXQRZJOE-VNQPRFMTSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000575978841 365432466 /nfs/dbraw/zinc/43/24/66/365432466.db2.gz UTTSSNHXQRZJOE-VNQPRFMTSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000575978841 365432472 /nfs/dbraw/zinc/43/24/72/365432472.db2.gz UTTSSNHXQRZJOE-VNQPRFMTSA-N 2 2 244.382 2.916 20 0 BFADLP CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)CC1 ZINC000182788077 366942490 /nfs/dbraw/zinc/94/24/90/366942490.db2.gz VSMRMOLPGLQUDR-AWEZNQCLSA-N 2 2 235.375 2.785 20 0 BFADLP CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)CC1 ZINC000182788077 366942494 /nfs/dbraw/zinc/94/24/94/366942494.db2.gz VSMRMOLPGLQUDR-AWEZNQCLSA-N 2 2 235.375 2.785 20 0 BFADLP C[C@@H]1CCC[C@@H]([N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000182682278 366930531 /nfs/dbraw/zinc/93/05/31/366930531.db2.gz TWWBGXSSRBKKQY-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CCC[C@@H]([N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000182682278 366930535 /nfs/dbraw/zinc/93/05/35/366930535.db2.gz TWWBGXSSRBKKQY-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CCC[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000182682242 366930870 /nfs/dbraw/zinc/93/08/70/366930870.db2.gz TWWBGXSSRBKKQY-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CCC[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000182682242 366930875 /nfs/dbraw/zinc/93/08/75/366930875.db2.gz TWWBGXSSRBKKQY-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@H+](CCCn1cc[nH+]c1)[C@H](C)C(C)C ZINC000182705215 366933807 /nfs/dbraw/zinc/93/38/07/366933807.db2.gz AQNOZIQZCIEWMA-CYBMUJFWSA-N 2 2 223.364 2.640 20 0 BFADLP CC[N@@H+](CCCn1cc[nH+]c1)[C@H](C)C(C)C ZINC000182705215 366933810 /nfs/dbraw/zinc/93/38/10/366933810.db2.gz AQNOZIQZCIEWMA-CYBMUJFWSA-N 2 2 223.364 2.640 20 0 BFADLP CC(C)c1ccc(CC[NH2+][C@@H](C)C[NH+](C)C)cc1 ZINC000581039470 367242877 /nfs/dbraw/zinc/24/28/77/367242877.db2.gz SKKZTKRUIHYENH-AWEZNQCLSA-N 2 2 248.414 2.892 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000380825851 367313984 /nfs/dbraw/zinc/31/39/84/367313984.db2.gz NNDSYSUGRQQBFK-NRUUGDAUSA-N 2 2 238.762 2.823 20 0 BFADLP C[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000380825851 367313991 /nfs/dbraw/zinc/31/39/91/367313991.db2.gz NNDSYSUGRQQBFK-NRUUGDAUSA-N 2 2 238.762 2.823 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1CCCCC1 ZINC000381367274 367388921 /nfs/dbraw/zinc/38/89/21/367388921.db2.gz HDGJAWBJSSFTTO-JSGCOSHPSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000383066050 367593105 /nfs/dbraw/zinc/59/31/05/367593105.db2.gz OTTVQXXTJOLVLQ-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000383066050 367593110 /nfs/dbraw/zinc/59/31/10/367593110.db2.gz OTTVQXXTJOLVLQ-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1F ZINC000384497707 367694288 /nfs/dbraw/zinc/69/42/88/367694288.db2.gz OFGQPHHHAQDPLY-GFCCVEGCSA-N 2 2 247.317 2.509 20 0 BFADLP Cc1[nH+]ccn1Cc1c(C)cc(C)[nH+]c1C ZINC000631011657 370879959 /nfs/dbraw/zinc/87/99/59/370879959.db2.gz AXCFQPUADNOADW-UHFFFAOYSA-N 2 2 215.300 2.560 20 0 BFADLP CCc1ccc(C[N@H+](C)C2(C[NH3+])CCC2)s1 ZINC000385167253 367803784 /nfs/dbraw/zinc/80/37/84/367803784.db2.gz KPGFJBTYFMLONV-UHFFFAOYSA-N 2 2 238.400 2.624 20 0 BFADLP CCc1ccc(C[N@@H+](C)C2(C[NH3+])CCC2)s1 ZINC000385167253 367803791 /nfs/dbraw/zinc/80/37/91/367803791.db2.gz KPGFJBTYFMLONV-UHFFFAOYSA-N 2 2 238.400 2.624 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(C)(C)C ZINC000385181736 367804574 /nfs/dbraw/zinc/80/45/74/367804574.db2.gz PGKOZAOSTLDMSZ-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(C)(C)C ZINC000385181736 367804581 /nfs/dbraw/zinc/80/45/81/367804581.db2.gz PGKOZAOSTLDMSZ-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP Cc1csc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000386053042 367904317 /nfs/dbraw/zinc/90/43/17/367904317.db2.gz VUZPWWDVOQCZQX-WCQYABFASA-N 2 2 238.400 2.677 20 0 BFADLP Cc1ccsc1C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000386560138 367992694 /nfs/dbraw/zinc/99/26/94/367992694.db2.gz IVWVLZMGSRLAOA-VXGBXAGGSA-N 2 2 238.400 2.677 20 0 BFADLP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000386579478 367997062 /nfs/dbraw/zinc/99/70/62/367997062.db2.gz OFVLDPJOMJVEGI-ZFWWWQNUSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1[nH+]c2ccccc2n1[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000168115350 368352163 /nfs/dbraw/zinc/35/21/63/368352163.db2.gz BJGOIXDGNKKASK-ITGUQSILSA-N 2 2 241.338 2.800 20 0 BFADLP CC(C)C[NH2+][C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000406095656 368635253 /nfs/dbraw/zinc/63/52/53/368635253.db2.gz FRAVQCYQMGZDNS-MRXNPFEDSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[NH2+][C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000406095656 368635256 /nfs/dbraw/zinc/63/52/56/368635256.db2.gz FRAVQCYQMGZDNS-MRXNPFEDSA-N 2 2 246.398 2.897 20 0 BFADLP CCCC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000090442033 368980875 /nfs/dbraw/zinc/98/08/75/368980875.db2.gz INOBOJCZMZYRSY-HNNXBMFYSA-N 2 2 232.371 2.651 20 0 BFADLP CCCC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000090442033 368980878 /nfs/dbraw/zinc/98/08/78/368980878.db2.gz INOBOJCZMZYRSY-HNNXBMFYSA-N 2 2 232.371 2.651 20 0 BFADLP Cc1scc(C[NH2+]C[C@@H]2CCC[N@H+]2C)c1C ZINC000399960133 368936719 /nfs/dbraw/zinc/93/67/19/368936719.db2.gz WRPQSONRWUBFBH-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP Cc1scc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)c1C ZINC000399960133 368936724 /nfs/dbraw/zinc/93/67/24/368936724.db2.gz WRPQSONRWUBFBH-ZDUSSCGKSA-N 2 2 238.400 2.549 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC=C(C)CC1 ZINC000309994332 326178786 /nfs/dbraw/zinc/17/87/86/326178786.db2.gz BSDZBONMWCMWKE-AWEZNQCLSA-N 2 2 224.392 2.807 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC=C(C)CC1 ZINC000309994332 326178790 /nfs/dbraw/zinc/17/87/90/326178790.db2.gz BSDZBONMWCMWKE-AWEZNQCLSA-N 2 2 224.392 2.807 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000156707268 326240543 /nfs/dbraw/zinc/24/05/43/326240543.db2.gz BIBOMCUWNJTERV-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000156707268 326240545 /nfs/dbraw/zinc/24/05/45/326240545.db2.gz BIBOMCUWNJTERV-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP Cn1c[nH+]cc1CC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000459406643 203275424 /nfs/dbraw/zinc/27/54/24/203275424.db2.gz UYGOJFLDSJVPCR-UHFFFAOYSA-N 2 2 249.402 2.721 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459660331 203330026 /nfs/dbraw/zinc/33/00/26/203330026.db2.gz KYVBFWXFRVHMKN-DZGCQCFKSA-N 2 2 247.386 2.545 20 0 BFADLP C[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@@H]1CCCC[C@H]1C ZINC000459664113 203332561 /nfs/dbraw/zinc/33/25/61/203332561.db2.gz PMWOFIMYJBCHPR-UMVBOHGHSA-N 2 2 249.402 2.767 20 0 BFADLP C[C@@H](CCC1CCCC1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459667089 203334022 /nfs/dbraw/zinc/33/40/22/203334022.db2.gz RWEZLJFQQTWLET-ZDUSSCGKSA-N 2 2 249.402 2.911 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661584 203332969 /nfs/dbraw/zinc/33/29/69/203332969.db2.gz MNXJWSGWQUYTHG-CYBMUJFWSA-N 2 2 235.375 2.687 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]CC[C@@H]1CC=CCC1)CCC2 ZINC000623698397 369505054 /nfs/dbraw/zinc/50/50/54/369505054.db2.gz DGSLTBCFUBJXIJ-CYBMUJFWSA-N 2 2 245.370 2.665 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000165268449 203382344 /nfs/dbraw/zinc/38/23/44/203382344.db2.gz WAWLJSMHZHJYSU-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000165268449 203382348 /nfs/dbraw/zinc/38/23/48/203382348.db2.gz WAWLJSMHZHJYSU-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CCCc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000620125026 369740740 /nfs/dbraw/zinc/74/07/40/369740740.db2.gz IHISQBGMEOGNNR-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1ccc(C[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000620125026 369740745 /nfs/dbraw/zinc/74/07/45/369740745.db2.gz IHISQBGMEOGNNR-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000251712677 369908976 /nfs/dbraw/zinc/90/89/76/369908976.db2.gz JPXGYGKQLIGVKS-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000251712677 369908983 /nfs/dbraw/zinc/90/89/83/369908983.db2.gz JPXGYGKQLIGVKS-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]CC3CC(C)C3)n2c1 ZINC000621383873 370326824 /nfs/dbraw/zinc/32/68/24/370326824.db2.gz UYTJLLCZSHLBPH-UHFFFAOYSA-N 2 2 243.354 2.778 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621777846 370526782 /nfs/dbraw/zinc/52/67/82/370526782.db2.gz HVOZWWNRNNPQQT-KYOSRNDESA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621777846 370526786 /nfs/dbraw/zinc/52/67/86/370526786.db2.gz HVOZWWNRNNPQQT-KYOSRNDESA-N 2 2 248.345 2.700 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c(F)c1 ZINC000631041949 371002908 /nfs/dbraw/zinc/00/29/08/371002908.db2.gz VCCUMPFVGNATRE-GFCCVEGCSA-N 2 2 247.317 2.509 20 0 BFADLP C/C=C/C[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000389881024 371179538 /nfs/dbraw/zinc/17/95/38/371179538.db2.gz ZFMBIPQVUHCMJE-YMBFEGSUSA-N 2 2 244.382 2.673 20 0 BFADLP C/C=C/C[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000389881024 371179540 /nfs/dbraw/zinc/17/95/40/371179540.db2.gz ZFMBIPQVUHCMJE-YMBFEGSUSA-N 2 2 244.382 2.673 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+](C)C)c1cc(C)ccc1C ZINC000623983779 371217436 /nfs/dbraw/zinc/21/74/36/371217436.db2.gz LSURFMMOWDHFKX-OAHLLOKOSA-N 2 2 234.387 2.906 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000624101296 371308375 /nfs/dbraw/zinc/30/83/75/371308375.db2.gz YVDRNQMNERSSCH-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000624101296 371308380 /nfs/dbraw/zinc/30/83/80/371308380.db2.gz YVDRNQMNERSSCH-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000163815954 372061101 /nfs/dbraw/zinc/06/11/01/372061101.db2.gz FKPOPFQTWVTDJD-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1[nH+]cc(C[NH2+]Cc2csc(C)c2C)n1C ZINC000631207977 372237171 /nfs/dbraw/zinc/23/71/71/372237171.db2.gz YIWJNPHRPQDUHU-UHFFFAOYSA-N 2 2 249.383 2.697 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccccc2C)n1C ZINC000631248566 372259109 /nfs/dbraw/zinc/25/91/09/372259109.db2.gz RPZMYGVBRBXVPR-GFCCVEGCSA-N 2 2 243.354 2.888 20 0 BFADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000631859417 372657766 /nfs/dbraw/zinc/65/77/66/372657766.db2.gz NYDRPGLMTVCKBH-LRDDRELGSA-N 2 2 240.350 2.761 20 0 BFADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000631859417 372657770 /nfs/dbraw/zinc/65/77/70/372657770.db2.gz NYDRPGLMTVCKBH-LRDDRELGSA-N 2 2 240.350 2.761 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2)C[C@@H]1[NH3+] ZINC000662275429 487528123 /nfs/dbraw/zinc/52/81/23/487528123.db2.gz AFDJNUJGSJNQML-DOMZBBRYSA-N 2 2 246.398 2.763 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)c(F)c1 ZINC000383407445 374285642 /nfs/dbraw/zinc/28/56/42/374285642.db2.gz RYXFTYVDPCTKON-LBPRGKRZSA-N 2 2 238.350 2.564 20 0 BFADLP C[N@H+](Cc1cccc2[nH+]ccn21)[C@H]1CC1(C)C ZINC000426555448 206051624 /nfs/dbraw/zinc/05/16/24/206051624.db2.gz LEUWHEDRZWJJFO-LBPRGKRZSA-N 2 2 229.327 2.565 20 0 BFADLP C[N@@H+](Cc1cccc2[nH+]ccn21)[C@H]1CC1(C)C ZINC000426555448 206051628 /nfs/dbraw/zinc/05/16/28/206051628.db2.gz LEUWHEDRZWJJFO-LBPRGKRZSA-N 2 2 229.327 2.565 20 0 BFADLP C([NH2+]C1CC2(CCC2)C1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000459498520 206130478 /nfs/dbraw/zinc/13/04/78/206130478.db2.gz BAZHDMKNCLHTPI-HNNXBMFYSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+]C1CC2(CCC2)C1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000459498520 206130481 /nfs/dbraw/zinc/13/04/81/206130481.db2.gz BAZHDMKNCLHTPI-HNNXBMFYSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+]C1CC2(CCC2)C1)[C@H]1CCCC[N@@H+]1C1CC1 ZINC000459498522 206132195 /nfs/dbraw/zinc/13/21/95/206132195.db2.gz BAZHDMKNCLHTPI-OAHLLOKOSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+]C1CC2(CCC2)C1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000459498522 206132199 /nfs/dbraw/zinc/13/21/99/206132199.db2.gz BAZHDMKNCLHTPI-OAHLLOKOSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2)C[C@@H]1[NH3+] ZINC000662275429 487528128 /nfs/dbraw/zinc/52/81/28/487528128.db2.gz AFDJNUJGSJNQML-DOMZBBRYSA-N 2 2 246.398 2.763 20 0 BFADLP CCC[N@H+](CC)C[C@@H](C)Nc1cccc(C)[nH+]1 ZINC000357775378 169125637 /nfs/dbraw/zinc/12/56/37/169125637.db2.gz PFQIAQNDYNLYGI-CYBMUJFWSA-N 2 2 235.375 2.922 20 0 BFADLP CCC[N@@H+](CC)C[C@@H](C)Nc1cccc(C)[nH+]1 ZINC000357775378 169125640 /nfs/dbraw/zinc/12/56/40/169125640.db2.gz PFQIAQNDYNLYGI-CYBMUJFWSA-N 2 2 235.375 2.922 20 0 BFADLP CCC[N@@H+](Cc1cccc2[nH+]ccn21)CC1CC1 ZINC000183371523 169177798 /nfs/dbraw/zinc/17/77/98/169177798.db2.gz ICJKWKKGAITWQH-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP CCC[N@H+](Cc1cccc2[nH+]ccn21)CC1CC1 ZINC000183371523 169177800 /nfs/dbraw/zinc/17/78/00/169177800.db2.gz ICJKWKKGAITWQH-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C)o1 ZINC000290323633 169155213 /nfs/dbraw/zinc/15/52/13/169155213.db2.gz DFENUJSITXWIBQ-UHFFFAOYSA-N 2 2 238.375 2.752 20 0 BFADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)o1 ZINC000290323633 169155214 /nfs/dbraw/zinc/15/52/14/169155214.db2.gz DFENUJSITXWIBQ-UHFFFAOYSA-N 2 2 238.375 2.752 20 0 BFADLP c1cn2c(cccc2C[NH+]2CCCCCC2)[nH+]1 ZINC000183451976 183340539 /nfs/dbraw/zinc/34/05/39/183340539.db2.gz ALOJBKSNUDLHCK-UHFFFAOYSA-N 2 2 229.327 2.710 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1coc2ccccc12 ZINC000228717016 169258988 /nfs/dbraw/zinc/25/89/88/169258988.db2.gz MLARCSIEWSENHT-UHFFFAOYSA-N 2 2 232.327 2.522 20 0 BFADLP CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337254043 169367298 /nfs/dbraw/zinc/36/72/98/169367298.db2.gz QGOWOISPTXTKPD-TZMCWYRMSA-N 2 2 234.343 2.723 20 0 BFADLP CCC[C@@H](C)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000337254043 169367299 /nfs/dbraw/zinc/36/72/99/169367299.db2.gz QGOWOISPTXTKPD-TZMCWYRMSA-N 2 2 234.343 2.723 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000370680919 169370335 /nfs/dbraw/zinc/37/03/35/169370335.db2.gz BOYAWACMWZGYTM-DGCLKSJQSA-N 2 2 235.375 2.847 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000362231933 169358090 /nfs/dbraw/zinc/35/80/90/169358090.db2.gz AGLYGZOGAWNUKY-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000362231933 169358091 /nfs/dbraw/zinc/35/80/91/169358091.db2.gz AGLYGZOGAWNUKY-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@@H](C)C[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000362231933 169358092 /nfs/dbraw/zinc/35/80/92/169358092.db2.gz AGLYGZOGAWNUKY-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@@H](C)C[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000362231933 169358093 /nfs/dbraw/zinc/35/80/93/169358093.db2.gz AGLYGZOGAWNUKY-KGLIPLIRSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@H]1CCCC[N@@H+]1C[C@@H]([NH3+])CC(C)C ZINC000222022803 134329423 /nfs/dbraw/zinc/32/94/23/134329423.db2.gz DHQOCCXTTLHPIS-STQMWFEESA-N 2 2 212.381 2.624 20 0 BFADLP CC[C@H]1CCCC[N@H+]1C[C@@H]([NH3+])CC(C)C ZINC000222022803 134329424 /nfs/dbraw/zinc/32/94/24/134329424.db2.gz DHQOCCXTTLHPIS-STQMWFEESA-N 2 2 212.381 2.624 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000469839142 532969915 /nfs/dbraw/zinc/96/99/15/532969915.db2.gz SBXBTOKGKHLWKU-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000469839142 532969921 /nfs/dbraw/zinc/96/99/21/532969921.db2.gz SBXBTOKGKHLWKU-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000036960145 383920911 /nfs/dbraw/zinc/92/09/11/383920911.db2.gz BHCBFDWXYCSRRI-RLAWYHOSSA-N 2 2 248.370 2.864 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000036960145 383920916 /nfs/dbraw/zinc/92/09/16/383920916.db2.gz BHCBFDWXYCSRRI-RLAWYHOSSA-N 2 2 248.370 2.864 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)s1 ZINC000037157647 383948634 /nfs/dbraw/zinc/94/86/34/383948634.db2.gz SWASROPYHNWVGB-CMPLNLGQSA-N 2 2 249.383 2.992 20 0 BFADLP CCCC[NH+]1CCC([NH2+]Cc2ccco2)CC1 ZINC000037150058 383949528 /nfs/dbraw/zinc/94/95/28/383949528.db2.gz XWPSFRICHRNTGC-UHFFFAOYSA-N 2 2 236.359 2.634 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccccc1F ZINC000020506274 384035765 /nfs/dbraw/zinc/03/57/65/384035765.db2.gz MHHLYLOQTLTWJE-LBPRGKRZSA-N 2 2 247.317 2.763 20 0 BFADLP c1cn(CCCC[NH2+][C@H]2CCC23CCCC3)c[nH+]1 ZINC000530492274 384150954 /nfs/dbraw/zinc/15/09/54/384150954.db2.gz JBPIRJLCGIOSFJ-AWEZNQCLSA-N 2 2 247.386 2.976 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCC23CCCC3)c1 ZINC000313250858 384154439 /nfs/dbraw/zinc/15/44/39/384154439.db2.gz DHQVTXHZQAFCBI-AWEZNQCLSA-N 2 2 247.386 2.665 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000469839145 533038823 /nfs/dbraw/zinc/03/88/23/533038823.db2.gz SBXBTOKGKHLWKU-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](C[C@@H](C)CC2CCCCC2)C1 ZINC000469839145 533038829 /nfs/dbraw/zinc/03/88/29/533038829.db2.gz SBXBTOKGKHLWKU-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP c1cn(CC[NH2+][C@H]2CCCc3ccccc32)c[nH+]1 ZINC000041063992 384175014 /nfs/dbraw/zinc/17/50/14/384175014.db2.gz BZNDJILNWRRFKE-HNNXBMFYSA-N 2 2 241.338 2.550 20 0 BFADLP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000050227693 384170130 /nfs/dbraw/zinc/17/01/30/384170130.db2.gz RNMQEHRVYYTTPZ-QWHCGFSZSA-N 2 2 238.762 2.824 20 0 BFADLP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000050227693 384170134 /nfs/dbraw/zinc/17/01/34/384170134.db2.gz RNMQEHRVYYTTPZ-QWHCGFSZSA-N 2 2 238.762 2.824 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1 ZINC000041119106 384177140 /nfs/dbraw/zinc/17/71/40/384177140.db2.gz LBFNZBXAKDYMSX-ZDUSSCGKSA-N 2 2 229.327 2.542 20 0 BFADLP Cn1c[nH+]c(CC[NH2+]CCC2CCCCC2)c1 ZINC000313295563 384237426 /nfs/dbraw/zinc/23/74/26/384237426.db2.gz KJNUFGHZXRWGFO-UHFFFAOYSA-N 2 2 235.375 2.523 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313277327 384212685 /nfs/dbraw/zinc/21/26/85/384212685.db2.gz ZZFRWHJOSGNAEB-JSGCOSHPSA-N 2 2 235.375 2.521 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313277329 384214326 /nfs/dbraw/zinc/21/43/26/384214326.db2.gz ZZFRWHJOSGNAEB-TZMCWYRMSA-N 2 2 235.375 2.521 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597288 384250580 /nfs/dbraw/zinc/25/05/80/384250580.db2.gz VAORVGXHADKYIP-CQSZACIVSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)o1 ZINC000093597288 384250585 /nfs/dbraw/zinc/25/05/85/384250585.db2.gz VAORVGXHADKYIP-CQSZACIVSA-N 2 2 248.370 2.506 20 0 BFADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccsc2)CC[N@@H+]1C ZINC000093644967 384254127 /nfs/dbraw/zinc/25/41/27/384254127.db2.gz RFBBULSTKVYMJQ-DGCLKSJQSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccsc2)CC[N@H+]1C ZINC000093644967 384254134 /nfs/dbraw/zinc/25/41/34/384254134.db2.gz RFBBULSTKVYMJQ-DGCLKSJQSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccsc2)CC[NH+]1C ZINC000093644967 384254139 /nfs/dbraw/zinc/25/41/39/384254139.db2.gz RFBBULSTKVYMJQ-DGCLKSJQSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccsc2)CC[NH+]1C ZINC000093644967 384254147 /nfs/dbraw/zinc/25/41/47/384254147.db2.gz RFBBULSTKVYMJQ-DGCLKSJQSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccs2)CC[N@@H+]1C ZINC000093644033 384254846 /nfs/dbraw/zinc/25/48/46/384254846.db2.gz BWRVLUXBEQEZSV-VXGBXAGGSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@H]([NH+](C)Cc2cccs2)CC[N@H+]1C ZINC000093644033 384254850 /nfs/dbraw/zinc/25/48/50/384254850.db2.gz BWRVLUXBEQEZSV-VXGBXAGGSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cccs2)CC[NH+]1C ZINC000093644033 384254855 /nfs/dbraw/zinc/25/48/55/384254855.db2.gz BWRVLUXBEQEZSV-VXGBXAGGSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccs2)CC[NH+]1C ZINC000093644033 384254859 /nfs/dbraw/zinc/25/48/59/384254859.db2.gz BWRVLUXBEQEZSV-VXGBXAGGSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000133187106 384277799 /nfs/dbraw/zinc/27/77/99/384277799.db2.gz OWDAMUQWPQZELS-OCCSQVGLSA-N 2 2 241.338 2.618 20 0 BFADLP Cc1ccc(NC2CC[NH+](C(C)C)CC2)c(C)[nH+]1 ZINC000094664582 384311213 /nfs/dbraw/zinc/31/12/13/384311213.db2.gz YZJWRUGIBWCHOQ-UHFFFAOYSA-N 2 2 247.386 2.983 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+]C3CCCC3)cn21 ZINC000647262747 384319268 /nfs/dbraw/zinc/31/92/68/384319268.db2.gz NYVLWLNGIRPKGY-UHFFFAOYSA-N 2 2 243.354 2.717 20 0 BFADLP CC1(C)[C@H]([NH2+]Cc2ccsc2Cl)C[C@@H]1[NH3+] ZINC000405466499 384361069 /nfs/dbraw/zinc/36/10/69/384361069.db2.gz JXMWLZNKRYQIIV-DTWKUNHWSA-N 2 2 244.791 2.617 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@H]2CCC[C@@H]2C2CC2)n1C ZINC000584243237 384327730 /nfs/dbraw/zinc/32/77/30/384327730.db2.gz UONUECUOKIZRCY-UKRRQHHQSA-N 2 2 247.386 2.644 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000230986807 259650580 /nfs/dbraw/zinc/65/05/80/259650580.db2.gz UHMOFIHKDHPPSA-HUUCEWRRSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)CCC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000165141699 384386118 /nfs/dbraw/zinc/38/61/18/384386118.db2.gz URAGCPYGTUHJFJ-UHFFFAOYSA-N 2 2 234.387 2.884 20 0 BFADLP CC(C)CCC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000165141699 384386123 /nfs/dbraw/zinc/38/61/23/384386123.db2.gz URAGCPYGTUHJFJ-UHFFFAOYSA-N 2 2 234.387 2.884 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000300143430 384471302 /nfs/dbraw/zinc/47/13/02/384471302.db2.gz WIZUZYMUHQKRPI-JHJVBQTASA-N 2 2 235.375 2.686 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CC1 ZINC000448022845 384473683 /nfs/dbraw/zinc/47/36/83/384473683.db2.gz QDVZQAMMMSURLH-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CC1 ZINC000448022845 384473687 /nfs/dbraw/zinc/47/36/87/384473687.db2.gz QDVZQAMMMSURLH-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1(C)CC1 ZINC000448026949 384508625 /nfs/dbraw/zinc/50/86/25/384508625.db2.gz KRBYHJDFVSXHFF-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1(C)CC1 ZINC000448026949 384508631 /nfs/dbraw/zinc/50/86/31/384508631.db2.gz KRBYHJDFVSXHFF-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1(C)CC1 ZINC000448026952 384510105 /nfs/dbraw/zinc/51/01/05/384510105.db2.gz KRBYHJDFVSXHFF-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1(C)CC1 ZINC000448026952 384510110 /nfs/dbraw/zinc/51/01/10/384510110.db2.gz KRBYHJDFVSXHFF-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H]1CC1(C)C ZINC000397567022 384489796 /nfs/dbraw/zinc/48/97/96/384489796.db2.gz BEVPLPLGLJEVRW-ZIAGYGMSSA-N 2 2 249.402 2.767 20 0 BFADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[N@H+](C)C1CC1 ZINC000647180636 384543037 /nfs/dbraw/zinc/54/30/37/384543037.db2.gz MHEBVJXWDNLXKC-JTQLQIEISA-N 2 2 246.345 2.637 20 0 BFADLP C[C@@H](C[NH2+]C1CCC(F)(F)CC1)[N@@H+](C)C1CC1 ZINC000647180636 384543046 /nfs/dbraw/zinc/54/30/46/384543046.db2.gz MHEBVJXWDNLXKC-JTQLQIEISA-N 2 2 246.345 2.637 20 0 BFADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccccc1F ZINC000019905901 384557398 /nfs/dbraw/zinc/55/73/98/384557398.db2.gz FCAGMCCJOFSCCG-UHFFFAOYSA-N 2 2 238.350 2.503 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC(C)(C)C2)CCC[N@@H+]1C ZINC000309743781 384576415 /nfs/dbraw/zinc/57/64/15/384576415.db2.gz FAGDNQBTBBBHTG-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCC(C)(C)C2)CCC[N@H+]1C ZINC000309743781 384576418 /nfs/dbraw/zinc/57/64/18/384576418.db2.gz FAGDNQBTBBBHTG-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccco1 ZINC000020128786 384581748 /nfs/dbraw/zinc/58/17/48/384581748.db2.gz VQUMJOOZWNJUPE-ZDUSSCGKSA-N 2 2 236.359 2.806 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1C(C)(C)C1(C)C)[NH+](C)C ZINC000309756093 384587223 /nfs/dbraw/zinc/58/72/23/384587223.db2.gz LOBMHWJKDAHVAW-QWRGUYRKSA-N 2 2 226.408 2.597 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000310037534 384589703 /nfs/dbraw/zinc/58/97/03/384589703.db2.gz VFPQSVAKYMDOBW-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2occc21 ZINC000123969496 384602529 /nfs/dbraw/zinc/60/25/29/384602529.db2.gz XGIOPJGYQBZFPH-AAEUAGOBSA-N 2 2 245.326 2.532 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000020360736 384612996 /nfs/dbraw/zinc/61/29/96/384612996.db2.gz HYMHLZZOXAUCEJ-LBPRGKRZSA-N 2 2 247.317 2.763 20 0 BFADLP CC[C@H]1CCC[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000310039329 384598933 /nfs/dbraw/zinc/59/89/33/384598933.db2.gz WXRQXTYKGDRCKW-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+](Cc2cc(Cl)cs2)C1 ZINC000086333517 384640127 /nfs/dbraw/zinc/64/01/27/384640127.db2.gz DEMJYBFHUMAWND-SECBINFHSA-N 2 2 244.791 2.572 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+](Cc2cc(Cl)cs2)C1 ZINC000086333517 384640132 /nfs/dbraw/zinc/64/01/32/384640132.db2.gz DEMJYBFHUMAWND-SECBINFHSA-N 2 2 244.791 2.572 20 0 BFADLP CSC[C@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000309837047 384660651 /nfs/dbraw/zinc/66/06/51/384660651.db2.gz BONQUPNFAPDTHW-LBPRGKRZSA-N 2 2 238.400 2.664 20 0 BFADLP Cc1ccc(CCC[NH2+]CC(C)(F)F)c[nH+]1 ZINC000556934464 384661423 /nfs/dbraw/zinc/66/14/23/384661423.db2.gz VXTZVUJEDKTPFT-UHFFFAOYSA-N 2 2 228.286 2.567 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C/C=C/c1ccccc1 ZINC000051790254 384685868 /nfs/dbraw/zinc/68/58/68/384685868.db2.gz WQULGBFPHNXRGL-GPAKFWEMSA-N 2 2 241.338 2.575 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@H]2c2ccsc2)c[nH+]1 ZINC000162828824 384691879 /nfs/dbraw/zinc/69/18/79/384691879.db2.gz AUCAVUHXFKAEOC-ZDUSSCGKSA-N 2 2 247.367 2.782 20 0 BFADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC1 ZINC000173613786 384696990 /nfs/dbraw/zinc/69/69/90/384696990.db2.gz WMDOZECNJAZFBK-UHFFFAOYSA-N 2 2 241.338 2.857 20 0 BFADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CCC1 ZINC000173613786 384696998 /nfs/dbraw/zinc/69/69/98/384696998.db2.gz WMDOZECNJAZFBK-UHFFFAOYSA-N 2 2 241.338 2.857 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C1CC(C)(C)C1 ZINC000336751096 384719244 /nfs/dbraw/zinc/71/92/44/384719244.db2.gz ZWTFSMSEYZBDLI-UHFFFAOYSA-N 2 2 218.344 2.711 20 0 BFADLP CCc1ccc(C(C)(C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000083477826 384775930 /nfs/dbraw/zinc/77/59/30/384775930.db2.gz BNVINYXUKOHMBQ-UHFFFAOYSA-N 2 2 243.354 2.997 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053343414 384745244 /nfs/dbraw/zinc/74/52/44/384745244.db2.gz TZFNSKXPKGVANY-LBPRGKRZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+]C(C1CC1)C1CC1 ZINC000053343414 384745254 /nfs/dbraw/zinc/74/52/54/384745254.db2.gz TZFNSKXPKGVANY-LBPRGKRZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CCCCCC2)C1 ZINC000053342176 384746262 /nfs/dbraw/zinc/74/62/62/384746262.db2.gz QFGXEVJVSMVZID-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CCCCCC2)C1 ZINC000053342176 384746267 /nfs/dbraw/zinc/74/62/67/384746267.db2.gz QFGXEVJVSMVZID-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP c1cc(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cs1 ZINC000647553942 384769099 /nfs/dbraw/zinc/76/90/99/384769099.db2.gz NPIDSEYPAKJJIO-GFCCVEGCSA-N 2 2 236.384 2.512 20 0 BFADLP Fc1ccccc1C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000647554042 384771513 /nfs/dbraw/zinc/77/15/13/384771513.db2.gz PQICNFORVREWMB-CQSZACIVSA-N 2 2 248.345 2.590 20 0 BFADLP c1[nH]c(C[NH2+][C@@H](c2ccccc2)C2CC2)c[nH+]1 ZINC000054764738 384849878 /nfs/dbraw/zinc/84/98/78/384849878.db2.gz SIJMKIQMMVTCEG-AWEZNQCLSA-N 2 2 227.311 2.651 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)o1 ZINC000175011477 384859159 /nfs/dbraw/zinc/85/91/59/384859159.db2.gz LDBPTZZUIWBCQC-OLZOCXBDSA-N 2 2 236.359 2.550 20 0 BFADLP C/C(Cl)=C\C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000528412438 384863136 /nfs/dbraw/zinc/86/31/36/384863136.db2.gz BWXYWYLYPNDGTG-NYYWCZLTSA-N 2 2 230.783 2.591 20 0 BFADLP c1ccc2cc(C[NH2+][C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000258976838 384954557 /nfs/dbraw/zinc/95/45/57/384954557.db2.gz LUMJYFBBPLHBNQ-MRXNPFEDSA-N 2 2 240.350 2.681 20 0 BFADLP CC(C)(C)CC[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439165 384955379 /nfs/dbraw/zinc/95/53/79/384955379.db2.gz RXSLVKFDZAMDAR-UHFFFAOYSA-N 2 2 235.375 2.745 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000151974160 384894898 /nfs/dbraw/zinc/89/48/98/384894898.db2.gz TZJMTALXLLIINY-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000151974160 384894903 /nfs/dbraw/zinc/89/49/03/384894903.db2.gz TZJMTALXLLIINY-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C(C)(C)C ZINC000367438814 384916941 /nfs/dbraw/zinc/91/69/41/384916941.db2.gz PJHRWMIZKLCLCV-LLVKDONJSA-N 2 2 235.375 2.744 20 0 BFADLP Cc1[nH+]ccn1CC[NH+]1CCC(C)(C(C)C)CC1 ZINC000426767964 384918917 /nfs/dbraw/zinc/91/89/17/384918917.db2.gz SNXKIXQABLETBY-UHFFFAOYSA-N 2 2 249.402 2.950 20 0 BFADLP C[NH2+]CC[N@H+](C)CCc1ccc(C(C)C)cc1 ZINC000258668368 384937241 /nfs/dbraw/zinc/93/72/41/384937241.db2.gz CJSCOHSVYFJNOX-UHFFFAOYSA-N 2 2 234.387 2.504 20 0 BFADLP C[NH2+]CC[N@@H+](C)CCc1ccc(C(C)C)cc1 ZINC000258668368 384937245 /nfs/dbraw/zinc/93/72/45/384937245.db2.gz CJSCOHSVYFJNOX-UHFFFAOYSA-N 2 2 234.387 2.504 20 0 BFADLP COc1cc(C)ccc1[NH2+][C@H](C)CCCC[NH3+] ZINC000310292251 384944687 /nfs/dbraw/zinc/94/46/87/384944687.db2.gz RVGSDXMRXOEPDD-GFCCVEGCSA-N 2 2 236.359 2.933 20 0 BFADLP CC[C@H]1CCC[C@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000368216355 385004011 /nfs/dbraw/zinc/00/40/11/385004011.db2.gz ROKPZSKFQAVRCM-KBPBESRZSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@H]1CCC[C@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000368216355 385004018 /nfs/dbraw/zinc/00/40/18/385004018.db2.gz ROKPZSKFQAVRCM-KBPBESRZSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC000130137377 385022799 /nfs/dbraw/zinc/02/27/99/385022799.db2.gz LGKKCBYKHBUZFA-AGIUHOORSA-N 2 2 214.397 2.741 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1nccs1 ZINC000129182504 385116833 /nfs/dbraw/zinc/11/68/33/385116833.db2.gz TUGRCZIIGUDLOZ-LLVKDONJSA-N 2 2 241.404 2.524 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1nccs1 ZINC000129182504 385116836 /nfs/dbraw/zinc/11/68/36/385116836.db2.gz TUGRCZIIGUDLOZ-LLVKDONJSA-N 2 2 241.404 2.524 20 0 BFADLP CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000165488788 385134254 /nfs/dbraw/zinc/13/42/54/385134254.db2.gz MIXKDAAGOVWLFK-NWDGAFQWSA-N 2 2 239.388 2.564 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000178080361 385182165 /nfs/dbraw/zinc/18/21/65/385182165.db2.gz YDTVCMIZNPVGPW-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000178080361 385182167 /nfs/dbraw/zinc/18/21/67/385182167.db2.gz YDTVCMIZNPVGPW-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000313017074 385160068 /nfs/dbraw/zinc/16/00/68/385160068.db2.gz PCYZMDBHVXWVJH-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000300967178 385217031 /nfs/dbraw/zinc/21/70/31/385217031.db2.gz RROYJHXXGYKFSF-QWHCGFSZSA-N 2 2 223.364 2.543 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000300997455 385226671 /nfs/dbraw/zinc/22/66/71/385226671.db2.gz WOCGNZABXLPEAN-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000300997455 385226675 /nfs/dbraw/zinc/22/66/75/385226675.db2.gz WOCGNZABXLPEAN-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP CCC(CC)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000130431042 385248393 /nfs/dbraw/zinc/24/83/93/385248393.db2.gz RPUXLOXBHMYTFJ-CQSZACIVSA-N 2 2 220.360 2.712 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)CCC(C)(C)C ZINC000308955834 385307500 /nfs/dbraw/zinc/30/75/00/385307500.db2.gz YLNVIVOELPOICO-GFCCVEGCSA-N 2 2 214.397 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)CCC(C)(C)C ZINC000308955834 385307505 /nfs/dbraw/zinc/30/75/05/385307505.db2.gz YLNVIVOELPOICO-GFCCVEGCSA-N 2 2 214.397 2.743 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130559440 385259687 /nfs/dbraw/zinc/25/96/87/385259687.db2.gz UVPIBLNDMKHORO-OLZOCXBDSA-N 2 2 245.370 2.901 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000154537757 385335501 /nfs/dbraw/zinc/33/55/01/385335501.db2.gz AEJDDXZYWXMMAP-LSDHHAIUSA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000154537757 385335504 /nfs/dbraw/zinc/33/55/04/385335504.db2.gz AEJDDXZYWXMMAP-LSDHHAIUSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC000154619155 385341766 /nfs/dbraw/zinc/34/17/66/385341766.db2.gz NXXFSNRNEGQUSR-SMDDNHRTSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC000154619155 385341770 /nfs/dbraw/zinc/34/17/70/385341770.db2.gz NXXFSNRNEGQUSR-SMDDNHRTSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)C1CCC1 ZINC000178343091 385356921 /nfs/dbraw/zinc/35/69/21/385356921.db2.gz DPTYFUSLQWDYFA-GFCCVEGCSA-N 2 2 233.359 2.662 20 0 BFADLP CCCc1[nH+]ccn1Cc1cc(OC)cc(C)[nH+]1 ZINC000168880175 385391742 /nfs/dbraw/zinc/39/17/42/385391742.db2.gz FBGGHGHDVFKKLQ-UHFFFAOYSA-N 2 2 245.326 2.596 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H](C)c1ccccc1 ZINC000155659708 385404243 /nfs/dbraw/zinc/40/42/43/385404243.db2.gz DLCPMZSALOSVQK-KGLIPLIRSA-N 2 2 243.354 2.665 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)[C@H]1CCCC[C@H]1C ZINC000449064895 385495578 /nfs/dbraw/zinc/49/55/78/385495578.db2.gz WUPUQWVGNOJVTD-MCIONIFRSA-N 2 2 235.375 2.688 20 0 BFADLP Cc1cc[nH+]c(N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000309240883 385496061 /nfs/dbraw/zinc/49/60/61/385496061.db2.gz MMWOMFOKKKYCKX-LBPRGKRZSA-N 2 2 221.348 2.531 20 0 BFADLP Cc1cc[nH+]c(N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000309240883 385496062 /nfs/dbraw/zinc/49/60/62/385496062.db2.gz MMWOMFOKKKYCKX-LBPRGKRZSA-N 2 2 221.348 2.531 20 0 BFADLP CC(C)CCC[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000302300115 385512826 /nfs/dbraw/zinc/51/28/26/385512826.db2.gz BIBUXIKUXGHORL-HOTGVXAUSA-N 2 2 246.398 2.849 20 0 BFADLP CC(C)CCC[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000302300115 385512828 /nfs/dbraw/zinc/51/28/28/385512828.db2.gz BIBUXIKUXGHORL-HOTGVXAUSA-N 2 2 246.398 2.849 20 0 BFADLP CCCCC[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302337877 385515534 /nfs/dbraw/zinc/51/55/34/385515534.db2.gz HBJPVCFOJXAPJW-CABCVRRESA-N 2 2 232.371 2.603 20 0 BFADLP CCCCC[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000302337877 385515538 /nfs/dbraw/zinc/51/55/38/385515538.db2.gz HBJPVCFOJXAPJW-CABCVRRESA-N 2 2 232.371 2.603 20 0 BFADLP CCCCC[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000302337880 385515636 /nfs/dbraw/zinc/51/56/36/385515636.db2.gz HBJPVCFOJXAPJW-LSDHHAIUSA-N 2 2 232.371 2.603 20 0 BFADLP CCCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000302337880 385515640 /nfs/dbraw/zinc/51/56/40/385515640.db2.gz HBJPVCFOJXAPJW-LSDHHAIUSA-N 2 2 232.371 2.603 20 0 BFADLP COc1cc(C)ccc1[NH2+][C@H](C)CCC[NH3+] ZINC000309474108 385602384 /nfs/dbraw/zinc/60/23/84/385602384.db2.gz UTSMVJQOKWKSNC-LLVKDONJSA-N 2 2 222.332 2.543 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000309440039 385583146 /nfs/dbraw/zinc/58/31/46/385583146.db2.gz IHMLDVDOKYKZBD-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000309440039 385583148 /nfs/dbraw/zinc/58/31/48/385583148.db2.gz IHMLDVDOKYKZBD-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C1CC2(C1)CC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000337379907 385621557 /nfs/dbraw/zinc/62/15/57/385621557.db2.gz CVRHPKUVJBAJEL-UKRRQHHQSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000337379907 385621564 /nfs/dbraw/zinc/62/15/64/385621564.db2.gz CVRHPKUVJBAJEL-UKRRQHHQSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC12CCC2 ZINC000337409903 385642774 /nfs/dbraw/zinc/64/27/74/385642774.db2.gz VMPMPIDIHMDBOS-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1ccc(C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182621081 385688115 /nfs/dbraw/zinc/68/81/15/385688115.db2.gz AZEWFJMSIBZFKY-UHFFFAOYSA-N 2 2 243.354 2.714 20 0 BFADLP Cc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000182621081 385688121 /nfs/dbraw/zinc/68/81/21/385688121.db2.gz AZEWFJMSIBZFKY-UHFFFAOYSA-N 2 2 243.354 2.714 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000336735299 385694382 /nfs/dbraw/zinc/69/43/82/385694382.db2.gz LPMPXQUHBBQQEX-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000336735299 385694390 /nfs/dbraw/zinc/69/43/90/385694390.db2.gz LPMPXQUHBBQQEX-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+](CCC[NH2+]C)Cc1ccc(Cl)s1 ZINC000309524372 385667910 /nfs/dbraw/zinc/66/79/10/385667910.db2.gz APACGTZPWGQCID-UHFFFAOYSA-N 2 2 246.807 2.833 20 0 BFADLP CC[N@@H+](CCC[NH2+]C)Cc1ccc(Cl)s1 ZINC000309524372 385667913 /nfs/dbraw/zinc/66/79/13/385667913.db2.gz APACGTZPWGQCID-UHFFFAOYSA-N 2 2 246.807 2.833 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC[NH+]1CCCCC1 ZINC000186230095 385750515 /nfs/dbraw/zinc/75/05/15/385750515.db2.gz MCQLLBLHSBUDRP-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)(C)C1=CC[N@H+](CCn2cc[nH+]c2)CC1 ZINC000270887889 385756356 /nfs/dbraw/zinc/75/63/56/385756356.db2.gz OKQZIXPDMODYJM-UHFFFAOYSA-N 2 2 233.359 2.561 20 0 BFADLP CC(C)(C)C1=CC[N@@H+](CCn2cc[nH+]c2)CC1 ZINC000270887889 385756358 /nfs/dbraw/zinc/75/63/58/385756358.db2.gz OKQZIXPDMODYJM-UHFFFAOYSA-N 2 2 233.359 2.561 20 0 BFADLP CCC[C@@H](CC)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000390766748 385721407 /nfs/dbraw/zinc/72/14/07/385721407.db2.gz RLLQBEQIHNPNCX-CQSZACIVSA-N 2 2 224.392 2.807 20 0 BFADLP CCC[C@@H](CC)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000390766748 385721412 /nfs/dbraw/zinc/72/14/12/385721412.db2.gz RLLQBEQIHNPNCX-CQSZACIVSA-N 2 2 224.392 2.807 20 0 BFADLP C[C@H]1[C@@H]([NH2+]C2CCCCCC2)CCC[N@@H+]1C ZINC000336735901 385721784 /nfs/dbraw/zinc/72/17/84/385721784.db2.gz IIAUTNXCKBWMCT-JSGCOSHPSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H]1[C@@H]([NH2+]C2CCCCCC2)CCC[N@H+]1C ZINC000336735901 385721788 /nfs/dbraw/zinc/72/17/88/385721788.db2.gz IIAUTNXCKBWMCT-JSGCOSHPSA-N 2 2 224.392 2.782 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000414952363 385826372 /nfs/dbraw/zinc/82/63/72/385826372.db2.gz KKWLCNITBANDJG-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000336738145 385835222 /nfs/dbraw/zinc/83/52/22/385835222.db2.gz KBPGYUYMIVHXDK-JHJVBQTASA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000336738145 385835226 /nfs/dbraw/zinc/83/52/26/385835226.db2.gz KBPGYUYMIVHXDK-JHJVBQTASA-N 2 2 226.408 2.741 20 0 BFADLP CCC1([NH2+]Cc2c[nH+]c3ccc(C)cn23)CC1 ZINC000294802444 385897022 /nfs/dbraw/zinc/89/70/22/385897022.db2.gz NAOKEOPCQYHIMO-UHFFFAOYSA-N 2 2 229.327 2.675 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414965532 385905158 /nfs/dbraw/zinc/90/51/58/385905158.db2.gz ZRXBSFMMGQRYJZ-LRDDRELGSA-N 2 2 244.382 2.652 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337984448 385867986 /nfs/dbraw/zinc/86/79/86/385867986.db2.gz BYVSGYRKDDVOLG-CABCVRRESA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337984448 385867989 /nfs/dbraw/zinc/86/79/89/385867989.db2.gz BYVSGYRKDDVOLG-CABCVRRESA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189105055 385927922 /nfs/dbraw/zinc/92/79/22/385927922.db2.gz TZCNZJONRRELSS-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189105055 385927928 /nfs/dbraw/zinc/92/79/28/385927928.db2.gz TZCNZJONRRELSS-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[N@H+](C)C1CC1 ZINC000337989867 385869979 /nfs/dbraw/zinc/86/99/79/385869979.db2.gz RMZKRYVPPOFZRF-UGFHNGPFSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C1CCC1)[N@@H+](C)C1CC1 ZINC000337989867 385869983 /nfs/dbraw/zinc/86/99/83/385869983.db2.gz RMZKRYVPPOFZRF-UGFHNGPFSA-N 2 2 236.403 2.637 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000337993450 385871089 /nfs/dbraw/zinc/87/10/89/385871089.db2.gz HNCJBUYNABQMJA-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000337993450 385871091 /nfs/dbraw/zinc/87/10/91/385871091.db2.gz HNCJBUYNABQMJA-CABCVRRESA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000337993452 385871478 /nfs/dbraw/zinc/87/14/78/385871478.db2.gz HNCJBUYNABQMJA-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000337993452 385871481 /nfs/dbraw/zinc/87/14/81/385871481.db2.gz HNCJBUYNABQMJA-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000337993454 385872222 /nfs/dbraw/zinc/87/22/22/385872222.db2.gz HNCJBUYNABQMJA-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C1CCC1)C1CC1 ZINC000337993454 385872225 /nfs/dbraw/zinc/87/22/25/385872225.db2.gz HNCJBUYNABQMJA-HUUCEWRRSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)CCC[N@@H+]1C ZINC000338015035 385880955 /nfs/dbraw/zinc/88/09/55/385880955.db2.gz VCMBZQNHKZQNNC-NMFUWQPSSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)CCC[N@H+]1C ZINC000338015035 385880957 /nfs/dbraw/zinc/88/09/57/385880957.db2.gz VCMBZQNHKZQNNC-NMFUWQPSSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)CCC[N@@H+]1C ZINC000338015034 385881367 /nfs/dbraw/zinc/88/13/67/385881367.db2.gz VCMBZQNHKZQNNC-NGFQHRJXSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)CCC[N@H+]1C ZINC000338015034 385881370 /nfs/dbraw/zinc/88/13/70/385881370.db2.gz VCMBZQNHKZQNNC-NGFQHRJXSA-N 2 2 236.403 2.637 20 0 BFADLP c1cn2c(cccc2C[NH2+]CC2=CCCCC2)[nH+]1 ZINC000295136201 385975757 /nfs/dbraw/zinc/97/57/57/385975757.db2.gz PGHFITVFTWHVLM-UHFFFAOYSA-N 2 2 241.338 2.924 20 0 BFADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)[C@H]1C[C@H]1C ZINC000414070249 385945201 /nfs/dbraw/zinc/94/52/01/385945201.db2.gz JRIZAUGZYSTCEY-RDBSUJKOSA-N 2 2 247.386 2.908 20 0 BFADLP CCCC[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285786920 385965324 /nfs/dbraw/zinc/96/53/24/385965324.db2.gz UMZRVUXABBOCFS-UHFFFAOYSA-N 2 2 238.375 2.833 20 0 BFADLP CCCC[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285786920 385965327 /nfs/dbraw/zinc/96/53/27/385965327.db2.gz UMZRVUXABBOCFS-UHFFFAOYSA-N 2 2 238.375 2.833 20 0 BFADLP CCCC[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285786920 385965334 /nfs/dbraw/zinc/96/53/34/385965334.db2.gz UMZRVUXABBOCFS-UHFFFAOYSA-N 2 2 238.375 2.833 20 0 BFADLP CCCC[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285786920 385965339 /nfs/dbraw/zinc/96/53/39/385965339.db2.gz UMZRVUXABBOCFS-UHFFFAOYSA-N 2 2 238.375 2.833 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414122305 385971318 /nfs/dbraw/zinc/97/13/18/385971318.db2.gz ILLZDQOQGKLPIE-GUTXKFCHSA-N 2 2 249.402 2.767 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414122308 385971413 /nfs/dbraw/zinc/97/14/13/385971413.db2.gz ILLZDQOQGKLPIE-GZBFAFLISA-N 2 2 249.402 2.767 20 0 BFADLP Cn1c[nH+]c(CC[NH2+][C@H](C2CC2)C2CCCC2)c1 ZINC000414124231 385972628 /nfs/dbraw/zinc/97/26/28/385972628.db2.gz KIOFGVCIQWLUCM-HNNXBMFYSA-N 2 2 247.386 2.521 20 0 BFADLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1C[C@H]1C ZINC000414116133 386008636 /nfs/dbraw/zinc/00/86/36/386008636.db2.gz QGAIJLKVZSMXIC-JHJVBQTASA-N 2 2 233.359 2.518 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)C1CCCC1 ZINC000336751361 386009002 /nfs/dbraw/zinc/00/90/02/386009002.db2.gz VDLUIUNBPKHJCD-OUCADQQQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC000336751361 386009007 /nfs/dbraw/zinc/00/90/07/386009007.db2.gz VDLUIUNBPKHJCD-OUCADQQQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000414170411 386015712 /nfs/dbraw/zinc/01/57/12/386015712.db2.gz BWQSSBJOWNFMDA-IUODEOHRSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000414170411 386015720 /nfs/dbraw/zinc/01/57/20/386015720.db2.gz BWQSSBJOWNFMDA-IUODEOHRSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414158222 386042341 /nfs/dbraw/zinc/04/23/41/386042341.db2.gz XOPLGQPGWZJYSS-YIYPIFLZSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414158222 386042346 /nfs/dbraw/zinc/04/23/46/386042346.db2.gz XOPLGQPGWZJYSS-YIYPIFLZSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414158221 386043461 /nfs/dbraw/zinc/04/34/61/386043461.db2.gz XOPLGQPGWZJYSS-RFGFWPKPSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H]1C[C@H]1C ZINC000414158221 386043465 /nfs/dbraw/zinc/04/34/65/386043465.db2.gz XOPLGQPGWZJYSS-RFGFWPKPSA-N 2 2 238.419 2.741 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000643287735 386052868 /nfs/dbraw/zinc/05/28/68/386052868.db2.gz UCMSEDUAZAWJKV-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000643287735 386052873 /nfs/dbraw/zinc/05/28/73/386052873.db2.gz UCMSEDUAZAWJKV-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000287251437 386106185 /nfs/dbraw/zinc/10/61/85/386106185.db2.gz ZLGKCBNJLOACIS-BPUTZDHNSA-N 2 2 246.398 2.862 20 0 BFADLP CC(C)[C@H]1CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000334443103 386063364 /nfs/dbraw/zinc/06/33/64/386063364.db2.gz ATVHDRAECKSUMP-CYBMUJFWSA-N 2 2 229.327 2.565 20 0 BFADLP CC(C)[C@H]1CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000334443103 386063371 /nfs/dbraw/zinc/06/33/71/386063371.db2.gz ATVHDRAECKSUMP-CYBMUJFWSA-N 2 2 229.327 2.565 20 0 BFADLP [NH3+][C@H]1CCCCC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335055007 386073434 /nfs/dbraw/zinc/07/34/34/386073434.db2.gz PRCILKPLNPQMFT-ZFWWWQNUSA-N 2 2 245.370 2.727 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@H](CC[NH3+])C(F)F)C1 ZINC000414984634 386094258 /nfs/dbraw/zinc/09/42/58/386094258.db2.gz DSGFNDZLYQJCDE-IJLUTSLNSA-N 2 2 248.361 2.775 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+]Cc1c(F)cc(C)cc1Cl ZINC000414991604 386156837 /nfs/dbraw/zinc/15/68/37/386156837.db2.gz QPXXVZSEDOCMDU-SECBINFHSA-N 2 2 244.741 2.614 20 0 BFADLP C[C@H]1CCC[C@H](C)[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414690834 386186286 /nfs/dbraw/zinc/18/62/86/386186286.db2.gz ASRBSXRLQRWWOK-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1CCC[C@H](C)[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414690834 386186289 /nfs/dbraw/zinc/18/62/89/386186289.db2.gz ASRBSXRLQRWWOK-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[N@H+](CC)C1)C(C)(C)C ZINC000414348825 386138061 /nfs/dbraw/zinc/13/80/61/386138061.db2.gz RZVOTNZJQMWFGU-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[N@@H+](CC)C1)C(C)(C)C ZINC000414348825 386138065 /nfs/dbraw/zinc/13/80/65/386138065.db2.gz RZVOTNZJQMWFGU-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000414704471 386212368 /nfs/dbraw/zinc/21/23/68/386212368.db2.gz MIHDWEVZSMKFEG-YPMHNXCESA-N 2 2 224.392 2.623 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000414704471 386212376 /nfs/dbraw/zinc/21/23/76/386212376.db2.gz MIHDWEVZSMKFEG-YPMHNXCESA-N 2 2 224.392 2.623 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000414709339 386221980 /nfs/dbraw/zinc/22/19/80/386221980.db2.gz QXJJUCDWBXXNIO-XJKSGUPXSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000414709339 386221983 /nfs/dbraw/zinc/22/19/83/386221983.db2.gz QXJJUCDWBXXNIO-XJKSGUPXSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000414709336 386222251 /nfs/dbraw/zinc/22/22/51/386222251.db2.gz QXJJUCDWBXXNIO-CJNGLKHVSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1Cc2ccccc2C[C@H]1C ZINC000414709336 386222255 /nfs/dbraw/zinc/22/22/55/386222255.db2.gz QXJJUCDWBXXNIO-CJNGLKHVSA-N 2 2 246.398 2.807 20 0 BFADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccco2)c2ccccc21 ZINC000131860082 386225025 /nfs/dbraw/zinc/22/50/25/386225025.db2.gz ZYYSJTDUWAVSJM-UONOGXRCSA-N 2 2 228.295 2.514 20 0 BFADLP CC/C=C/CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365631446 386240012 /nfs/dbraw/zinc/24/00/12/386240012.db2.gz RAZWZSZBDAJZIZ-ISZGNANSSA-N 2 2 247.386 2.956 20 0 BFADLP CC/C=C/CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365631446 386240017 /nfs/dbraw/zinc/24/00/17/386240017.db2.gz RAZWZSZBDAJZIZ-ISZGNANSSA-N 2 2 247.386 2.956 20 0 BFADLP CC(C)=CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365637567 386243722 /nfs/dbraw/zinc/24/37/22/386243722.db2.gz LBXXETVOJPUAOM-ZDUSSCGKSA-N 2 2 233.359 2.566 20 0 BFADLP CC(C)=CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365637567 386243727 /nfs/dbraw/zinc/24/37/27/386243727.db2.gz LBXXETVOJPUAOM-ZDUSSCGKSA-N 2 2 233.359 2.566 20 0 BFADLP Cc1ccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000347090410 386244658 /nfs/dbraw/zinc/24/46/58/386244658.db2.gz GAEPLOUPGNOFAP-INIZCTEOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000347090410 386244663 /nfs/dbraw/zinc/24/46/63/386244663.db2.gz GAEPLOUPGNOFAP-INIZCTEOSA-N 2 2 244.382 2.630 20 0 BFADLP CC[N@H+](CCC[NH+](C)C)Cc1ccsc1 ZINC000289463271 386310519 /nfs/dbraw/zinc/31/05/19/386310519.db2.gz OQNVQDAUDIVSLX-UHFFFAOYSA-N 2 2 226.389 2.522 20 0 BFADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccsc1 ZINC000289463271 386310523 /nfs/dbraw/zinc/31/05/23/386310523.db2.gz OQNVQDAUDIVSLX-UHFFFAOYSA-N 2 2 226.389 2.522 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000347173601 386269969 /nfs/dbraw/zinc/26/99/69/386269969.db2.gz PKIQNOFWUZOUCC-JZIMQPMSSA-N 2 2 248.345 2.652 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000347173601 386269974 /nfs/dbraw/zinc/26/99/74/386269974.db2.gz PKIQNOFWUZOUCC-JZIMQPMSSA-N 2 2 248.345 2.652 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000237080429 386352554 /nfs/dbraw/zinc/35/25/54/386352554.db2.gz AENKFERSZWWYII-WSYSLRRZSA-N 2 2 244.382 2.774 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000237080429 386352561 /nfs/dbraw/zinc/35/25/61/386352561.db2.gz AENKFERSZWWYII-WSYSLRRZSA-N 2 2 244.382 2.774 20 0 BFADLP CCc1ccc([C@@H](C[NH2+]C(C)C)[NH+](C)C)cc1 ZINC000236991997 386332526 /nfs/dbraw/zinc/33/25/26/386332526.db2.gz LZWNTPJHKGGVLJ-OAHLLOKOSA-N 2 2 234.387 2.850 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347334833 386332533 /nfs/dbraw/zinc/33/25/33/386332533.db2.gz JBRLZEVRIFEFFG-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000347334833 386332539 /nfs/dbraw/zinc/33/25/39/386332539.db2.gz JBRLZEVRIFEFFG-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H](CCc1ccsc1)[NH2+][C@H](C)C[NH+](C)C ZINC000336732697 386469387 /nfs/dbraw/zinc/46/93/87/386469387.db2.gz FYWFEFBWNQLGSD-VXGBXAGGSA-N 2 2 240.416 2.609 20 0 BFADLP CCC1(C)CCC([NH2+][C@H](C)C[NH+](C)C)CC1 ZINC000336744083 386481043 /nfs/dbraw/zinc/48/10/43/386481043.db2.gz UMYKMPNCFVZBPC-IYXRBSQSSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000417351536 386489936 /nfs/dbraw/zinc/48/99/36/386489936.db2.gz CYJFVKHMUYEJPE-IUODEOHRSA-N 2 2 244.382 2.604 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000417351486 386490607 /nfs/dbraw/zinc/49/06/07/386490607.db2.gz CUXMWXPVVIXTGS-OLZOCXBDSA-N 2 2 242.382 2.589 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000417351490 386490657 /nfs/dbraw/zinc/49/06/57/386490657.db2.gz CUXMWXPVVIXTGS-STQMWFEESA-N 2 2 242.382 2.589 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000417351488 386491188 /nfs/dbraw/zinc/49/11/88/386491188.db2.gz CUXMWXPVVIXTGS-QWHCGFSZSA-N 2 2 242.382 2.589 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000353529980 386502593 /nfs/dbraw/zinc/50/25/93/386502593.db2.gz LAUGBXVXSIBBMT-MELADBBJSA-N 2 2 247.386 2.523 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000353529980 386502597 /nfs/dbraw/zinc/50/25/97/386502597.db2.gz LAUGBXVXSIBBMT-MELADBBJSA-N 2 2 247.386 2.523 20 0 BFADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000417359319 386510432 /nfs/dbraw/zinc/51/04/32/386510432.db2.gz VLULZFRWVIVJHL-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000415038493 386523982 /nfs/dbraw/zinc/52/39/82/386523982.db2.gz MGXADINQWSRMFP-HNNXBMFYSA-N 2 2 244.382 2.794 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000123174956 386543872 /nfs/dbraw/zinc/54/38/72/386543872.db2.gz BJKLCXBFXUIQJK-HNNXBMFYSA-N 2 2 246.398 2.778 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC000123174956 386543874 /nfs/dbraw/zinc/54/38/74/386543874.db2.gz BJKLCXBFXUIQJK-HNNXBMFYSA-N 2 2 246.398 2.778 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1C ZINC000415064066 386545625 /nfs/dbraw/zinc/54/56/25/386545625.db2.gz BPGFYQUBEHWFOV-MRXNPFEDSA-N 2 2 246.398 2.844 20 0 BFADLP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415068758 386552517 /nfs/dbraw/zinc/55/25/17/386552517.db2.gz FHSCUKIJIQJEIM-MRXNPFEDSA-N 2 2 244.382 2.796 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000063191372 386553833 /nfs/dbraw/zinc/55/38/33/386553833.db2.gz PPJKHOHNHYHWGR-FZMZJTMJSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000063191372 386553838 /nfs/dbraw/zinc/55/38/38/386553838.db2.gz PPJKHOHNHYHWGR-FZMZJTMJSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062010678 386559531 /nfs/dbraw/zinc/55/95/31/386559531.db2.gz AUXNOGSQMYAAKJ-UWVGGRQHSA-N 2 2 226.751 2.680 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062010678 386559534 /nfs/dbraw/zinc/55/95/34/386559534.db2.gz AUXNOGSQMYAAKJ-UWVGGRQHSA-N 2 2 226.751 2.680 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+]C1CCCC1 ZINC000415072684 386562256 /nfs/dbraw/zinc/56/22/56/386562256.db2.gz YNGNYTDEHQPBPZ-OAHLLOKOSA-N 2 2 232.371 2.781 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1c(F)cccc1Cl ZINC000414793295 386564772 /nfs/dbraw/zinc/56/47/72/386564772.db2.gz KEDPTHXOEFRBIL-GFCCVEGCSA-N 2 2 244.741 2.552 20 0 BFADLP Fc1ccc(/C=C/C[NH2+][C@H]2CCCC[NH2+]C2)cc1 ZINC000415073886 386571612 /nfs/dbraw/zinc/57/16/12/386571612.db2.gz ZCMZFRRRWPIMSE-BWPKMQGJSA-N 2 2 248.345 2.571 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(C)o1 ZINC000335498658 386623186 /nfs/dbraw/zinc/62/31/86/386623186.db2.gz SGJBMDLPYFPMIA-DGCLKSJQSA-N 2 2 236.359 2.689 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(C)o1 ZINC000335498659 386623335 /nfs/dbraw/zinc/62/33/35/386623335.db2.gz SGJBMDLPYFPMIA-WCQYABFASA-N 2 2 236.359 2.689 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)s1 ZINC000335498300 386623611 /nfs/dbraw/zinc/62/36/11/386623611.db2.gz IUZBDLLIGZEGOO-NEPJUHHUSA-N 2 2 238.400 2.849 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC000335498159 386624106 /nfs/dbraw/zinc/62/41/06/386624106.db2.gz DZNMYOMMKPXYIL-BXUZGUMPSA-N 2 2 236.334 2.618 20 0 BFADLP C[N@H+](CC[NH3+])Cc1cc(-c2ccccc2)cs1 ZINC000415101404 386624368 /nfs/dbraw/zinc/62/43/68/386624368.db2.gz BUQGPMDDJLXOSP-UHFFFAOYSA-N 2 2 246.379 2.806 20 0 BFADLP C[N@@H+](CC[NH3+])Cc1cc(-c2ccccc2)cs1 ZINC000415101404 386624372 /nfs/dbraw/zinc/62/43/72/386624372.db2.gz BUQGPMDDJLXOSP-UHFFFAOYSA-N 2 2 246.379 2.806 20 0 BFADLP C[C@@H](Cc1ccsc1)[NH2+]C(C)(C)C[NH+](C)C ZINC000520344293 386656276 /nfs/dbraw/zinc/65/62/76/386656276.db2.gz GBAHNEDYUFFPAX-NSHDSACASA-N 2 2 240.416 2.609 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cs1 ZINC000335495762 386618803 /nfs/dbraw/zinc/61/88/03/386618803.db2.gz LWXOEYNLAFSPCQ-WCQYABFASA-N 2 2 238.400 2.849 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)oc1C ZINC000335496288 386618904 /nfs/dbraw/zinc/61/89/04/386618904.db2.gz PBSBKMYYBZYPCU-AAEUAGOBSA-N 2 2 236.359 2.689 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cs1 ZINC000335495761 386619083 /nfs/dbraw/zinc/61/90/83/386619083.db2.gz LWXOEYNLAFSPCQ-DGCLKSJQSA-N 2 2 238.400 2.849 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000414820315 386665301 /nfs/dbraw/zinc/66/53/01/386665301.db2.gz CERVEAFFHCEDFA-VIFPVBQESA-N 2 2 246.807 2.532 20 0 BFADLP CN(Cc1[nH]cc[nH+]1)c1cc[nH+]c2ccccc21 ZINC000428128644 386665435 /nfs/dbraw/zinc/66/54/35/386665435.db2.gz CGIYUDKBQGTKMF-UHFFFAOYSA-N 2 2 238.294 2.594 20 0 BFADLP CCC[C@H](C)[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000337246147 386676347 /nfs/dbraw/zinc/67/63/47/386676347.db2.gz JELBDNQKGQFEJN-AWEZNQCLSA-N 2 2 247.386 2.701 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414824507 386683409 /nfs/dbraw/zinc/68/34/09/386683409.db2.gz ARDBTUVVCJXVNF-SNPRPXQTSA-N 2 2 232.371 2.855 20 0 BFADLP Cc1ccc(C[NH2+]C[C@H]([NH3+])c2ccccc2)s1 ZINC000050226740 386688224 /nfs/dbraw/zinc/68/82/24/386688224.db2.gz GOMXBOMZCYNNCG-AWEZNQCLSA-N 2 2 246.379 2.846 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1 ZINC000043326701 386702989 /nfs/dbraw/zinc/70/29/89/386702989.db2.gz TWSVTXACALQMDG-KGLIPLIRSA-N 2 2 232.371 2.706 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000043326699 386703577 /nfs/dbraw/zinc/70/35/77/386703577.db2.gz TWSVTXACALQMDG-ZIAGYGMSSA-N 2 2 232.371 2.706 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)cc1 ZINC000043326077 386704049 /nfs/dbraw/zinc/70/40/49/386704049.db2.gz HKCVULOQTYLKIG-WFASDCNBSA-N 2 2 232.371 2.652 20 0 BFADLP [NH3+][C@H](C[NH2+]CC1CCCCC1)c1ccccc1 ZINC000414832286 386715645 /nfs/dbraw/zinc/71/56/45/386715645.db2.gz OJAUONQQIJRDFU-OAHLLOKOSA-N 2 2 232.371 2.856 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000269066839 386745915 /nfs/dbraw/zinc/74/59/15/386745915.db2.gz ZCZFZPZZMDCVHB-NEPJUHHUSA-N 2 2 238.375 2.833 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414930202 386748816 /nfs/dbraw/zinc/74/88/16/386748816.db2.gz OUMQALMFJBQWKI-MLGOLLRUSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccco1 ZINC000269041206 386741844 /nfs/dbraw/zinc/74/18/44/386741844.db2.gz UCQYGMISDYIDDG-LBPRGKRZSA-N 2 2 248.370 2.947 20 0 BFADLP c1[nH]cc(C2CC[NH+]([C@H]3C=CCCC3)CC2)[nH+]1 ZINC000334144945 386743510 /nfs/dbraw/zinc/74/35/10/386743510.db2.gz JHIXLDFFDRQORS-ZDUSSCGKSA-N 2 2 231.343 2.698 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417387848 386838674 /nfs/dbraw/zinc/83/86/74/386838674.db2.gz VDCFQZPXASXAGC-CYBMUJFWSA-N 2 2 224.392 2.805 20 0 BFADLP CCCC[N@H+](C)C[C@H](C)Nc1cc(C)cc[nH+]1 ZINC000341140426 386844842 /nfs/dbraw/zinc/84/48/42/386844842.db2.gz OMIORUWXJJKQKT-ZDUSSCGKSA-N 2 2 235.375 2.922 20 0 BFADLP CCCC[N@@H+](C)C[C@H](C)Nc1cc(C)cc[nH+]1 ZINC000341140426 386844850 /nfs/dbraw/zinc/84/48/50/386844850.db2.gz OMIORUWXJJKQKT-ZDUSSCGKSA-N 2 2 235.375 2.922 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414937932 386849739 /nfs/dbraw/zinc/84/97/39/386849739.db2.gz DTFCEHDIMHEOMY-BLLLJJGKSA-N 2 2 244.382 2.794 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414943212 386895275 /nfs/dbraw/zinc/89/52/75/386895275.db2.gz CRVFLVQHCJNIAP-BBRMVZONSA-N 2 2 246.398 2.899 20 0 BFADLP c1c2ccccc2sc1C[NH2+][C@@H]1CCC[NH2+]C1 ZINC000334850896 386900248 /nfs/dbraw/zinc/90/02/48/386900248.db2.gz YDOTTZXWCHERHU-GFCCVEGCSA-N 2 2 246.379 2.743 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000352907132 386956084 /nfs/dbraw/zinc/95/60/84/386956084.db2.gz YSKSAAXJMZCJLA-LALPHHSUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000352907132 386956087 /nfs/dbraw/zinc/95/60/87/386956087.db2.gz YSKSAAXJMZCJLA-LALPHHSUSA-N 2 2 236.403 2.637 20 0 BFADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccoc2)c2ccccc21 ZINC000125984516 386963818 /nfs/dbraw/zinc/96/38/18/386963818.db2.gz CYTANTJFGVJEQV-ZIAGYGMSSA-N 2 2 228.295 2.514 20 0 BFADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccoc2)c2ccccc21 ZINC000125984781 386964446 /nfs/dbraw/zinc/96/44/46/386964446.db2.gz CYTANTJFGVJEQV-UONOGXRCSA-N 2 2 228.295 2.514 20 0 BFADLP CCCc1[nH+]ccn1Cc1ccc(C)[nH+]c1C ZINC000358694928 386999565 /nfs/dbraw/zinc/99/95/65/386999565.db2.gz SHPPJBNCKLUVGT-UHFFFAOYSA-N 2 2 229.327 2.896 20 0 BFADLP Cc1cc(C[N@@H+](C)[C@H](C[NH3+])C2CC2)c(C)s1 ZINC000126550721 387038426 /nfs/dbraw/zinc/03/84/26/387038426.db2.gz GLKURPFYJRCBEB-CYBMUJFWSA-N 2 2 238.400 2.534 20 0 BFADLP Cc1cc(C[N@H+](C)[C@H](C[NH3+])C2CC2)c(C)s1 ZINC000126550721 387038430 /nfs/dbraw/zinc/03/84/30/387038430.db2.gz GLKURPFYJRCBEB-CYBMUJFWSA-N 2 2 238.400 2.534 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000527349889 387054372 /nfs/dbraw/zinc/05/43/72/387054372.db2.gz BHGAVFBRRIAZGL-WCQYABFASA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000527349889 387054377 /nfs/dbraw/zinc/05/43/77/387054377.db2.gz BHGAVFBRRIAZGL-WCQYABFASA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000527349888 387055819 /nfs/dbraw/zinc/05/58/19/387055819.db2.gz BHGAVFBRRIAZGL-DGCLKSJQSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000527349888 387055822 /nfs/dbraw/zinc/05/58/22/387055822.db2.gz BHGAVFBRRIAZGL-DGCLKSJQSA-N 2 2 236.403 2.637 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000053201671 387020054 /nfs/dbraw/zinc/02/00/54/387020054.db2.gz YNJIKFUYJUYUAQ-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000053201671 387020057 /nfs/dbraw/zinc/02/00/57/387020057.db2.gz YNJIKFUYJUYUAQ-GOEBONIOSA-N 2 2 244.382 2.748 20 0 BFADLP c1ccc2[nH+]c(NCC[C@H]3CC[NH2+]C3)ccc2c1 ZINC000110798633 387069267 /nfs/dbraw/zinc/06/92/67/387069267.db2.gz NPGBMMBXPPZBJF-GFCCVEGCSA-N 2 2 241.338 2.646 20 0 BFADLP Cc1cc(C)c([C@@H](C)[NH2+]CC[NH+](C)C)cc1C ZINC000020083638 387071533 /nfs/dbraw/zinc/07/15/33/387071533.db2.gz DZQDTXVGYMGGAK-CQSZACIVSA-N 2 2 234.387 2.824 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(O)c1 ZINC000423298915 387130584 /nfs/dbraw/zinc/13/05/84/387130584.db2.gz PFIXRDKQXAAEMA-WCQYABFASA-N 2 2 236.359 2.560 20 0 BFADLP CCCCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000370167360 387095458 /nfs/dbraw/zinc/09/54/58/387095458.db2.gz NLBWCTXCPKBHKY-GFCCVEGCSA-N 2 2 221.348 2.779 20 0 BFADLP CCCCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000370167360 387095464 /nfs/dbraw/zinc/09/54/64/387095464.db2.gz NLBWCTXCPKBHKY-GFCCVEGCSA-N 2 2 221.348 2.779 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@H]2CC23CC3)c[nH+]1 ZINC000418091513 387098476 /nfs/dbraw/zinc/09/84/76/387098476.db2.gz GOJIHTAJECRMHL-CQSZACIVSA-N 2 2 230.355 2.712 20 0 BFADLP Cn1cc[nH+]c1CNc1cc[nH+]c2ccsc21 ZINC000359476481 387108223 /nfs/dbraw/zinc/10/82/23/387108223.db2.gz AITHPFTUIOWXKZ-UHFFFAOYSA-N 2 2 244.323 2.642 20 0 BFADLP C[NH2+][C@@H]1CCC[N@@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250783192 387120441 /nfs/dbraw/zinc/12/04/41/387120441.db2.gz YNJIKFUYJUYUAQ-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+][C@@H]1CCC[N@H+]([C@H]2CCCc3ccccc32)C1 ZINC000250783192 387120447 /nfs/dbraw/zinc/12/04/47/387120447.db2.gz YNJIKFUYJUYUAQ-ZBFHGGJFSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@@H](C[NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000418119473 387068108 /nfs/dbraw/zinc/06/81/08/387068108.db2.gz XPMLIGSEAINONI-AWEZNQCLSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H](Nc1ccc(Cn2cc[nH+]c2)c[nH+]1)C1CC1 ZINC000353127379 387143256 /nfs/dbraw/zinc/14/32/56/387143256.db2.gz PDGHUHVCKLFGRU-LLVKDONJSA-N 2 2 242.326 2.537 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000423313841 387150911 /nfs/dbraw/zinc/15/09/11/387150911.db2.gz VCMOEFOKSIQYFK-AWEZNQCLSA-N 2 2 234.387 2.954 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000423316938 387156826 /nfs/dbraw/zinc/15/68/26/387156826.db2.gz YKBLHIIMLAILPJ-ZDUSSCGKSA-N 2 2 220.360 2.645 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCC23CCCC3)CCC1 ZINC000353242743 387163736 /nfs/dbraw/zinc/16/37/36/387163736.db2.gz JFHORTLJMZDALI-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423323022 387164077 /nfs/dbraw/zinc/16/40/77/387164077.db2.gz JEWAFEZWSHBLDX-GHMZBOCLSA-N 2 2 246.354 2.993 20 0 BFADLP CC(C)CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccoc1 ZINC000423327536 387169744 /nfs/dbraw/zinc/16/97/44/387169744.db2.gz NJPHDEQLFJNJJD-DGCLKSJQSA-N 2 2 224.348 2.694 20 0 BFADLP Cc1ccc2cc([C@@H](C)[NH2+][C@H](C)C[NH3+])oc2c1 ZINC000423329101 387171785 /nfs/dbraw/zinc/17/17/85/387171785.db2.gz ONEDRIINGBPOOV-GHMZBOCLSA-N 2 2 232.327 2.739 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCCC[C@@H]1C ZINC000120108717 387174786 /nfs/dbraw/zinc/17/47/86/387174786.db2.gz IJKYATGENVOWGJ-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCCC[C@@H]1C ZINC000120108717 387174790 /nfs/dbraw/zinc/17/47/90/387174790.db2.gz IJKYATGENVOWGJ-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[NH+](C)C ZINC000353310980 387175580 /nfs/dbraw/zinc/17/55/80/387175580.db2.gz GNJIUMNCKHGKHW-QWRGUYRKSA-N 2 2 248.361 2.740 20 0 BFADLP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1Cl ZINC000423335332 387184201 /nfs/dbraw/zinc/18/42/01/387184201.db2.gz XDPIFORTQRQOID-TVQRCGJNSA-N 2 2 238.762 2.728 20 0 BFADLP c1cn(-c2ccc(C[NH2+]CCC3CC3)cc2)c[nH+]1 ZINC000088455197 387190074 /nfs/dbraw/zinc/19/00/74/387190074.db2.gz IECWXCRUSLSFGL-UHFFFAOYSA-N 2 2 241.338 2.762 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000370680918 387135377 /nfs/dbraw/zinc/13/53/77/387135377.db2.gz BOYAWACMWZGYTM-AAEUAGOBSA-N 2 2 235.375 2.847 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1csc(C)c1 ZINC000423305076 387140195 /nfs/dbraw/zinc/14/01/95/387140195.db2.gz AWFIOUHGGPQECA-NSHDSACASA-N 2 2 226.389 2.707 20 0 BFADLP C[C@@H]1CCCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000187516126 387203460 /nfs/dbraw/zinc/20/34/60/387203460.db2.gz WTTSTUGCBQUTKL-CYBMUJFWSA-N 2 2 243.354 2.956 20 0 BFADLP C[C@@H]1CCCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000187516126 387203463 /nfs/dbraw/zinc/20/34/63/387203463.db2.gz WTTSTUGCBQUTKL-CYBMUJFWSA-N 2 2 243.354 2.956 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423355472 387205244 /nfs/dbraw/zinc/20/52/44/387205244.db2.gz FPGIGOOWEVBMPW-DZKIICNBSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)CC2 ZINC000423359509 387210216 /nfs/dbraw/zinc/21/02/16/387210216.db2.gz KSIRHTRTMOOOCU-WQVCFCJDSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000423367177 387219019 /nfs/dbraw/zinc/21/90/19/387219019.db2.gz QWJDMZDUZAPZLQ-INWMFGNUSA-N 2 2 246.398 2.952 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000423370931 387223075 /nfs/dbraw/zinc/22/30/75/387223075.db2.gz FAVQEFZNXCVHEM-MWLCHTKSSA-N 2 2 226.389 2.705 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423372468 387226309 /nfs/dbraw/zinc/22/63/09/387226309.db2.gz VRPOQPCCVZFJSA-XEZPLFJOSA-N 2 2 246.398 2.898 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000423371782 387227731 /nfs/dbraw/zinc/22/77/31/387227731.db2.gz FSTYBGWADSLRBU-MNOVXSKESA-N 2 2 240.778 2.989 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1cccnc1 ZINC000423398442 387232968 /nfs/dbraw/zinc/23/29/68/387232968.db2.gz VKSHMHONEBBHBN-JSGCOSHPSA-N 2 2 247.386 2.510 20 0 BFADLP Cc1ccc2cc([C@H](C)[NH2+][C@@H](C)C[NH3+])oc2c1 ZINC000423397785 387233204 /nfs/dbraw/zinc/23/32/04/387233204.db2.gz ONEDRIINGBPOOV-QWRGUYRKSA-N 2 2 232.327 2.739 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000336406164 387236392 /nfs/dbraw/zinc/23/63/92/387236392.db2.gz YYZHDPSJUQWHLN-MFKMUULPSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1cccc(Cl)c1 ZINC000336406164 387236395 /nfs/dbraw/zinc/23/63/95/387236395.db2.gz YYZHDPSJUQWHLN-MFKMUULPSA-N 2 2 238.762 2.824 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1cccs1 ZINC000423375255 387258172 /nfs/dbraw/zinc/25/81/72/387258172.db2.gz XSLKXLJMOVVRCA-WOPDTQHZSA-N 2 2 238.400 2.787 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccncc1 ZINC000423384087 387268979 /nfs/dbraw/zinc/26/89/79/387268979.db2.gz JUYPYQKTSOPDCR-GXTWGEPZSA-N 2 2 247.386 2.510 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1C[C@@H]1C ZINC000572223538 387275990 /nfs/dbraw/zinc/27/59/90/387275990.db2.gz CGSGSAMJTLLKMI-UBHSHLNASA-N 2 2 247.386 2.744 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccccc1C ZINC000423392474 387279003 /nfs/dbraw/zinc/27/90/03/387279003.db2.gz XOPRAXLENFWYSM-CHWSQXEVSA-N 2 2 220.360 2.644 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000423394025 387279213 /nfs/dbraw/zinc/27/92/13/387279213.db2.gz ZGWDFWBVKDZOJJ-ZJUUUORDSA-N 2 2 242.313 2.613 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1C[C@@H]1C)[NH+](C)C ZINC000321600254 387280886 /nfs/dbraw/zinc/28/08/86/387280886.db2.gz PZYGZBGRNXWMLG-REWJHTLYSA-N 2 2 226.408 2.597 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000423394447 387281712 /nfs/dbraw/zinc/28/17/12/387281712.db2.gz ZRPNGZIVLXXGLS-ZIAGYGMSSA-N 2 2 234.387 2.952 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000423437120 387288001 /nfs/dbraw/zinc/28/80/01/387288001.db2.gz GBFRDDAMXCHSKY-RVBZMBCESA-N 2 2 242.313 2.741 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000423440127 387289492 /nfs/dbraw/zinc/28/94/92/387289492.db2.gz APEAKRLIYGHKQK-CBAPKCEASA-N 2 2 232.780 2.789 20 0 BFADLP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423441014 387291385 /nfs/dbraw/zinc/29/13/85/387291385.db2.gz IXNNAVBJYWRDKC-NHCYSSNCSA-N 2 2 236.359 2.618 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+]CC1CCCCCC1)CC2 ZINC000336478666 387305879 /nfs/dbraw/zinc/30/58/79/387305879.db2.gz ZIQGZCPHIGDFNM-AWEZNQCLSA-N 2 2 247.386 2.758 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](CC)c1ccccc1F ZINC000423458215 387307219 /nfs/dbraw/zinc/30/72/19/387307219.db2.gz GQYQEOWTWBFQSN-ZWNOBZJWSA-N 2 2 224.323 2.604 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccnc1 ZINC000643501828 387354691 /nfs/dbraw/zinc/35/46/91/387354691.db2.gz QRQQKAFJOHSDSL-GJZGRUSLSA-N 2 2 247.386 2.655 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502180 387355813 /nfs/dbraw/zinc/35/58/13/387355813.db2.gz ZHIUGXDGRBWVEN-IVMMDQJWSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502182 387356302 /nfs/dbraw/zinc/35/63/02/387356302.db2.gz ZHIUGXDGRBWVEN-XPKDYRNWSA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000423480743 387360746 /nfs/dbraw/zinc/36/07/46/387360746.db2.gz WIKONEWUYHDDEK-WCQYABFASA-N 2 2 243.354 2.623 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccs1 ZINC000423546474 387370502 /nfs/dbraw/zinc/37/05/02/387370502.db2.gz FHSOQHJJAJEFAY-NEPJUHHUSA-N 2 2 238.400 2.931 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccs1 ZINC000423546477 387371129 /nfs/dbraw/zinc/37/11/29/387371129.db2.gz FHSOQHJJAJEFAY-RYUDHWBXSA-N 2 2 238.400 2.931 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423551673 387373201 /nfs/dbraw/zinc/37/32/01/387373201.db2.gz JJEMMQDWEWUKHC-UONOGXRCSA-N 2 2 232.371 2.788 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[NH2+]C1)CC2 ZINC000423565615 387376857 /nfs/dbraw/zinc/37/68/57/387376857.db2.gz SPQABOVVAPYEGA-GOEBONIOSA-N 2 2 244.382 2.714 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000423566327 387377267 /nfs/dbraw/zinc/37/72/67/387377267.db2.gz UCOIXDOWFZFJCO-HUUCEWRRSA-N 2 2 232.371 2.869 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000423497078 387340415 /nfs/dbraw/zinc/34/04/15/387340415.db2.gz FYVZICUMDUEUIK-NOXHYTERSA-N 2 2 246.398 2.883 20 0 BFADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336516370 387341338 /nfs/dbraw/zinc/34/13/38/387341338.db2.gz XDZDLTOSBCUAKU-SMDDNHRTSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000336516370 387341342 /nfs/dbraw/zinc/34/13/42/387341342.db2.gz XDZDLTOSBCUAKU-SMDDNHRTSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336516370 387341346 /nfs/dbraw/zinc/34/13/46/387341346.db2.gz XDZDLTOSBCUAKU-SMDDNHRTSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1occc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000336516370 387341348 /nfs/dbraw/zinc/34/13/48/387341348.db2.gz XDZDLTOSBCUAKU-SMDDNHRTSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501156 387348972 /nfs/dbraw/zinc/34/89/72/387348972.db2.gz YJNSSPRSLKHMID-BBRMVZONSA-N 2 2 244.382 2.714 20 0 BFADLP CC1(C)C[C@@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643506379 387459411 /nfs/dbraw/zinc/45/94/11/387459411.db2.gz UNCNLLKRPLJRCC-OAHLLOKOSA-N 2 2 244.382 2.751 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643506893 387460509 /nfs/dbraw/zinc/46/05/09/387460509.db2.gz LRDSBSRBWZRCHQ-SWLSCSKDSA-N 2 2 244.382 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCC2)C[N@@H+]1C1CC1 ZINC000324671654 387499104 /nfs/dbraw/zinc/49/91/04/387499104.db2.gz LARDKAAQNXUWPF-WPGHFRTFSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H](C2CC2)C2CCC2)C[N@H+]1C1CC1 ZINC000324671654 387499110 /nfs/dbraw/zinc/49/91/10/387499110.db2.gz LARDKAAQNXUWPF-WPGHFRTFSA-N 2 2 248.414 2.780 20 0 BFADLP CC1(C)Cc2occc2[C@@H]([NH2+]CC[NH2+]C2CC2)C1 ZINC000643505892 387464284 /nfs/dbraw/zinc/46/42/84/387464284.db2.gz CNZKLVLCOSCLKR-ZDUSSCGKSA-N 2 2 248.370 2.635 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000643506257 387466798 /nfs/dbraw/zinc/46/67/98/387466798.db2.gz PVUUYSGCHIQQJF-ZDUSSCGKSA-N 2 2 232.371 2.706 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000374596289 387472426 /nfs/dbraw/zinc/47/24/26/387472426.db2.gz WSHOXPGFTWMQLK-SJXGUFTOSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000374596289 387472432 /nfs/dbraw/zinc/47/24/32/387472432.db2.gz WSHOXPGFTWMQLK-SJXGUFTOSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643507007 387474051 /nfs/dbraw/zinc/47/40/51/387474051.db2.gz PNCKPYUOPKQFHM-MRXNPFEDSA-N 2 2 244.382 2.788 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+]CC[NH+]1CCCC1 ZINC000304412629 387475680 /nfs/dbraw/zinc/47/56/80/387475680.db2.gz PWAMZINZHKLHKE-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP c1c2ccccc2sc1C[N@@H+]1CCC[NH2+]CC1 ZINC000336624174 387477691 /nfs/dbraw/zinc/47/76/91/387477691.db2.gz UFJNIYVUKKIAKG-UHFFFAOYSA-N 2 2 246.379 2.697 20 0 BFADLP c1c2ccccc2sc1C[N@H+]1CCC[NH2+]CC1 ZINC000336624174 387477696 /nfs/dbraw/zinc/47/76/96/387477696.db2.gz UFJNIYVUKKIAKG-UHFFFAOYSA-N 2 2 246.379 2.697 20 0 BFADLP CC[N@H+](CCCn1cc[nH+]c1)CC(C)(C)C ZINC000361522047 387480683 /nfs/dbraw/zinc/48/06/83/387480683.db2.gz MGXCHCKHUXLYDK-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CC[N@@H+](CCCn1cc[nH+]c1)CC(C)(C)C ZINC000361522047 387480688 /nfs/dbraw/zinc/48/06/88/387480688.db2.gz MGXCHCKHUXLYDK-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000336715626 387580602 /nfs/dbraw/zinc/58/06/02/387580602.db2.gz SRNPLMWMZHYMMM-WFASDCNBSA-N 2 2 232.371 2.652 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000536861689 387585303 /nfs/dbraw/zinc/58/53/03/387585303.db2.gz FVGIJKDFEIZNIH-UKRRQHHQSA-N 2 2 240.435 2.987 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000536861689 387585306 /nfs/dbraw/zinc/58/53/06/387585306.db2.gz FVGIJKDFEIZNIH-UKRRQHHQSA-N 2 2 240.435 2.987 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000041064045 387588735 /nfs/dbraw/zinc/58/87/35/387588735.db2.gz ILRAAVCMEYGOIM-CQSZACIVSA-N 2 2 243.354 2.851 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000422551907 387599062 /nfs/dbraw/zinc/59/90/62/387599062.db2.gz GADJSMCDHWCEOU-LRDDRELGSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@H](CC1CC1)[NH2+]CC[NH+]1CCCCCC1 ZINC000123991801 387600861 /nfs/dbraw/zinc/60/08/61/387600861.db2.gz REROCQOYTOXOJF-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000422558326 387600979 /nfs/dbraw/zinc/60/09/79/387600979.db2.gz YVQYUAVMPHRMRG-HNNXBMFYSA-N 2 2 244.382 2.794 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422698004 387612956 /nfs/dbraw/zinc/61/29/56/387612956.db2.gz XENOUEFJSHGABD-HIFRSBDPSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000422696588 387613909 /nfs/dbraw/zinc/61/39/09/387613909.db2.gz RXATZOGVOGMYTQ-HOCLYGCPSA-N 2 2 246.398 2.924 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000422698006 387613919 /nfs/dbraw/zinc/61/39/19/387613919.db2.gz XENOUEFJSHGABD-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCCC1 ZINC000123014424 387635864 /nfs/dbraw/zinc/63/58/64/387635864.db2.gz RYTQRLGJRBZZLM-SGMGOOAPSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCCC1 ZINC000123014424 387635868 /nfs/dbraw/zinc/63/58/68/387635868.db2.gz RYTQRLGJRBZZLM-SGMGOOAPSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000422734251 387644176 /nfs/dbraw/zinc/64/41/76/387644176.db2.gz SQBXIGCAWBNWKR-DAXOMENPSA-N 2 2 244.382 2.652 20 0 BFADLP CC[NH+](CC)[C@H](C[NH2+]C(C)C)Cc1ccccc1 ZINC000125172560 387646306 /nfs/dbraw/zinc/64/63/06/387646306.db2.gz XDAIWXNGRSNWHM-INIZCTEOSA-N 2 2 248.414 2.938 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC000376517093 387646856 /nfs/dbraw/zinc/64/68/56/387646856.db2.gz HJJPCPUSVFGYSY-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC000376517093 387646859 /nfs/dbraw/zinc/64/68/59/387646859.db2.gz HJJPCPUSVFGYSY-ZIAGYGMSSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000149331175 387649991 /nfs/dbraw/zinc/64/99/91/387649991.db2.gz LXMQOJKTINRSSG-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP CCC[C@H](CC)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000125485284 387659603 /nfs/dbraw/zinc/65/96/03/387659603.db2.gz DALPOWVDLJPZCZ-NEPJUHHUSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](CC)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000125485284 387659607 /nfs/dbraw/zinc/65/96/07/387659607.db2.gz DALPOWVDLJPZCZ-NEPJUHHUSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@@H](C)CC ZINC000163494949 387681551 /nfs/dbraw/zinc/68/15/51/387681551.db2.gz SPXWDLVHCCUXLB-QWHCGFSZSA-N 2 2 214.397 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@@H](C)CC ZINC000163494949 387681554 /nfs/dbraw/zinc/68/15/54/387681554.db2.gz SPXWDLVHCCUXLB-QWHCGFSZSA-N 2 2 214.397 2.743 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(C)c1 ZINC000422786148 387687838 /nfs/dbraw/zinc/68/78/38/387687838.db2.gz SDQSLVJSTFZTBD-GDBMZVCRSA-N 2 2 246.398 2.842 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000044687834 387688537 /nfs/dbraw/zinc/68/85/37/387688537.db2.gz UARJPVIRXOPGGU-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000044687834 387688544 /nfs/dbraw/zinc/68/85/44/387688544.db2.gz UARJPVIRXOPGGU-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP CC(C)CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367702108 387744548 /nfs/dbraw/zinc/74/45/48/387744548.db2.gz MFASJHXLGAZRJX-ZDUSSCGKSA-N 2 2 235.375 2.646 20 0 BFADLP CC(C)CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000367702108 387744554 /nfs/dbraw/zinc/74/45/54/387744554.db2.gz MFASJHXLGAZRJX-ZDUSSCGKSA-N 2 2 235.375 2.646 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1(C)CC1 ZINC000222011068 387746674 /nfs/dbraw/zinc/74/66/74/387746674.db2.gz CBMQZVONYOIKSN-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1(C)CC1 ZINC000222011068 387746683 /nfs/dbraw/zinc/74/66/83/387746683.db2.gz CBMQZVONYOIKSN-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)[C@@H]1CC12CC2 ZINC000527845392 387753061 /nfs/dbraw/zinc/75/30/61/387753061.db2.gz CVLQLIUCMPSTTE-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)[C@@H]1CC12CC2 ZINC000527845392 387753065 /nfs/dbraw/zinc/75/30/65/387753065.db2.gz CVLQLIUCMPSTTE-RDBSUJKOSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527847270 387753731 /nfs/dbraw/zinc/75/37/31/387753731.db2.gz INKGXKWFMFHFTR-HZSPNIEDSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438733 387709110 /nfs/dbraw/zinc/70/91/10/387709110.db2.gz OWLWRQBRCCPILV-VXGBXAGGSA-N 2 2 235.375 2.744 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000643525880 387755427 /nfs/dbraw/zinc/75/54/27/387755427.db2.gz GPCWYKPTWGHHKQ-SFYZADRCSA-N 2 2 247.169 2.991 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527805168 387729020 /nfs/dbraw/zinc/72/90/20/387729020.db2.gz DLOGNGAYYDJUJW-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527805168 387729024 /nfs/dbraw/zinc/72/90/24/387729024.db2.gz DLOGNGAYYDJUJW-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527811052 387732522 /nfs/dbraw/zinc/73/25/22/387732522.db2.gz WRYCCKQYCWZIIG-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527811052 387732529 /nfs/dbraw/zinc/73/25/29/387732529.db2.gz WRYCCKQYCWZIIG-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643527131 387762736 /nfs/dbraw/zinc/76/27/36/387762736.db2.gz DEYOFSOLYYEVHB-MWLCHTKSSA-N 2 2 232.327 2.739 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000129114397 387763773 /nfs/dbraw/zinc/76/37/73/387763773.db2.gz DXAKCHBSZZVXAB-RWMBFGLXSA-N 2 2 234.343 2.557 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000129114397 387763777 /nfs/dbraw/zinc/76/37/77/387763777.db2.gz DXAKCHBSZZVXAB-RWMBFGLXSA-N 2 2 234.343 2.557 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(-c2ccccc2)o1 ZINC000643528918 387772065 /nfs/dbraw/zinc/77/20/65/387772065.db2.gz QVBORHBLUXOMHG-NWDGAFQWSA-N 2 2 244.338 2.944 20 0 BFADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528013 387774526 /nfs/dbraw/zinc/77/45/26/387774526.db2.gz XIYKBXOPXOTPOJ-MNOVXSKESA-N 2 2 246.354 2.993 20 0 BFADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528012 387774804 /nfs/dbraw/zinc/77/48/04/387774804.db2.gz XIYKBXOPXOTPOJ-GHMZBOCLSA-N 2 2 246.354 2.993 20 0 BFADLP CC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944862 387781574 /nfs/dbraw/zinc/78/15/74/387781574.db2.gz DEPYIQHLHSTKKE-JSGCOSHPSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527944862 387781578 /nfs/dbraw/zinc/78/15/78/387781578.db2.gz DEPYIQHLHSTKKE-JSGCOSHPSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944865 387782082 /nfs/dbraw/zinc/78/20/82/387782082.db2.gz DEPYIQHLHSTKKE-TZMCWYRMSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527944865 387782087 /nfs/dbraw/zinc/78/20/87/387782087.db2.gz DEPYIQHLHSTKKE-TZMCWYRMSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H]([NH2+]C1(c2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000422946362 387785000 /nfs/dbraw/zinc/78/50/00/387785000.db2.gz WMYADSUMIWIHBC-DZGCQCFKSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+](C)Cc1ccccc1)C1CC1 ZINC000151036660 387797719 /nfs/dbraw/zinc/79/77/19/387797719.db2.gz SGEBOFSYFSYQLP-INIZCTEOSA-N 2 2 246.398 2.897 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000151036660 387797722 /nfs/dbraw/zinc/79/77/22/387797722.db2.gz SGEBOFSYFSYQLP-INIZCTEOSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423000969 387805700 /nfs/dbraw/zinc/80/57/00/387805700.db2.gz HFHKDZOVMRVGRF-LALPHHSUSA-N 2 2 230.355 2.577 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528002130 387807021 /nfs/dbraw/zinc/80/70/21/387807021.db2.gz PBJJRGYADAKIIS-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528002130 387807024 /nfs/dbraw/zinc/80/70/24/387807024.db2.gz PBJJRGYADAKIIS-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528002138 387807543 /nfs/dbraw/zinc/80/75/43/387807543.db2.gz PBJJRGYADAKIIS-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528002138 387807544 /nfs/dbraw/zinc/80/75/44/387807544.db2.gz PBJJRGYADAKIIS-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528004105 387810385 /nfs/dbraw/zinc/81/03/85/387810385.db2.gz VFNRUEVIPATGII-CQSZACIVSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528004105 387810390 /nfs/dbraw/zinc/81/03/90/387810390.db2.gz VFNRUEVIPATGII-CQSZACIVSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CC[N@H+](CC2=CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000645837212 387761042 /nfs/dbraw/zinc/76/10/42/387761042.db2.gz LFQRHARHMNKCHX-UKRRQHHQSA-N 2 2 245.370 2.876 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2=CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000645837212 387761048 /nfs/dbraw/zinc/76/10/48/387761048.db2.gz LFQRHARHMNKCHX-UKRRQHHQSA-N 2 2 245.370 2.876 20 0 BFADLP Cc1cc([C@@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)ccc1F ZINC000423011967 387833783 /nfs/dbraw/zinc/83/37/83/387833783.db2.gz JUNVVFLFRBIHSI-HIFRSBDPSA-N 2 2 248.345 2.537 20 0 BFADLP Cc1cc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C2CC2)ccc1F ZINC000423011968 387834673 /nfs/dbraw/zinc/83/46/73/387834673.db2.gz JUNVVFLFRBIHSI-UKRRQHHQSA-N 2 2 248.345 2.537 20 0 BFADLP Cc1ccc[nH+]c1NCc1c[nH+]cn1C(C)C ZINC000424160770 387839563 /nfs/dbraw/zinc/83/95/63/387839563.db2.gz USDRTNQRQDXBEW-UHFFFAOYSA-N 2 2 230.315 2.780 20 0 BFADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]2C2CCCC2)c1 ZINC000528209138 387871274 /nfs/dbraw/zinc/87/12/74/387871274.db2.gz LVPRKUMMXYYTDD-CQSZACIVSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000528209138 387871281 /nfs/dbraw/zinc/87/12/81/387871281.db2.gz LVPRKUMMXYYTDD-CQSZACIVSA-N 2 2 245.370 2.819 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528006798 387819557 /nfs/dbraw/zinc/81/95/57/387819557.db2.gz ABDIINVSBXNQNW-GXTWGEPZSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528006798 387819563 /nfs/dbraw/zinc/81/95/63/387819563.db2.gz ABDIINVSBXNQNW-GXTWGEPZSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]1CCC[C@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000151672061 387875012 /nfs/dbraw/zinc/87/50/12/387875012.db2.gz LYKOZFYPXYHJJA-GOEBONIOSA-N 2 2 246.398 2.897 20 0 BFADLP C[C@H]1CCC[C@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000151672061 387875014 /nfs/dbraw/zinc/87/50/14/387875014.db2.gz LYKOZFYPXYHJJA-GOEBONIOSA-N 2 2 246.398 2.897 20 0 BFADLP Cc1cscc1C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423081564 387877994 /nfs/dbraw/zinc/87/79/94/387877994.db2.gz CYNNBCLOTOEPHQ-JTQLQIEISA-N 2 2 247.367 2.715 20 0 BFADLP Cc1cscc1C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423081565 387879128 /nfs/dbraw/zinc/87/91/28/387879128.db2.gz CYNNBCLOTOEPHQ-SNVBAGLBSA-N 2 2 247.367 2.715 20 0 BFADLP CC[C@H]([NH2+]Cc1cscc1C)[C@@H]1CCC[NH2+]1 ZINC000423086366 387881398 /nfs/dbraw/zinc/88/13/98/387881398.db2.gz LURIJQIYKDZRLV-STQMWFEESA-N 2 2 238.400 2.677 20 0 BFADLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423137360 387913246 /nfs/dbraw/zinc/91/32/46/387913246.db2.gz WFHLXQKJPKGYBB-GJZGRUSLSA-N 2 2 248.345 2.673 20 0 BFADLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C2CC2)cc1F ZINC000423137361 387914400 /nfs/dbraw/zinc/91/44/00/387914400.db2.gz WFHLXQKJPKGYBB-HUUCEWRRSA-N 2 2 248.345 2.673 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(F)F ZINC000423147153 387923983 /nfs/dbraw/zinc/92/39/83/387923983.db2.gz REIHSTLTJFXLLK-SRVKXCTJSA-N 2 2 248.361 2.931 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(F)F ZINC000423147156 387925272 /nfs/dbraw/zinc/92/52/72/387925272.db2.gz REIHSTLTJFXLLK-WOPDTQHZSA-N 2 2 248.361 2.931 20 0 BFADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1 ZINC000396667958 387940977 /nfs/dbraw/zinc/94/09/77/387940977.db2.gz POKAWKQIBCQHEH-MFKMUULPSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000226316161 387944959 /nfs/dbraw/zinc/94/49/59/387944959.db2.gz BODLAWOCOPLGSE-GDBMZVCRSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000226316161 387944963 /nfs/dbraw/zinc/94/49/63/387944963.db2.gz BODLAWOCOPLGSE-GDBMZVCRSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)C(C)C ZINC000045106199 387963886 /nfs/dbraw/zinc/96/38/86/387963886.db2.gz VRVMNSNHLWQESQ-ZDUSSCGKSA-N 2 2 223.364 2.688 20 0 BFADLP CC(C)[C@H]([NH2+]CC[NH3+])c1cc2ccccc2o1 ZINC000423178456 387964878 /nfs/dbraw/zinc/96/48/78/387964878.db2.gz GDXWQUKVOVVEJU-AWEZNQCLSA-N 2 2 232.327 2.678 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423178635 387964992 /nfs/dbraw/zinc/96/49/92/387964992.db2.gz CHBIPCQMYSGXSP-IPYPFGDCSA-N 2 2 244.382 2.885 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)CCC2 ZINC000423179913 387966324 /nfs/dbraw/zinc/96/63/24/387966324.db2.gz DMQIKPIGIHQXHV-GOEBONIOSA-N 2 2 244.382 2.714 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000245615576 387968297 /nfs/dbraw/zinc/96/82/97/387968297.db2.gz XUGFDIVDNGSMOG-UONOGXRCSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@@H]3CCCC[C@H]32)c[nH+]1 ZINC000245615576 387968299 /nfs/dbraw/zinc/96/82/99/387968299.db2.gz XUGFDIVDNGSMOG-UONOGXRCSA-N 2 2 233.359 2.538 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC000423183257 387968447 /nfs/dbraw/zinc/96/84/47/387968447.db2.gz HOBIBJWTJPEVFM-KGLIPLIRSA-N 2 2 236.334 2.618 20 0 BFADLP Fc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423193872 387979311 /nfs/dbraw/zinc/97/93/11/387979311.db2.gz QYIXTXZFQWPNGL-CABCVRRESA-N 2 2 248.345 2.618 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000453076183 387980365 /nfs/dbraw/zinc/98/03/65/387980365.db2.gz VDRNLLQELDDEQL-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC000453076183 387980369 /nfs/dbraw/zinc/98/03/69/387980369.db2.gz VDRNLLQELDDEQL-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP c1c[nH+]c(C2CC[NH+](CC3=CCCC3)CC2)[nH]1 ZINC000645812674 387981059 /nfs/dbraw/zinc/98/10/59/387981059.db2.gz AADJTJAFLDDACM-UHFFFAOYSA-N 2 2 231.343 2.699 20 0 BFADLP Cc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423188337 387974552 /nfs/dbraw/zinc/97/45/52/387974552.db2.gz LORWUZGLXQFIQN-JKSUJKDBSA-N 2 2 244.382 2.788 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423197201 387981676 /nfs/dbraw/zinc/98/16/76/387981676.db2.gz YIRTZKODCVMVSH-MLGOLLRUSA-N 2 2 244.382 2.578 20 0 BFADLP Fc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000106869029 387975097 /nfs/dbraw/zinc/97/50/97/387975097.db2.gz FTQGSASMJYYCPY-ZIAGYGMSSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000106869029 387975101 /nfs/dbraw/zinc/97/51/01/387975101.db2.gz FTQGSASMJYYCPY-ZIAGYGMSSA-N 2 2 248.345 2.542 20 0 BFADLP c1cn(CCC[N@@H+]2CCCC3(CCCC3)C2)c[nH+]1 ZINC000445864921 387976542 /nfs/dbraw/zinc/97/65/42/387976542.db2.gz BASMARIENCLOKH-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP c1cn(CCC[N@H+]2CCCC3(CCCC3)C2)c[nH+]1 ZINC000445864921 387976547 /nfs/dbraw/zinc/97/65/47/387976547.db2.gz BASMARIENCLOKH-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP CC1(C)CCCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000446067430 387992788 /nfs/dbraw/zinc/99/27/88/387992788.db2.gz BYOFLLGXRNELKN-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CC1(C)CCCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000446067430 387992792 /nfs/dbraw/zinc/99/27/92/387992792.db2.gz BYOFLLGXRNELKN-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CCc1ccc([C@H](CC)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000423210200 387995616 /nfs/dbraw/zinc/99/56/16/387995616.db2.gz WGXBDOULMQKHCD-CABCVRRESA-N 2 2 232.371 2.652 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+]C2)s1 ZINC000423196623 387982024 /nfs/dbraw/zinc/98/20/24/387982024.db2.gz VSYPAFWFEXQEFL-QWRGUYRKSA-N 2 2 238.400 2.713 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423196280 387982142 /nfs/dbraw/zinc/98/21/42/387982142.db2.gz VCFYUGFRTDZMGV-NEPJUHHUSA-N 2 2 224.373 2.541 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1cccc(C)c1 ZINC000423197266 387982351 /nfs/dbraw/zinc/98/23/51/387982351.db2.gz YRAZZQKKRVPKDG-GJZGRUSLSA-N 2 2 232.371 2.788 20 0 BFADLP CC(C)C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccn1 ZINC000423196958 387982389 /nfs/dbraw/zinc/98/23/89/387982389.db2.gz XASBNKWVIYZOTB-HIFRSBDPSA-N 2 2 247.386 2.510 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453086731 387982613 /nfs/dbraw/zinc/98/26/13/387982613.db2.gz HMYSZSRQVFBVDJ-HNNXBMFYSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453086731 387982614 /nfs/dbraw/zinc/98/26/14/387982614.db2.gz HMYSZSRQVFBVDJ-HNNXBMFYSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423197200 387982742 /nfs/dbraw/zinc/98/27/42/387982742.db2.gz YIRTZKODCVMVSH-LRDDRELGSA-N 2 2 244.382 2.578 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)c1 ZINC000423197505 387984105 /nfs/dbraw/zinc/98/41/05/387984105.db2.gz ZQOAGLAQWOZNKQ-DZGCQCFKSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@H](CCCC[NH3+])[NH2+]c1ccc2c(c1)CCN2 ZINC000423220800 388002254 /nfs/dbraw/zinc/00/22/54/388002254.db2.gz VUJLHOIXCMNWLD-LLVKDONJSA-N 2 2 233.359 2.584 20 0 BFADLP CCSc1ccc([C@H](C)[NH2+]CC[NH2+]C)cc1 ZINC000423224426 388005295 /nfs/dbraw/zinc/00/52/95/388005295.db2.gz JDZSJVJSNBWTDR-NSHDSACASA-N 2 2 238.400 2.669 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1cc(C)c(F)c(C)c1 ZINC000423239960 388024038 /nfs/dbraw/zinc/02/40/38/388024038.db2.gz GLEBWQUKIWSRKF-LBPRGKRZSA-N 2 2 238.350 2.703 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000156702617 388025559 /nfs/dbraw/zinc/02/55/59/388025559.db2.gz MZCPSEUDBVEMNL-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C(C)(C)C ZINC000156702617 388025562 /nfs/dbraw/zinc/02/55/62/388025562.db2.gz MZCPSEUDBVEMNL-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1cc(C)sc1C ZINC000423243225 388025598 /nfs/dbraw/zinc/02/55/98/388025598.db2.gz JUGGOMLCAHVLES-SNVBAGLBSA-N 2 2 226.389 2.625 20 0 BFADLP C[NH2+]CC[NH2+][C@H](c1ccc(Cl)cc1)C(C)C ZINC000423226804 388012199 /nfs/dbraw/zinc/01/21/99/388012199.db2.gz SKAORDDJDOYXNC-ZDUSSCGKSA-N 2 2 240.778 2.846 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000246148464 388014354 /nfs/dbraw/zinc/01/43/54/388014354.db2.gz KVTSSUHHMFCBBO-HZSPNIEDSA-N 2 2 235.375 2.688 20 0 BFADLP CC1(C)Cc2occc2[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000423230494 388014748 /nfs/dbraw/zinc/01/47/48/388014748.db2.gz DTEJYWFYQSLFIJ-AAEUAGOBSA-N 2 2 248.370 2.635 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1C ZINC000423231881 388017287 /nfs/dbraw/zinc/01/72/87/388017287.db2.gz HGRZUMYPGJTYAU-ZFWWWQNUSA-N 2 2 232.371 2.706 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CC[C@H](C)c2ccsc21 ZINC000423235543 388018124 /nfs/dbraw/zinc/01/81/24/388018124.db2.gz NHIQOPAPIQRBSK-CMPLNLGQSA-N 2 2 238.400 2.886 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1cccc(C)c1C ZINC000423235392 388018539 /nfs/dbraw/zinc/01/85/39/388018539.db2.gz ARWXDSGJIOFANO-ZDUSSCGKSA-N 2 2 220.360 2.564 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc2c(c1)CCC2 ZINC000423235533 388018652 /nfs/dbraw/zinc/01/86/52/388018652.db2.gz NGZQAOXVNDPJNH-MLGOLLRUSA-N 2 2 244.382 2.578 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000423236788 388020575 /nfs/dbraw/zinc/02/05/75/388020575.db2.gz CSBCTVLRGLGZEK-CYBMUJFWSA-N 2 2 246.398 2.826 20 0 BFADLP [NH3+][C@@H](C[NH2+]C1CCC2(CC2)CC1)c1ccccc1 ZINC000423236465 388021239 /nfs/dbraw/zinc/02/12/39/388021239.db2.gz HFWQANJDKXMXNI-HNNXBMFYSA-N 2 2 244.382 2.999 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH2+]CC)c1ccsc1 ZINC000423250866 388033465 /nfs/dbraw/zinc/03/34/65/388033465.db2.gz UVQVREBJBUMMGX-GFCCVEGCSA-N 2 2 226.389 2.788 20 0 BFADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC1(C)C ZINC000423252653 388035664 /nfs/dbraw/zinc/03/56/64/388035664.db2.gz XZPDPOSRMRLXCS-FPMFFAJLSA-N 2 2 232.371 2.711 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000423253480 388035711 /nfs/dbraw/zinc/03/57/11/388035711.db2.gz ZEFDHIQIBCCELM-AWEZNQCLSA-N 2 2 220.360 2.645 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C)c1ccccc1 ZINC000446759962 388037690 /nfs/dbraw/zinc/03/76/90/388037690.db2.gz DPKNBNFZMFBGIS-IJEWVQPXSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1 ZINC000446759962 388037693 /nfs/dbraw/zinc/03/76/93/388037693.db2.gz DPKNBNFZMFBGIS-IJEWVQPXSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000446759960 388037823 /nfs/dbraw/zinc/03/78/23/388037823.db2.gz DPKNBNFZMFBGIS-IIAWOOMASA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000446759960 388037824 /nfs/dbraw/zinc/03/78/24/388037824.db2.gz DPKNBNFZMFBGIS-IIAWOOMASA-N 2 2 246.398 2.862 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH+]1CCCCC1)C1CC1 ZINC000083055377 388044527 /nfs/dbraw/zinc/04/45/27/388044527.db2.gz WSGXCKIRWDCMQP-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000446843294 388042349 /nfs/dbraw/zinc/04/23/49/388042349.db2.gz MAYMFJFTCJWLBN-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000446843294 388042353 /nfs/dbraw/zinc/04/23/53/388042353.db2.gz MAYMFJFTCJWLBN-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP [NH3+][C@H](C[NH2+][C@@H]1CCC12CCCC2)c1ccccc1 ZINC000423244199 388026434 /nfs/dbraw/zinc/02/64/34/388026434.db2.gz NHKZQGWKDQMNNF-HUUCEWRRSA-N 2 2 244.382 2.999 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)s1 ZINC000423242839 388026756 /nfs/dbraw/zinc/02/67/56/388026756.db2.gz VYSXPEPPVCMVFW-MNOVXSKESA-N 2 2 238.400 2.713 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000423242865 388026922 /nfs/dbraw/zinc/02/69/22/388026922.db2.gz JOSCZKSYTBQHFL-JTQLQIEISA-N 2 2 226.751 2.600 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(C2CC2)c1 ZINC000423245013 388027795 /nfs/dbraw/zinc/02/77/95/388027795.db2.gz XZQJNAZWTLBXPE-BLLLJJGKSA-N 2 2 244.382 2.967 20 0 BFADLP CC[C@H]([NH2+]CC[NH+]1CCCCCC1)C1CC1 ZINC000083055825 388044278 /nfs/dbraw/zinc/04/42/78/388044278.db2.gz LZORPYJYUFLULW-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[C@H]([NH2+]CC[NH2+]CC)c1ccccc1 ZINC000423246559 388030043 /nfs/dbraw/zinc/03/00/43/388030043.db2.gz NVMJEDMPTNWIET-AWEZNQCLSA-N 2 2 220.360 2.727 20 0 BFADLP CCCc1ccc([C@@H](C)[NH2+]CC[NH2+]CC)cc1 ZINC000423248877 388031157 /nfs/dbraw/zinc/03/11/57/388031157.db2.gz RFGVCQAKWFRLAF-CYBMUJFWSA-N 2 2 234.387 2.899 20 0 BFADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H]1CCCc2occc21 ZINC000423272533 388051331 /nfs/dbraw/zinc/05/13/31/388051331.db2.gz ZBYBCUDGDDJOBS-DGCLKSJQSA-N 2 2 236.359 2.620 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000423275967 388056162 /nfs/dbraw/zinc/05/61/62/388056162.db2.gz NRWPTTHOLLZBKB-TVQRCGJNSA-N 2 2 242.313 2.599 20 0 BFADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Cl)s1 ZINC000423276160 388057335 /nfs/dbraw/zinc/05/73/35/388057335.db2.gz MMFVODMUCHIRMC-APPZFPTMSA-N 2 2 244.791 2.789 20 0 BFADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1F ZINC000423279412 388060653 /nfs/dbraw/zinc/06/06/53/388060653.db2.gz SKAIFPFLTBMOJI-RYUDHWBXSA-N 2 2 238.350 2.850 20 0 BFADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423280473 388062553 /nfs/dbraw/zinc/06/25/53/388062553.db2.gz SQITXTXHBLHCJH-ZWNOBZJWSA-N 2 2 244.338 2.821 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)c(C)o1 ZINC000423283698 388067587 /nfs/dbraw/zinc/06/75/87/388067587.db2.gz XILGLACBLRCHMH-GWCFXTLKSA-N 2 2 224.348 2.530 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(F)c1F ZINC000423285907 388068460 /nfs/dbraw/zinc/06/84/60/388068460.db2.gz ZTIUKLFTVKEFLC-BXKDBHETSA-N 2 2 242.313 2.599 20 0 BFADLP Cc1ccc([C@H]([NH2+]CC(C)(C)[NH3+])C2CCC2)o1 ZINC000423288604 388073701 /nfs/dbraw/zinc/07/37/01/388073701.db2.gz TYHVVAFAZZWKMM-CYBMUJFWSA-N 2 2 236.359 2.756 20 0 BFADLP C[C@H]1CCC[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000084340587 388076727 /nfs/dbraw/zinc/07/67/27/388076727.db2.gz DFPHJTWFNBZSAJ-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cncc(C)c1 ZINC000423298024 388080136 /nfs/dbraw/zinc/08/01/36/388080136.db2.gz MVGUDJSUKRELAP-OCCSQVGLSA-N 2 2 235.375 2.558 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000453426151 388081673 /nfs/dbraw/zinc/08/16/73/388081673.db2.gz YSKSAAXJMZCJLA-SLEUVZQESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000453426151 388081675 /nfs/dbraw/zinc/08/16/75/388081675.db2.gz YSKSAAXJMZCJLA-SLEUVZQESA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCCn2cc[nH+]c2)C1 ZINC000085088879 388083958 /nfs/dbraw/zinc/08/39/58/388083958.db2.gz ISXNPZUEJVQWLL-MGPQQGTHSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000086727024 388107889 /nfs/dbraw/zinc/10/78/89/388107889.db2.gz PVBGFLSNWNDYAS-OLZOCXBDSA-N 2 2 238.762 2.743 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CCCC[C@H]1C)[NH+](C)C ZINC000449227225 388159517 /nfs/dbraw/zinc/15/95/17/388159517.db2.gz TXKMXWNNWPHKOR-RFGFWPKPSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CC[C@@H]1CC[C@H]([NH2+]CC[NH+](C)C)C1 ZINC000449268905 388164495 /nfs/dbraw/zinc/16/44/95/388164495.db2.gz KGZKXVFDMXGAQQ-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000449333902 388175228 /nfs/dbraw/zinc/17/52/28/388175228.db2.gz IDHHAYMCCHQVNL-GFQSEFKGSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000449333902 388175231 /nfs/dbraw/zinc/17/52/31/388175231.db2.gz IDHHAYMCCHQVNL-GFQSEFKGSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC2(CC2)CC1 ZINC000488454141 388180436 /nfs/dbraw/zinc/18/04/36/388180436.db2.gz IIGCUOOIDYHTEF-GFCCVEGCSA-N 2 2 233.359 2.584 20 0 BFADLP CC(C)C1CC([NH2+]CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000488459953 388181516 /nfs/dbraw/zinc/18/15/16/388181516.db2.gz ONAHNPPRNSPXGK-WLYUNCDWSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C1CC([NH2+]CC[N@H+]2CCCC[C@H]2C)C1 ZINC000488459953 388181519 /nfs/dbraw/zinc/18/15/19/388181519.db2.gz ONAHNPPRNSPXGK-WLYUNCDWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@H]1C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000488511771 388183138 /nfs/dbraw/zinc/18/31/38/388183138.db2.gz HLJFEXQNUNFTKX-CLWVCHIJSA-N 2 2 246.398 2.923 20 0 BFADLP CC1=CC[C@@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000646139076 388153855 /nfs/dbraw/zinc/15/38/55/388153855.db2.gz SCXLCRUFBHSJRY-CABCVRRESA-N 2 2 234.387 2.559 20 0 BFADLP CC1=CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)CC1 ZINC000646139076 388153857 /nfs/dbraw/zinc/15/38/57/388153857.db2.gz SCXLCRUFBHSJRY-CABCVRRESA-N 2 2 234.387 2.559 20 0 BFADLP CC/C=C\C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000449463667 388212050 /nfs/dbraw/zinc/21/20/50/388212050.db2.gz XEQBWURBYIKSLK-PLNGDYQASA-N 2 2 229.327 2.699 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@H]1c1ccccc1)[NH+](C)C ZINC000449558585 388231634 /nfs/dbraw/zinc/23/16/34/388231634.db2.gz YGMRLRGQYBEVFK-BPUTZDHNSA-N 2 2 246.398 2.862 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000459443306 388244690 /nfs/dbraw/zinc/24/46/90/388244690.db2.gz MQNKLZUMDMLLTE-ZDUSSCGKSA-N 2 2 249.402 2.721 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000459443306 388244692 /nfs/dbraw/zinc/24/46/92/388244692.db2.gz MQNKLZUMDMLLTE-ZDUSSCGKSA-N 2 2 249.402 2.721 20 0 BFADLP CSC[C@@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000276266688 388347955 /nfs/dbraw/zinc/34/79/55/388347955.db2.gz BXXBULNIRJTEDC-GFCCVEGCSA-N 2 2 238.400 2.664 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]CCC(C)(C)C ZINC000276293247 388348239 /nfs/dbraw/zinc/34/82/39/388348239.db2.gz UATZGVYTCUWIDD-UHFFFAOYSA-N 2 2 220.360 2.958 20 0 BFADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(Cl)cc1Cl ZINC000235145176 388365461 /nfs/dbraw/zinc/36/54/61/388365461.db2.gz POIQYYSNBZWGMX-YUMQZZPRSA-N 2 2 247.169 2.991 20 0 BFADLP Cc1ccc(C)c(C[NH2+]CC[N@H+]2CC[C@H](C)C2)c1 ZINC000524718431 388376135 /nfs/dbraw/zinc/37/61/35/388376135.db2.gz DQJYNSSJNVFXOS-AWEZNQCLSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1ccc(C)c(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)c1 ZINC000524718431 388376137 /nfs/dbraw/zinc/37/61/37/388376137.db2.gz DQJYNSSJNVFXOS-AWEZNQCLSA-N 2 2 246.398 2.735 20 0 BFADLP CC/C=C\CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000572972337 388401590 /nfs/dbraw/zinc/40/15/90/388401590.db2.gz VCMFHLVARXRLIZ-ZFDPJTLLSA-N 2 2 233.359 2.566 20 0 BFADLP CC/C=C\CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000572972337 388401591 /nfs/dbraw/zinc/40/15/91/388401591.db2.gz VCMFHLVARXRLIZ-ZFDPJTLLSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C(C)(C)C[NH+](C)C ZINC000308610029 388443533 /nfs/dbraw/zinc/44/35/33/388443533.db2.gz VYWASVIPNRCCKK-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000308637581 388445680 /nfs/dbraw/zinc/44/56/80/388445680.db2.gz QYYAALGBMDKMOY-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000309731817 388463294 /nfs/dbraw/zinc/46/32/94/388463294.db2.gz FKWZRMDKBDCCJF-RDBSUJKOSA-N 2 2 224.392 2.661 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000309731817 388463297 /nfs/dbraw/zinc/46/32/97/388463297.db2.gz FKWZRMDKBDCCJF-RDBSUJKOSA-N 2 2 224.392 2.661 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCCC1 ZINC000336726582 388470188 /nfs/dbraw/zinc/47/01/88/388470188.db2.gz CESLPACKMNNGFH-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@H]1C[NH2+]C1CCCC1 ZINC000336726582 388470190 /nfs/dbraw/zinc/47/01/90/388470190.db2.gz CESLPACKMNNGFH-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@H+](CC)C[C@@H]1C)C(C)(C)C ZINC000310006917 388471908 /nfs/dbraw/zinc/47/19/08/388471908.db2.gz HAMZSMXEQOPYEM-AVGNSLFASA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C)C(C)(C)C ZINC000310006917 388471910 /nfs/dbraw/zinc/47/19/10/388471910.db2.gz HAMZSMXEQOPYEM-AVGNSLFASA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@H+](CC)C[C@H]1C)C(C)(C)C ZINC000310006915 388472915 /nfs/dbraw/zinc/47/29/15/388472915.db2.gz HAMZSMXEQOPYEM-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](CC)C[C@H]1C)C(C)(C)C ZINC000310006915 388472916 /nfs/dbraw/zinc/47/29/16/388472916.db2.gz HAMZSMXEQOPYEM-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccsc1Cl ZINC000405466522 388473711 /nfs/dbraw/zinc/47/37/11/388473711.db2.gz JXMWLZNKRYQIIV-RKDXNWHRSA-N 2 2 244.791 2.617 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000524771170 388409045 /nfs/dbraw/zinc/40/90/45/388409045.db2.gz PGKQRZZRDSWTQI-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CC[C@@H](C)C2)C1 ZINC000524771170 388409047 /nfs/dbraw/zinc/40/90/47/388409047.db2.gz PGKQRZZRDSWTQI-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000573104353 388419863 /nfs/dbraw/zinc/41/98/63/388419863.db2.gz PAPNEXXSIFPRJD-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCCC12CC2 ZINC000573104353 388419866 /nfs/dbraw/zinc/41/98/66/388419866.db2.gz PAPNEXXSIFPRJD-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000513495516 388430360 /nfs/dbraw/zinc/43/03/60/388430360.db2.gz QOSXMBKLQKFXGH-TZMCWYRMSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C1CCCC1 ZINC000513495516 388430363 /nfs/dbraw/zinc/43/03/63/388430363.db2.gz QOSXMBKLQKFXGH-TZMCWYRMSA-N 2 2 238.419 2.743 20 0 BFADLP c1cn(CCC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000573202770 388431330 /nfs/dbraw/zinc/43/13/30/388431330.db2.gz GLWJCCPYKHEMEI-KBPBESRZSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CCC[N@H+]2CC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000573202770 388431332 /nfs/dbraw/zinc/43/13/32/388431332.db2.gz GLWJCCPYKHEMEI-KBPBESRZSA-N 2 2 233.359 2.538 20 0 BFADLP C/C(Cl)=C\C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000528512539 388537536 /nfs/dbraw/zinc/53/75/36/388537536.db2.gz LZZSGXFMFXQVKX-YKAQBRKTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000528512539 388537539 /nfs/dbraw/zinc/53/75/39/388537539.db2.gz LZZSGXFMFXQVKX-YKAQBRKTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000528512539 388537543 /nfs/dbraw/zinc/53/75/43/388537543.db2.gz LZZSGXFMFXQVKX-YKAQBRKTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000528512539 388537545 /nfs/dbraw/zinc/53/75/45/388537545.db2.gz LZZSGXFMFXQVKX-YKAQBRKTSA-N 2 2 242.794 2.547 20 0 BFADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397592149 388482116 /nfs/dbraw/zinc/48/21/16/388482116.db2.gz KDOIFYUYLYOJHD-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000397770418 388498242 /nfs/dbraw/zinc/49/82/42/388498242.db2.gz AFKZRAYALXSHSR-ZDUSSCGKSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CCCCC1 ZINC000397770949 388498299 /nfs/dbraw/zinc/49/82/99/388498299.db2.gz LSBIOTQHOHBTIL-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000397800466 388500391 /nfs/dbraw/zinc/50/03/91/388500391.db2.gz LFZNXJXRCXBXMU-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[NH+](C)C ZINC000397821840 388502476 /nfs/dbraw/zinc/50/24/76/388502476.db2.gz KYKDTLCDQYWHSX-MJBXVCDLSA-N 2 2 240.435 2.987 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CC2)c2ccccc21 ZINC000397827945 388503446 /nfs/dbraw/zinc/50/34/46/388503446.db2.gz BTEWOOCJDPIGSI-SWLSCSKDSA-N 2 2 244.382 2.919 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+](C)C(C)C)[C@H]1CC1(C)C ZINC000397833778 388504326 /nfs/dbraw/zinc/50/43/26/388504326.db2.gz SHFBOUNUMDWCQD-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)[C@H]1CC1(C)C ZINC000397833778 388504328 /nfs/dbraw/zinc/50/43/28/388504328.db2.gz SHFBOUNUMDWCQD-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000397847011 388504954 /nfs/dbraw/zinc/50/49/54/388504954.db2.gz IOFVQGWXEBJJCZ-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397887556 388508900 /nfs/dbraw/zinc/50/89/00/388508900.db2.gz OFEALXDYAZDTLC-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@@H]1CC1(C)C ZINC000397905729 388510441 /nfs/dbraw/zinc/51/04/41/388510441.db2.gz VSCAXRHOFSDLRW-QWHCGFSZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@H](C)[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000548097445 388511101 /nfs/dbraw/zinc/51/11/01/388511101.db2.gz STPAPBWZPDZDES-BETUJISGSA-N 2 2 241.338 2.855 20 0 BFADLP C[C@@H]1C[C@H](C)[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000548097445 388511102 /nfs/dbraw/zinc/51/11/02/388511102.db2.gz STPAPBWZPDZDES-BETUJISGSA-N 2 2 241.338 2.855 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000397974297 388513460 /nfs/dbraw/zinc/51/34/60/388513460.db2.gz IXIGVQUFOTXUHX-CYBMUJFWSA-N 2 2 232.371 2.740 20 0 BFADLP C/C(Cl)=C/C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000528429166 388523040 /nfs/dbraw/zinc/52/30/40/388523040.db2.gz GDPMPTUPUZZZKG-QCDXTXTGSA-N 2 2 242.794 2.689 20 0 BFADLP C/C(Cl)=C/C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000528429166 388523042 /nfs/dbraw/zinc/52/30/42/388523042.db2.gz GDPMPTUPUZZZKG-QCDXTXTGSA-N 2 2 242.794 2.689 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CC1CC(C)(C)C1 ZINC000528430045 388523167 /nfs/dbraw/zinc/52/31/67/388523167.db2.gz SPWGCNLOWIWRKF-UHFFFAOYSA-N 2 2 235.375 2.641 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CC1CC(C)(C)C1 ZINC000528430045 388523170 /nfs/dbraw/zinc/52/31/70/388523170.db2.gz SPWGCNLOWIWRKF-UHFFFAOYSA-N 2 2 235.375 2.641 20 0 BFADLP C/C(Cl)=C/C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000528427171 388523473 /nfs/dbraw/zinc/52/34/73/388523473.db2.gz VJMADSBYRNPTPW-SGAXSIHGSA-N 2 2 239.750 2.732 20 0 BFADLP C/C(Cl)=C/C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000528512532 388536659 /nfs/dbraw/zinc/53/66/59/388536659.db2.gz LZZSGXFMFXQVKX-VEIWZVCTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000528512532 388536661 /nfs/dbraw/zinc/53/66/61/388536661.db2.gz LZZSGXFMFXQVKX-VEIWZVCTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000528512532 388536663 /nfs/dbraw/zinc/53/66/63/388536663.db2.gz LZZSGXFMFXQVKX-VEIWZVCTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000528512532 388536665 /nfs/dbraw/zinc/53/66/65/388536665.db2.gz LZZSGXFMFXQVKX-VEIWZVCTSA-N 2 2 242.794 2.547 20 0 BFADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000245867599 388608001 /nfs/dbraw/zinc/60/80/01/388608001.db2.gz QQIBWWXWZNWMJI-KGLIPLIRSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000245867599 388608003 /nfs/dbraw/zinc/60/80/03/388608003.db2.gz QQIBWWXWZNWMJI-KGLIPLIRSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884864 388567892 /nfs/dbraw/zinc/56/78/92/388567892.db2.gz LIUYHJKVYZBJDH-XQLPTFJDSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000548884864 388567895 /nfs/dbraw/zinc/56/78/95/388567895.db2.gz LIUYHJKVYZBJDH-XQLPTFJDSA-N 2 2 236.403 2.639 20 0 BFADLP CC1=CC[C@@H]([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000552085416 388668175 /nfs/dbraw/zinc/66/81/75/388668175.db2.gz BGQJTTQVOFPADF-CQSZACIVSA-N 2 2 233.359 2.752 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000247957823 388671646 /nfs/dbraw/zinc/67/16/46/388671646.db2.gz FUYVUNKUIRVBKK-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1(C)CC1 ZINC000247957823 388671649 /nfs/dbraw/zinc/67/16/49/388671649.db2.gz FUYVUNKUIRVBKK-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCC(C)(C)C2)n1C ZINC000521646261 388621231 /nfs/dbraw/zinc/62/12/31/388621231.db2.gz RXTMDRQLHQFQJE-GFCCVEGCSA-N 2 2 235.375 2.787 20 0 BFADLP Cc1cc(F)ccc1C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178753 388621549 /nfs/dbraw/zinc/62/15/49/388621549.db2.gz QIGQGAYZBFEEFW-CQSZACIVSA-N 2 2 248.345 2.508 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC000530213541 388627677 /nfs/dbraw/zinc/62/76/77/388627677.db2.gz WSNQQGXHWSHCAO-YPMHNXCESA-N 2 2 224.392 2.624 20 0 BFADLP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC000530213541 388627678 /nfs/dbraw/zinc/62/76/78/388627678.db2.gz WSNQQGXHWSHCAO-YPMHNXCESA-N 2 2 224.392 2.624 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154594539 388632102 /nfs/dbraw/zinc/63/21/02/388632102.db2.gz CVYHJPOTTNNGMZ-HZSPNIEDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154594539 388632105 /nfs/dbraw/zinc/63/21/05/388632105.db2.gz CVYHJPOTTNNGMZ-HZSPNIEDSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000154627325 388638604 /nfs/dbraw/zinc/63/86/04/388638604.db2.gz LFSOJRKSNLXIAX-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000154627325 388638607 /nfs/dbraw/zinc/63/86/07/388638607.db2.gz LFSOJRKSNLXIAX-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC2C(C)(C)C2(C)C)n1C ZINC000521900704 388640893 /nfs/dbraw/zinc/64/08/93/388640893.db2.gz VHBHGCVYOLSIQZ-UHFFFAOYSA-N 2 2 235.375 2.500 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC=C(C)CC1)C1CC1 ZINC000551986682 388652820 /nfs/dbraw/zinc/65/28/20/388652820.db2.gz ITGKSGSAMZJJGU-CYBMUJFWSA-N 2 2 222.376 2.559 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC=C(C)CC1)C1CC1 ZINC000551986682 388652822 /nfs/dbraw/zinc/65/28/22/388652822.db2.gz ITGKSGSAMZJJGU-CYBMUJFWSA-N 2 2 222.376 2.559 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000246858564 388653494 /nfs/dbraw/zinc/65/34/94/388653494.db2.gz CVYHJPOTTNNGMZ-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000246858564 388653496 /nfs/dbraw/zinc/65/34/96/388653496.db2.gz CVYHJPOTTNNGMZ-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000538351362 388685491 /nfs/dbraw/zinc/68/54/91/388685491.db2.gz VKRGEERWMQDBRA-UHFFFAOYSA-N 2 2 235.375 2.926 20 0 BFADLP CCC(CC)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000538351362 388685492 /nfs/dbraw/zinc/68/54/92/388685492.db2.gz VKRGEERWMQDBRA-UHFFFAOYSA-N 2 2 235.375 2.926 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000248995483 388703335 /nfs/dbraw/zinc/70/33/35/388703335.db2.gz LXVAQSKELUHXMI-YRGRVCCFSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CCC1CC1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000248995483 388703337 /nfs/dbraw/zinc/70/33/37/388703337.db2.gz LXVAQSKELUHXMI-YRGRVCCFSA-N 2 2 236.403 2.780 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000251856530 388756096 /nfs/dbraw/zinc/75/60/96/388756096.db2.gz NVJMTGSGOJQLDQ-IUODEOHRSA-N 2 2 232.371 2.591 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000251856530 388756098 /nfs/dbraw/zinc/75/60/98/388756098.db2.gz NVJMTGSGOJQLDQ-IUODEOHRSA-N 2 2 232.371 2.591 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000554086594 388800161 /nfs/dbraw/zinc/80/01/61/388800161.db2.gz XXDFBPZWSNZQCI-UGQVUOCMSA-N 2 2 246.398 2.718 20 0 BFADLP Cc1cccn2c(C[NH2+]C(C)(C)C3CC3)c[nH+]c12 ZINC000539528199 388763534 /nfs/dbraw/zinc/76/35/34/388763534.db2.gz IJFCHNGDZVENMZ-UHFFFAOYSA-N 2 2 243.354 2.921 20 0 BFADLP Fc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672970 388770377 /nfs/dbraw/zinc/77/03/77/388770377.db2.gz FTQGSASMJYYCPY-KBPBESRZSA-N 2 2 248.345 2.542 20 0 BFADLP Fc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252672970 388770380 /nfs/dbraw/zinc/77/03/80/388770380.db2.gz FTQGSASMJYYCPY-KBPBESRZSA-N 2 2 248.345 2.542 20 0 BFADLP CCCC[C@H](CC)[NH2+]CC[NH+](CC)CC ZINC000068985444 388818481 /nfs/dbraw/zinc/81/84/81/388818481.db2.gz DLKUEIWSVCPUJR-ZDUSSCGKSA-N 2 2 214.397 2.887 20 0 BFADLP CC(C)C1CC([NH2+][C@H](C)C[NH+]2CCCCC2)C1 ZINC000232539418 388853462 /nfs/dbraw/zinc/85/34/62/388853462.db2.gz WSQLFWGGWHBLMW-WLYUNCDWSA-N 2 2 238.419 2.885 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@@H+]2CC1CCCCC1 ZINC000565220313 388928502 /nfs/dbraw/zinc/92/85/02/388928502.db2.gz CULXUEQVTSUGHO-UHFFFAOYSA-N 2 2 236.403 2.770 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@H+]2CC1CCCCC1 ZINC000565220313 388928505 /nfs/dbraw/zinc/92/85/05/388928505.db2.gz CULXUEQVTSUGHO-UHFFFAOYSA-N 2 2 236.403 2.770 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)n1C ZINC000565371921 388940127 /nfs/dbraw/zinc/94/01/27/388940127.db2.gz LNFUQIHMIJFPHJ-AAEUAGOBSA-N 2 2 235.375 2.644 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CC1(C)C ZINC000289079646 388990515 /nfs/dbraw/zinc/99/05/15/388990515.db2.gz DCLKADCCBNKNNQ-ZDUSSCGKSA-N 2 2 218.344 2.711 20 0 BFADLP C(C[N@@H+]1CC[NH+]2CCC1CC2)C1CCCCC1 ZINC000349303930 533360948 /nfs/dbraw/zinc/36/09/48/533360948.db2.gz ZSFSNZMRWABBJS-UHFFFAOYSA-N 2 2 236.403 2.737 20 0 BFADLP C(C[N@H+]1CC[NH+]2CCC1CC2)C1CCCCC1 ZINC000349303930 533360952 /nfs/dbraw/zinc/36/09/52/533360952.db2.gz ZSFSNZMRWABBJS-UHFFFAOYSA-N 2 2 236.403 2.737 20 0 BFADLP C[C@@H]([NH2+]Cc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000400355587 533459291 /nfs/dbraw/zinc/45/92/91/533459291.db2.gz OKTOKJAMVKMUAD-MFKMUULPSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]([NH2+]Cc1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000400355589 533460222 /nfs/dbraw/zinc/46/02/22/533460222.db2.gz OKTOKJAMVKMUAD-ZWNOBZJWSA-N 2 2 238.762 2.570 20 0 BFADLP CC(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000040492892 132348275 /nfs/dbraw/zinc/34/82/75/132348275.db2.gz ZQINLMWCRDRCBG-UHFFFAOYSA-N 2 2 247.386 2.686 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000336171075 134115093 /nfs/dbraw/zinc/11/50/93/134115093.db2.gz BXNJOCKMGSRPJU-ZWNOBZJWSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000336171075 134115094 /nfs/dbraw/zinc/11/50/94/134115094.db2.gz BXNJOCKMGSRPJU-ZWNOBZJWSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+]CC[C@H](C)c1ccccc1 ZINC000168616242 134232231 /nfs/dbraw/zinc/23/22/31/134232231.db2.gz ZCTIMBVEGNCSNJ-UONOGXRCSA-N 2 2 234.387 2.720 20 0 BFADLP C[C@H](CC[NH2+][C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000168616150 134232281 /nfs/dbraw/zinc/23/22/81/134232281.db2.gz ZCTIMBVEGNCSNJ-KGLIPLIRSA-N 2 2 234.387 2.720 20 0 BFADLP C[C@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000218925829 134268891 /nfs/dbraw/zinc/26/88/91/134268891.db2.gz YVUZCIUHEVVVAO-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+]C[C@@H]1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000218925829 134268892 /nfs/dbraw/zinc/26/88/92/134268892.db2.gz YVUZCIUHEVVVAO-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000174317837 134280491 /nfs/dbraw/zinc/28/04/91/134280491.db2.gz KVTSSUHHMFCBBO-MGPQQGTHSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000178309170 134308343 /nfs/dbraw/zinc/30/83/43/134308343.db2.gz RVMZTXUUZVMBRR-CJNGLKHVSA-N 2 2 244.382 2.605 20 0 BFADLP CC(C)=CC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000178771721 134311270 /nfs/dbraw/zinc/31/12/70/134311270.db2.gz BAYUVPQWMYCFIN-UHFFFAOYSA-N 2 2 245.370 2.606 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220644333 134311542 /nfs/dbraw/zinc/31/15/42/134311542.db2.gz HAWJIKLPSLVCBJ-XJFOESAGSA-N 2 2 235.375 2.686 20 0 BFADLP CCC1([NH2+]Cc2cccc3[nH+]ccn32)CCC1 ZINC000179429004 134320606 /nfs/dbraw/zinc/32/06/06/134320606.db2.gz QHJMKAXAIKSOEH-UHFFFAOYSA-N 2 2 229.327 2.757 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000221671535 134325670 /nfs/dbraw/zinc/32/56/70/134325670.db2.gz QRKNMZSPZNFYGO-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)o1 ZINC000221783237 134326309 /nfs/dbraw/zinc/32/63/09/134326309.db2.gz RZIRFKIKMWMNHI-DRZSPHRISA-N 2 2 236.359 2.721 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000221783237 134326310 /nfs/dbraw/zinc/32/63/10/134326310.db2.gz RZIRFKIKMWMNHI-DRZSPHRISA-N 2 2 236.359 2.721 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000226770248 134370850 /nfs/dbraw/zinc/37/08/50/134370850.db2.gz ISDUZGFIFHCGNE-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000226770248 134370851 /nfs/dbraw/zinc/37/08/51/134370851.db2.gz ISDUZGFIFHCGNE-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000227196768 134375069 /nfs/dbraw/zinc/37/50/69/134375069.db2.gz YYHSGFNOKHVEGG-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1cccc(C(F)F)c1 ZINC000156106664 134707648 /nfs/dbraw/zinc/70/76/48/134707648.db2.gz MUFCSTNXCAMLKJ-LBPRGKRZSA-N 2 2 240.297 2.547 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1cccc(C(F)F)c1 ZINC000156106664 134707649 /nfs/dbraw/zinc/70/76/49/134707649.db2.gz MUFCSTNXCAMLKJ-LBPRGKRZSA-N 2 2 240.297 2.547 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C1CCC(C)(C)CC1 ZINC000070653855 135005626 /nfs/dbraw/zinc/00/56/26/135005626.db2.gz DHRILUGNBRDLHF-UHFFFAOYSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[N@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@H]21 ZINC000248420555 135008551 /nfs/dbraw/zinc/00/85/51/135008551.db2.gz LUKYMYHFIQEZBR-QLFBSQMISA-N 2 2 247.386 2.784 20 0 BFADLP C[C@@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@@H]2CCCC[C@H]21 ZINC000248420555 135008553 /nfs/dbraw/zinc/00/85/53/135008553.db2.gz LUKYMYHFIQEZBR-QLFBSQMISA-N 2 2 247.386 2.784 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000248428529 135009464 /nfs/dbraw/zinc/00/94/64/135009464.db2.gz RPMDWOWTQCQQQX-RRFJBIMHSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000248428529 135009467 /nfs/dbraw/zinc/00/94/67/135009467.db2.gz RPMDWOWTQCQQQX-RRFJBIMHSA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@H](C)C1)[NH+](C)C ZINC000070760267 135012120 /nfs/dbraw/zinc/01/21/20/135012120.db2.gz ZJMNSHMLDSMPJY-MELADBBJSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000070762171 135013309 /nfs/dbraw/zinc/01/33/09/135013309.db2.gz LUQOGRZGTRRCRA-KBPBESRZSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000249309422 135042636 /nfs/dbraw/zinc/04/26/36/135042636.db2.gz LBDBBBJMSPBARC-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000249763195 135044645 /nfs/dbraw/zinc/04/46/45/135044645.db2.gz XTEXEUITGOHLCO-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000249763195 135044646 /nfs/dbraw/zinc/04/46/46/135044646.db2.gz XTEXEUITGOHLCO-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000250381097 135052794 /nfs/dbraw/zinc/05/27/94/135052794.db2.gz WYCQWLHHJPRKBL-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000250381097 135052797 /nfs/dbraw/zinc/05/27/97/135052797.db2.gz WYCQWLHHJPRKBL-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000250381094 135053229 /nfs/dbraw/zinc/05/32/29/135053229.db2.gz WYCQWLHHJPRKBL-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000250381094 135053230 /nfs/dbraw/zinc/05/32/30/135053230.db2.gz WYCQWLHHJPRKBL-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@H]1C ZINC000252093313 135083941 /nfs/dbraw/zinc/08/39/41/135083941.db2.gz FAJAIYBFXFUFGT-HZSPNIEDSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)[C@H]1C ZINC000252135470 135084493 /nfs/dbraw/zinc/08/44/93/135084493.db2.gz LKPDNHRXLUKKTL-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1C ZINC000252186407 135086834 /nfs/dbraw/zinc/08/68/34/135086834.db2.gz QWTAULCUXHCVLO-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000252205793 135087018 /nfs/dbraw/zinc/08/70/18/135087018.db2.gz XDDAEJVJCCODAP-XJFOESAGSA-N 2 2 235.375 2.686 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000086855766 135098375 /nfs/dbraw/zinc/09/83/75/135098375.db2.gz RCRLZCRQSYTNMW-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC1(C)C ZINC000086855766 135098376 /nfs/dbraw/zinc/09/83/76/135098376.db2.gz RCRLZCRQSYTNMW-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)CCC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000086857079 135099897 /nfs/dbraw/zinc/09/98/97/135099897.db2.gz HZYOGSZLUZEGOG-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000252739180 135105448 /nfs/dbraw/zinc/10/54/48/135105448.db2.gz HGASGHOPPCJTLW-XJFOESAGSA-N 2 2 226.408 2.741 20 0 BFADLP CC1(C[N@H+](CC[NH3+])Cc2ccccc2)CCC1 ZINC000261533500 135164937 /nfs/dbraw/zinc/16/49/37/135164937.db2.gz BDYLWDVNPGCYGR-UHFFFAOYSA-N 2 2 232.371 2.638 20 0 BFADLP CC1(C[N@@H+](CC[NH3+])Cc2ccccc2)CCC1 ZINC000261533500 135164938 /nfs/dbraw/zinc/16/49/38/135164938.db2.gz BDYLWDVNPGCYGR-UHFFFAOYSA-N 2 2 232.371 2.638 20 0 BFADLP C[C@H]1C[N@H+](Cc2csc3ccccc23)C[C@H]1[NH3+] ZINC000261541336 135181060 /nfs/dbraw/zinc/18/10/60/135181060.db2.gz JYKRUONSURZMHI-GXFFZTMASA-N 2 2 246.379 2.680 20 0 BFADLP C[C@H]1C[N@@H+](Cc2csc3ccccc23)C[C@H]1[NH3+] ZINC000261541336 135181062 /nfs/dbraw/zinc/18/10/62/135181062.db2.gz JYKRUONSURZMHI-GXFFZTMASA-N 2 2 246.379 2.680 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261551183 135190544 /nfs/dbraw/zinc/19/05/44/135190544.db2.gz SVJXDOQFADSKFR-CZUORRHYSA-N 2 2 246.398 2.664 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261551183 135190546 /nfs/dbraw/zinc/19/05/46/135190546.db2.gz SVJXDOQFADSKFR-CZUORRHYSA-N 2 2 246.398 2.664 20 0 BFADLP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H](C)[NH3+] ZINC000261555837 135195860 /nfs/dbraw/zinc/19/58/60/135195860.db2.gz QCSKHBYGZBFDPS-WDEREUQCSA-N 2 2 232.327 2.773 20 0 BFADLP C[C@H](c1cc2ccccc2o1)[N@H+](C)C[C@H](C)[NH3+] ZINC000261555837 135195862 /nfs/dbraw/zinc/19/58/62/135195862.db2.gz QCSKHBYGZBFDPS-WDEREUQCSA-N 2 2 232.327 2.773 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000261555834 135196484 /nfs/dbraw/zinc/19/64/84/135196484.db2.gz QCSKHBYGZBFDPS-GHMZBOCLSA-N 2 2 232.327 2.773 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1cc2ccccc2o1 ZINC000261555834 135196485 /nfs/dbraw/zinc/19/64/85/135196485.db2.gz QCSKHBYGZBFDPS-GHMZBOCLSA-N 2 2 232.327 2.773 20 0 BFADLP C[N@@H+](CC(C)(C)[NH3+])C1CCCCCCC1 ZINC000261561511 135202533 /nfs/dbraw/zinc/20/25/33/135202533.db2.gz AQUHVLZOQKKKEQ-UHFFFAOYSA-N 2 2 212.381 2.768 20 0 BFADLP C[N@H+](CC(C)(C)[NH3+])C1CCCCCCC1 ZINC000261561511 135202532 /nfs/dbraw/zinc/20/25/32/135202532.db2.gz AQUHVLZOQKKKEQ-UHFFFAOYSA-N 2 2 212.381 2.768 20 0 BFADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccsc1Cl ZINC000261562844 135204744 /nfs/dbraw/zinc/20/47/44/135204744.db2.gz BQVBYQNIVDLEDQ-BDAKNGLRSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccsc1Cl ZINC000261562844 135204745 /nfs/dbraw/zinc/20/47/45/135204745.db2.gz BQVBYQNIVDLEDQ-BDAKNGLRSA-N 2 2 244.791 2.571 20 0 BFADLP C[NH2+]CC[N@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000261773917 135251747 /nfs/dbraw/zinc/25/17/47/135251747.db2.gz DWRMDRWIVRSJRT-NSHDSACASA-N 2 2 240.778 2.595 20 0 BFADLP C[NH2+]CC[N@@H+](C)C[C@H](C)c1cccc(Cl)c1 ZINC000261773917 135251748 /nfs/dbraw/zinc/25/17/48/135251748.db2.gz DWRMDRWIVRSJRT-NSHDSACASA-N 2 2 240.778 2.595 20 0 BFADLP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC1(C)C ZINC000342697960 135306085 /nfs/dbraw/zinc/30/60/85/135306085.db2.gz LOHZYNJVUIXZMC-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCC1(C)C ZINC000342697960 135306086 /nfs/dbraw/zinc/30/60/86/135306086.db2.gz LOHZYNJVUIXZMC-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC1(C)C ZINC000342697958 135306521 /nfs/dbraw/zinc/30/65/21/135306521.db2.gz LOHZYNJVUIXZMC-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCC1(C)C ZINC000342697958 135306522 /nfs/dbraw/zinc/30/65/22/135306522.db2.gz LOHZYNJVUIXZMC-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000081637898 135388308 /nfs/dbraw/zinc/38/83/08/135388308.db2.gz CUAQLCBVDSFTND-QLFBSQMISA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000081637898 135388309 /nfs/dbraw/zinc/38/83/09/135388309.db2.gz CUAQLCBVDSFTND-QLFBSQMISA-N 2 2 248.414 2.782 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081625088 135388355 /nfs/dbraw/zinc/38/83/55/135388355.db2.gz HFZIRPYNDSAENK-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CC([NH2+]CCCn2cc[nH+]c2)C[C@H](C)C1 ZINC000084463373 135472467 /nfs/dbraw/zinc/47/24/67/135472467.db2.gz UGDBVHYFLQPSMX-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)(C)CC[NH2+]CCCCn1cc[nH+]c1 ZINC000045106986 322843355 /nfs/dbraw/zinc/84/33/55/322843355.db2.gz BFYLYCOMBJADBG-UHFFFAOYSA-N 2 2 223.364 2.689 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000348125480 136033325 /nfs/dbraw/zinc/03/33/25/136033325.db2.gz OWGWATCGQZLYKL-UMVBOHGHSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000348125480 136033326 /nfs/dbraw/zinc/03/33/26/136033326.db2.gz OWGWATCGQZLYKL-UMVBOHGHSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+]1CCC(C)CC1 ZINC000348075003 136034125 /nfs/dbraw/zinc/03/41/25/136034125.db2.gz FFADWYVQEDLPAK-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000348091993 136035915 /nfs/dbraw/zinc/03/59/15/136035915.db2.gz ZSEWRZFMYDLZNE-CVEARBPZSA-N 2 2 246.398 2.897 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000348091993 136035916 /nfs/dbraw/zinc/03/59/16/136035916.db2.gz ZSEWRZFMYDLZNE-CVEARBPZSA-N 2 2 246.398 2.897 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000348101945 136036141 /nfs/dbraw/zinc/03/61/41/136036141.db2.gz JSWLZPUWSARXDO-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000348101945 136036142 /nfs/dbraw/zinc/03/61/42/136036142.db2.gz JSWLZPUWSARXDO-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348104212 136036865 /nfs/dbraw/zinc/03/68/65/136036865.db2.gz DHTQAKWMFXSVRT-MRVWCRGKSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000348104212 136036866 /nfs/dbraw/zinc/03/68/66/136036866.db2.gz DHTQAKWMFXSVRT-MRVWCRGKSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000348255933 136057363 /nfs/dbraw/zinc/05/73/63/136057363.db2.gz LXHAPJMIYKNSEN-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000348255933 136057364 /nfs/dbraw/zinc/05/73/64/136057364.db2.gz LXHAPJMIYKNSEN-BPLDGKMQSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H](C)c1ccon1 ZINC000348261472 136058013 /nfs/dbraw/zinc/05/80/13/136058013.db2.gz MRIYCKJJBQESBO-GFCCVEGCSA-N 2 2 245.326 2.661 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000348287933 136061688 /nfs/dbraw/zinc/06/16/88/136061688.db2.gz IREUMDYRHSZDAE-QWRGUYRKSA-N 2 2 248.361 2.740 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CCC1 ZINC000348309514 136066772 /nfs/dbraw/zinc/06/67/72/136066772.db2.gz PPMNRKCGPVCAQL-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252682065 397811295 /nfs/dbraw/zinc/81/12/95/397811295.db2.gz BOBISWXJVTWLBW-YUELXQCFSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252682065 397811300 /nfs/dbraw/zinc/81/13/00/397811300.db2.gz BOBISWXJVTWLBW-YUELXQCFSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)[NH+](C)C ZINC000449554825 397955075 /nfs/dbraw/zinc/95/50/75/397955075.db2.gz DRDHLDXJDRCCLN-RWMBFGLXSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643537744 397918827 /nfs/dbraw/zinc/91/88/27/397918827.db2.gz POXXHJMFVSWNMB-JSGCOSHPSA-N 2 2 244.398 2.737 20 0 BFADLP C[C@H](C[NH2+]CCCC1CCCCC1)[NH+](C)C ZINC000336722915 397919578 /nfs/dbraw/zinc/91/95/78/397919578.db2.gz AZEAPZLYBFLQNX-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000371528474 397994544 /nfs/dbraw/zinc/99/45/44/397994544.db2.gz MBQKUMLSJTZFGC-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000371528474 397994547 /nfs/dbraw/zinc/99/45/47/397994547.db2.gz MBQKUMLSJTZFGC-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000371528474 397994551 /nfs/dbraw/zinc/99/45/51/397994551.db2.gz MBQKUMLSJTZFGC-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000371528474 397994553 /nfs/dbraw/zinc/99/45/53/397994553.db2.gz MBQKUMLSJTZFGC-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP c1cn(CCCC2CC[NH+](CC3CC3)CC2)c[nH+]1 ZINC000361061204 397973693 /nfs/dbraw/zinc/97/36/93/397973693.db2.gz ZCSNTYMERPKOPJ-UHFFFAOYSA-N 2 2 247.386 2.785 20 0 BFADLP Cc1ccnc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)c1 ZINC000285656540 398080007 /nfs/dbraw/zinc/08/00/07/398080007.db2.gz MOCVBYPXTCOASC-CQSZACIVSA-N 2 2 247.386 2.527 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C/C=C/c2ccccc2)C1 ZINC000525800644 398122507 /nfs/dbraw/zinc/12/25/07/398122507.db2.gz WZGRWBCZAUOIRQ-PXTSUWAFSA-N 2 2 244.382 2.631 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C/C=C/c2ccccc2)C1 ZINC000525800644 398122509 /nfs/dbraw/zinc/12/25/09/398122509.db2.gz WZGRWBCZAUOIRQ-PXTSUWAFSA-N 2 2 244.382 2.631 20 0 BFADLP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](C)[NH+](C)C ZINC000252102495 322871651 /nfs/dbraw/zinc/87/16/51/322871651.db2.gz INOUCVOKNAMNPQ-LXTVHRRPSA-N 2 2 240.435 2.987 20 0 BFADLP c1sc2ccccc2c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000258807762 322875923 /nfs/dbraw/zinc/87/59/23/322875923.db2.gz DFQMBBQWTKKYQN-LBPRGKRZSA-N 2 2 246.379 2.743 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@H](C)C(C)(C)C ZINC000304332546 487594688 /nfs/dbraw/zinc/59/46/88/487594688.db2.gz UMYBEJYCZDDAFC-NWDGAFQWSA-N 2 2 223.364 2.543 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)c2ccco2)n1C ZINC000667499906 487597704 /nfs/dbraw/zinc/59/77/04/487597704.db2.gz XZBUKFXQBZEYPN-SNVBAGLBSA-N 2 2 233.315 2.515 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)c2ccco2)n1C ZINC000667499906 487597710 /nfs/dbraw/zinc/59/77/10/487597710.db2.gz XZBUKFXQBZEYPN-SNVBAGLBSA-N 2 2 233.315 2.515 20 0 BFADLP C[NH+](C)CCC[N@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674649725 487602144 /nfs/dbraw/zinc/60/21/44/487602144.db2.gz HFNZZMHJVUDADY-UHFFFAOYSA-N 2 2 245.370 2.551 20 0 BFADLP C[NH+](C)CCC[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC000674649725 487602148 /nfs/dbraw/zinc/60/21/48/487602148.db2.gz HFNZZMHJVUDADY-UHFFFAOYSA-N 2 2 245.370 2.551 20 0 BFADLP CCc1cc[nH+]cc1NC1CC[NH+](CC)CC1 ZINC000651979400 410113230 /nfs/dbraw/zinc/11/32/30/410113230.db2.gz OJAYBTICSIAFBM-UHFFFAOYSA-N 2 2 233.359 2.540 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+]C[C@H](C)C1)CC2 ZINC000650715070 410350865 /nfs/dbraw/zinc/35/08/65/410350865.db2.gz OBCRDDYXTDJFNI-IVMMDQJWSA-N 2 2 244.382 2.570 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000328148165 487616984 /nfs/dbraw/zinc/61/69/84/487616984.db2.gz CTBTXWHRVCUWNR-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC2(C)C)C1 ZINC000328148165 487616991 /nfs/dbraw/zinc/61/69/91/487616991.db2.gz CTBTXWHRVCUWNR-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC000665294951 410789358 /nfs/dbraw/zinc/78/93/58/410789358.db2.gz ZCRLQIQYGBEDKD-QWHCGFSZSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(F)c(Cl)c1 ZINC000665295017 410789968 /nfs/dbraw/zinc/78/99/68/410789968.db2.gz ZQJAUZKGIXMTAA-RKDXNWHRSA-N 2 2 244.741 2.738 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC2CCC1CC2)[NH+](C)C ZINC000394425361 410792924 /nfs/dbraw/zinc/79/29/24/410792924.db2.gz BJZXCYIDFRBYQE-APSKQVOWSA-N 2 2 238.419 2.741 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000665296238 410807166 /nfs/dbraw/zinc/80/71/66/410807166.db2.gz PDWYIDDIRFFLKH-IUCAKERBSA-N 2 2 244.741 2.738 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000665296731 410814200 /nfs/dbraw/zinc/81/42/00/410814200.db2.gz XDZAYXPMIHHHAL-TVQRCGJNSA-N 2 2 238.762 2.525 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000651225484 410870278 /nfs/dbraw/zinc/87/02/78/410870278.db2.gz CFSCAJBQRHAJNP-CVEARBPZSA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000651225484 410870284 /nfs/dbraw/zinc/87/02/84/410870284.db2.gz CFSCAJBQRHAJNP-CVEARBPZSA-N 2 2 248.414 2.639 20 0 BFADLP CC(C)C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000053650024 167007143 /nfs/dbraw/zinc/00/71/43/167007143.db2.gz LPYHXOAMPJJYPG-INIZCTEOSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000053650024 167007146 /nfs/dbraw/zinc/00/71/46/167007146.db2.gz LPYHXOAMPJJYPG-INIZCTEOSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000034991118 167007941 /nfs/dbraw/zinc/00/79/41/167007941.db2.gz XETGIJBRCCVKAU-UHFFFAOYSA-N 2 2 229.327 2.618 20 0 BFADLP CC(C)C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904520 167015136 /nfs/dbraw/zinc/01/51/36/167015136.db2.gz PEYOBPLWPJOSIR-INIZCTEOSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000036904520 167015140 /nfs/dbraw/zinc/01/51/40/167015140.db2.gz PEYOBPLWPJOSIR-INIZCTEOSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)C[NH2+]c1ccc(OCC[NH+](C)C)cc1 ZINC000037774291 167016381 /nfs/dbraw/zinc/01/63/81/167016381.db2.gz CQFVXKXPQUOBNE-UHFFFAOYSA-N 2 2 236.359 2.695 20 0 BFADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000111219079 167094125 /nfs/dbraw/zinc/09/41/25/167094125.db2.gz HZGNQYLACWCEHJ-CYBMUJFWSA-N 2 2 247.386 2.605 20 0 BFADLP CC(C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020085552 167138205 /nfs/dbraw/zinc/13/82/05/167138205.db2.gz XYHWKODIWKNTIF-GFCCVEGCSA-N 2 2 229.327 2.931 20 0 BFADLP CC(C)SCC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000290107903 167329970 /nfs/dbraw/zinc/32/99/70/167329970.db2.gz KTUNZKNLCMUXDU-UHFFFAOYSA-N 2 2 249.383 2.566 20 0 BFADLP CC(C)[C@@H](C)[NH2+]CCCCNc1cccc[nH+]1 ZINC000162849654 167381083 /nfs/dbraw/zinc/38/10/83/167381083.db2.gz PBFPJBMSIBDVBW-CYBMUJFWSA-N 2 2 235.375 2.908 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651694626 411136738 /nfs/dbraw/zinc/13/67/38/411136738.db2.gz KQOYFMFSHZAYMV-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651694626 411136739 /nfs/dbraw/zinc/13/67/39/411136739.db2.gz KQOYFMFSHZAYMV-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000651767837 411142831 /nfs/dbraw/zinc/14/28/31/411142831.db2.gz MYHCGKPJNKHHKG-RDBSUJKOSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000651832780 411147037 /nfs/dbraw/zinc/14/70/37/411147037.db2.gz CMJHMQVAEZBWHI-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[N@H+](Cc2cscc2Cl)CC[C@@H]1[NH3+] ZINC000309372246 411113735 /nfs/dbraw/zinc/11/37/35/411113735.db2.gz CEIMWURSYPPHJM-KWQFWETISA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@@H+](Cc2cscc2Cl)CC[C@@H]1[NH3+] ZINC000309372246 411113738 /nfs/dbraw/zinc/11/37/38/411113738.db2.gz CEIMWURSYPPHJM-KWQFWETISA-N 2 2 244.791 2.571 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094773 411243081 /nfs/dbraw/zinc/24/30/81/411243081.db2.gz ASFWSFGKCMDHTA-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094773 411243086 /nfs/dbraw/zinc/24/30/86/411243086.db2.gz ASFWSFGKCMDHTA-JHJVBQTASA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](C(C)(C)C)C2)C1 ZINC000658095449 411243470 /nfs/dbraw/zinc/24/34/70/411243470.db2.gz HEVCKEVBZUQGCM-MOKVOYLWSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C1CC([NH2+][C@H]2CC[N@H+](C(C)(C)C)C2)C1 ZINC000658095449 411243473 /nfs/dbraw/zinc/24/34/73/411243473.db2.gz HEVCKEVBZUQGCM-MOKVOYLWSA-N 2 2 238.419 2.883 20 0 BFADLP c1cn([C@H]2CCC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)c[nH+]1 ZINC000659883486 411186871 /nfs/dbraw/zinc/18/68/71/411186871.db2.gz USGHRPFPTIHIHU-XGUBFFRZSA-N 2 2 245.370 2.566 20 0 BFADLP c1cn([C@H]2CCC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)c[nH+]1 ZINC000659883486 411186874 /nfs/dbraw/zinc/18/68/74/411186874.db2.gz USGHRPFPTIHIHU-XGUBFFRZSA-N 2 2 245.370 2.566 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000658096926 411244560 /nfs/dbraw/zinc/24/45/60/411244560.db2.gz UOVQCGIIWGUJME-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000658096926 411244563 /nfs/dbraw/zinc/24/45/63/411244563.db2.gz UOVQCGIIWGUJME-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000658096922 411244709 /nfs/dbraw/zinc/24/47/09/411244709.db2.gz UOVQCGIIWGUJME-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CCC2(C)C)C1 ZINC000658096922 411244711 /nfs/dbraw/zinc/24/47/11/411244711.db2.gz UOVQCGIIWGUJME-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@@H]2CC2CCCC2)c[nH+]1 ZINC000653893145 411211355 /nfs/dbraw/zinc/21/13/55/411211355.db2.gz VDTOXUFESHVXQC-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@@H]2CC2CCCC2)c[nH+]1 ZINC000653893145 411211358 /nfs/dbraw/zinc/21/13/58/411211358.db2.gz VDTOXUFESHVXQC-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000656225156 411215431 /nfs/dbraw/zinc/21/54/31/411215431.db2.gz DUTUGEKJPDVNPZ-ZIAGYGMSSA-N 2 2 245.370 2.819 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000656225156 411215434 /nfs/dbraw/zinc/21/54/34/411215434.db2.gz DUTUGEKJPDVNPZ-ZIAGYGMSSA-N 2 2 245.370 2.819 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057582 411222709 /nfs/dbraw/zinc/22/27/09/411222709.db2.gz PIDRSCSMYXNDKU-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057582 411222711 /nfs/dbraw/zinc/22/27/11/411222711.db2.gz PIDRSCSMYXNDKU-YPMHNXCESA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057576 411222814 /nfs/dbraw/zinc/22/28/14/411222814.db2.gz PIDRSCSMYXNDKU-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057576 411222817 /nfs/dbraw/zinc/22/28/17/411222817.db2.gz PIDRSCSMYXNDKU-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658059252 411225159 /nfs/dbraw/zinc/22/51/59/411225159.db2.gz WNMLPFCIQHAXHI-XQQFMLRXSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658059252 411225163 /nfs/dbraw/zinc/22/51/63/411225163.db2.gz WNMLPFCIQHAXHI-XQQFMLRXSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCC1 ZINC000656277431 411228081 /nfs/dbraw/zinc/22/80/81/411228081.db2.gz MZUBFZFFJWELRQ-QEJZJMRPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCC1 ZINC000656277431 411228084 /nfs/dbraw/zinc/22/80/84/411228084.db2.gz MZUBFZFFJWELRQ-QEJZJMRPSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000658062993 411229715 /nfs/dbraw/zinc/22/97/15/411229715.db2.gz UOICGEJCDRDKPN-IGQOVBAYSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000658062993 411229716 /nfs/dbraw/zinc/22/97/16/411229716.db2.gz UOICGEJCDRDKPN-IGQOVBAYSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC000658090023 411241190 /nfs/dbraw/zinc/24/11/90/411241190.db2.gz CWQMQDVJMZNQDH-CHWSQXEVSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000658090023 411241192 /nfs/dbraw/zinc/24/11/92/411241192.db2.gz CWQMQDVJMZNQDH-CHWSQXEVSA-N 2 2 226.408 2.883 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660147159 411262416 /nfs/dbraw/zinc/26/24/16/411262416.db2.gz MTRATZRHZTWFIE-QLFBSQMISA-N 2 2 247.386 2.641 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660147159 411262419 /nfs/dbraw/zinc/26/24/19/411262419.db2.gz MTRATZRHZTWFIE-QLFBSQMISA-N 2 2 247.386 2.641 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1cccnc1 ZINC000656675638 411321288 /nfs/dbraw/zinc/32/12/88/411321288.db2.gz HOZQVECBOVIXHN-GXTWGEPZSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1cccnc1 ZINC000656675638 411321291 /nfs/dbraw/zinc/32/12/91/411321291.db2.gz HOZQVECBOVIXHN-GXTWGEPZSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccncc2)C1 ZINC000658286122 411323258 /nfs/dbraw/zinc/32/32/58/411323258.db2.gz OWKRARNXDOCDOA-HUUCEWRRSA-N 2 2 247.386 2.607 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](CC)c2ccncc2)C1 ZINC000658286122 411323261 /nfs/dbraw/zinc/32/32/61/411323261.db2.gz OWKRARNXDOCDOA-HUUCEWRRSA-N 2 2 247.386 2.607 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1cccc(C(C)C)c1 ZINC000629558960 411324549 /nfs/dbraw/zinc/32/45/49/411324549.db2.gz OIDOUGYAWBLPNR-UHFFFAOYSA-N 2 2 220.360 2.591 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1cccc(C(C)C)c1 ZINC000629558960 411324553 /nfs/dbraw/zinc/32/45/53/411324553.db2.gz OIDOUGYAWBLPNR-UHFFFAOYSA-N 2 2 220.360 2.591 20 0 BFADLP Cc1cc2c(c(C)c1)[C@H]([NH2+][C@@H](C)C[NH+](C)C)CC2 ZINC000655769475 411251407 /nfs/dbraw/zinc/25/14/07/411251407.db2.gz ZDRNSGKZDUSGJF-DZGCQCFKSA-N 2 2 246.398 2.830 20 0 BFADLP Cc1ccoc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000127757168 411253164 /nfs/dbraw/zinc/25/31/64/411253164.db2.gz IZIKITBJHURDCD-UHFFFAOYSA-N 2 2 248.370 2.648 20 0 BFADLP C[C@@H](C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+])C(C)(C)C ZINC000304241587 411355343 /nfs/dbraw/zinc/35/53/43/411355343.db2.gz DINYBVPHWPXCIH-RWMBFGLXSA-N 2 2 226.408 2.870 20 0 BFADLP C[C@@H](C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+])C(C)(C)C ZINC000304241587 411355348 /nfs/dbraw/zinc/35/53/48/411355348.db2.gz DINYBVPHWPXCIH-RWMBFGLXSA-N 2 2 226.408 2.870 20 0 BFADLP CCC[N@H+](C[C@H](C)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000304306993 411359304 /nfs/dbraw/zinc/35/93/04/411359304.db2.gz PWVCMHJQZNVHPT-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+](C[C@H](C)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000304306993 411359307 /nfs/dbraw/zinc/35/93/07/411359307.db2.gz PWVCMHJQZNVHPT-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[NH2+]CC[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000656787108 411365605 /nfs/dbraw/zinc/36/56/05/411365605.db2.gz TYTCZLBAZBCKFT-UHFFFAOYSA-N 2 2 232.371 2.653 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C[C@@H](C)[NH+](C)C ZINC000336746571 168102919 /nfs/dbraw/zinc/10/29/19/168102919.db2.gz RMJKUDRURPLWMU-BFHYXJOUSA-N 2 2 224.392 2.519 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)Cn2cc[nH+]c2)C1 ZINC000235149171 168130305 /nfs/dbraw/zinc/13/03/05/168130305.db2.gz FRCGHERATXGAHH-QEJZJMRPSA-N 2 2 247.386 2.854 20 0 BFADLP CC(C)=CCC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000662233537 411381442 /nfs/dbraw/zinc/38/14/42/411381442.db2.gz GOLPSACXCFCHFL-CHWSQXEVSA-N 2 2 210.365 2.544 20 0 BFADLP CC(C)=CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000662233537 411381446 /nfs/dbraw/zinc/38/14/46/411381446.db2.gz GOLPSACXCFCHFL-CHWSQXEVSA-N 2 2 210.365 2.544 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C1CCC(C)CC1 ZINC000053343133 168162744 /nfs/dbraw/zinc/16/27/44/168162744.db2.gz ZTNAOBCYRAZQMO-MOKVOYLWSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C1CCC(C)CC1 ZINC000053343133 168162747 /nfs/dbraw/zinc/16/27/47/168162747.db2.gz ZTNAOBCYRAZQMO-MOKVOYLWSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000122312393 168165824 /nfs/dbraw/zinc/16/58/24/168165824.db2.gz PAYYGRQVDPHMMV-HHTDUIENSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000122312393 168165827 /nfs/dbraw/zinc/16/58/27/168165827.db2.gz PAYYGRQVDPHMMV-HHTDUIENSA-N 2 2 236.403 2.780 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657306067 411458279 /nfs/dbraw/zinc/45/82/79/411458279.db2.gz XVRFZYBADIVQCA-GXTWGEPZSA-N 2 2 247.386 2.888 20 0 BFADLP CC(C)C[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653526552 411418443 /nfs/dbraw/zinc/41/84/43/411418443.db2.gz GJCILOHZDDVFBH-AWEZNQCLSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)C[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653526552 411418446 /nfs/dbraw/zinc/41/84/46/411418446.db2.gz GJCILOHZDDVFBH-AWEZNQCLSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@H]1CCC[C@H](C)[NH+]1CCCc1c[nH+]cn1C ZINC000653554430 411419895 /nfs/dbraw/zinc/41/98/95/411419895.db2.gz CTBWPIPSKFLMOR-STQMWFEESA-N 2 2 235.375 2.616 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000275479032 411440260 /nfs/dbraw/zinc/44/02/60/411440260.db2.gz JVBXZVLOEQADJD-FVQBIDKESA-N 2 2 246.398 2.862 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@@H](C)C1 ZINC000657358995 411476224 /nfs/dbraw/zinc/47/62/24/411476224.db2.gz OSTXGQGYKMJDNP-MBNYWOFBSA-N 2 2 247.386 2.744 20 0 BFADLP C1=CCC(C[N@@H+]2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000659872505 411483797 /nfs/dbraw/zinc/48/37/97/411483797.db2.gz CZCUJFJODPTIJV-INIZCTEOSA-N 2 2 248.414 2.903 20 0 BFADLP C1=CCC(C[N@H+]2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000659872505 411483800 /nfs/dbraw/zinc/48/38/00/411483800.db2.gz CZCUJFJODPTIJV-INIZCTEOSA-N 2 2 248.414 2.903 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657376764 411485482 /nfs/dbraw/zinc/48/54/82/411485482.db2.gz JMGBXTBGCNDFJX-RYUDHWBXSA-N 2 2 235.375 2.744 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)[C@@H]1CC1(C)C ZINC000657494448 411533481 /nfs/dbraw/zinc/53/34/81/411533481.db2.gz OGRLOYPBCDPIGI-STQMWFEESA-N 2 2 247.386 2.744 20 0 BFADLP Cc1cccn2c(C[NH2+]CCCC3CC3)c[nH+]c12 ZINC000608057553 411497419 /nfs/dbraw/zinc/49/74/19/411497419.db2.gz GIOWZUWEBPHBBH-UHFFFAOYSA-N 2 2 243.354 2.923 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)[nH]1 ZINC000660078414 411534185 /nfs/dbraw/zinc/53/41/85/411534185.db2.gz UVQAXQXBDLTNCD-FQUUOJAGSA-N 2 2 245.370 2.635 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3C[C@H]4C[C@H]4C3)C2)[nH]1 ZINC000660078414 411534187 /nfs/dbraw/zinc/53/41/87/411534187.db2.gz UVQAXQXBDLTNCD-FQUUOJAGSA-N 2 2 245.370 2.635 20 0 BFADLP C1=CCC(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000660077786 411534279 /nfs/dbraw/zinc/53/42/79/411534279.db2.gz PXEJEJNRTHBHFI-CYBMUJFWSA-N 2 2 231.343 2.555 20 0 BFADLP C1=CCC(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)C1 ZINC000660077786 411534282 /nfs/dbraw/zinc/53/42/82/411534282.db2.gz PXEJEJNRTHBHFI-CYBMUJFWSA-N 2 2 231.343 2.555 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C[C@@H]1C ZINC000657435055 411507222 /nfs/dbraw/zinc/50/72/22/411507222.db2.gz KYOZCJDDLLMULX-AGIUHOORSA-N 2 2 247.386 2.744 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)C[C@H]1C ZINC000657435059 411507458 /nfs/dbraw/zinc/50/74/58/411507458.db2.gz KYOZCJDDLLMULX-JHJVBQTASA-N 2 2 247.386 2.744 20 0 BFADLP CCC1([NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000657478781 411525842 /nfs/dbraw/zinc/52/58/42/411525842.db2.gz OIBWKJCIFDIOEO-UHFFFAOYSA-N 2 2 233.359 2.642 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)C1CCCC1 ZINC000657484991 411530362 /nfs/dbraw/zinc/53/03/62/411530362.db2.gz HZIHTIBRPGDQFW-CQSZACIVSA-N 2 2 247.386 2.888 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCCC(C)C)C1 ZINC000328441167 170014569 /nfs/dbraw/zinc/01/45/69/170014569.db2.gz ASGLXSJOQQMXAG-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCCC(C)C)C1 ZINC000328441167 170014570 /nfs/dbraw/zinc/01/45/70/170014570.db2.gz ASGLXSJOQQMXAG-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCCC(C)C)C1 ZINC000328441164 170023124 /nfs/dbraw/zinc/02/31/24/170023124.db2.gz ASGLXSJOQQMXAG-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCCC(C)C)C1 ZINC000328441164 170023126 /nfs/dbraw/zinc/02/31/26/170023126.db2.gz ASGLXSJOQQMXAG-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccoc1C ZINC000334836081 170023961 /nfs/dbraw/zinc/02/39/61/170023961.db2.gz LIGZOZAAYYTXSK-CABCVRRESA-N 2 2 248.370 2.647 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccoc1C ZINC000334836081 170023963 /nfs/dbraw/zinc/02/39/63/170023963.db2.gz LIGZOZAAYYTXSK-CABCVRRESA-N 2 2 248.370 2.647 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccoc1C ZINC000334836081 170023965 /nfs/dbraw/zinc/02/39/65/170023965.db2.gz LIGZOZAAYYTXSK-CABCVRRESA-N 2 2 248.370 2.647 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccoc1C ZINC000334836081 170023967 /nfs/dbraw/zinc/02/39/67/170023967.db2.gz LIGZOZAAYYTXSK-CABCVRRESA-N 2 2 248.370 2.647 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC(C)C)CC2)C1 ZINC000358387385 170030805 /nfs/dbraw/zinc/03/08/05/170030805.db2.gz BMEVPAJXOLKKRX-KGLIPLIRSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CC2(CC(C)C)CC2)C1 ZINC000358387385 170030806 /nfs/dbraw/zinc/03/08/06/170030806.db2.gz BMEVPAJXOLKKRX-KGLIPLIRSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657522375 411540412 /nfs/dbraw/zinc/54/04/12/411540412.db2.gz BEPNVFVZKGTYBM-STQMWFEESA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657522375 411540414 /nfs/dbraw/zinc/54/04/14/411540414.db2.gz BEPNVFVZKGTYBM-STQMWFEESA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657522371 411540515 /nfs/dbraw/zinc/54/05/15/411540515.db2.gz BEPNVFVZKGTYBM-OLZOCXBDSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657522371 411540517 /nfs/dbraw/zinc/54/05/17/411540517.db2.gz BEPNVFVZKGTYBM-OLZOCXBDSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657522373 411540854 /nfs/dbraw/zinc/54/08/54/411540854.db2.gz BEPNVFVZKGTYBM-QWHCGFSZSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657522373 411540855 /nfs/dbraw/zinc/54/08/55/411540855.db2.gz BEPNVFVZKGTYBM-QWHCGFSZSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CCC[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000657523580 411541252 /nfs/dbraw/zinc/54/12/52/411541252.db2.gz FZWBSHUTUZZVQB-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000657523580 411541253 /nfs/dbraw/zinc/54/12/53/411541253.db2.gz FZWBSHUTUZZVQB-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC1(C)C ZINC000657527195 411541653 /nfs/dbraw/zinc/54/16/53/411541653.db2.gz SEPBYTVODHFQHS-AVGNSLFASA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CC1(C)C ZINC000657527195 411541655 /nfs/dbraw/zinc/54/16/55/411541655.db2.gz SEPBYTVODHFQHS-AVGNSLFASA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)=CCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000660130500 411542034 /nfs/dbraw/zinc/54/20/34/411542034.db2.gz XQQYUONORXOIIO-ZDUSSCGKSA-N 2 2 233.359 2.566 20 0 BFADLP CC(C)=CCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000660130500 411542036 /nfs/dbraw/zinc/54/20/36/411542036.db2.gz XQQYUONORXOIIO-ZDUSSCGKSA-N 2 2 233.359 2.566 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]CC1(C)CCC1 ZINC000657526110 411542768 /nfs/dbraw/zinc/54/27/68/411542768.db2.gz ABVGNSCDUUSDCO-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]CC1(C)CCC1 ZINC000657526110 411542770 /nfs/dbraw/zinc/54/27/70/411542770.db2.gz ABVGNSCDUUSDCO-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655848431 411535926 /nfs/dbraw/zinc/53/59/26/411535926.db2.gz FDJQXOLYWJONIS-KKUMJFAQSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655848431 411535927 /nfs/dbraw/zinc/53/59/27/411535927.db2.gz FDJQXOLYWJONIS-KKUMJFAQSA-N 2 2 248.414 2.926 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849307 411536015 /nfs/dbraw/zinc/53/60/15/411536015.db2.gz TWBGRVBVOGKUQB-OTJKEOIZSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849307 411536017 /nfs/dbraw/zinc/53/60/17/411536017.db2.gz TWBGRVBVOGKUQB-OTJKEOIZSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655850340 411536781 /nfs/dbraw/zinc/53/67/81/411536781.db2.gz VCQYTBSYCKTCKO-CBBWQLFWSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655850340 411536783 /nfs/dbraw/zinc/53/67/83/411536783.db2.gz VCQYTBSYCKTCKO-CBBWQLFWSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655850342 411536868 /nfs/dbraw/zinc/53/68/68/411536868.db2.gz VCQYTBSYCKTCKO-QPSCCSFWSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655850342 411536869 /nfs/dbraw/zinc/53/68/69/411536869.db2.gz VCQYTBSYCKTCKO-QPSCCSFWSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000655849229 411537366 /nfs/dbraw/zinc/53/73/66/411537366.db2.gz QVCSEAOXULLBSW-RRFJBIMHSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000655849229 411537369 /nfs/dbraw/zinc/53/73/69/411537369.db2.gz QVCSEAOXULLBSW-RRFJBIMHSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2C[C@H]2CC(C)(C)C)n1C ZINC000657500072 411537543 /nfs/dbraw/zinc/53/75/43/411537543.db2.gz GHNRYGFMLWBQEW-WCQYABFASA-N 2 2 235.375 2.643 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12)[C@H]1C[C@H]1C ZINC000655851391 411538124 /nfs/dbraw/zinc/53/81/24/411538124.db2.gz UOSLSODXMPFGNN-CAEXGNQWSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1C[C@H]1C ZINC000655851391 411538127 /nfs/dbraw/zinc/53/81/27/411538127.db2.gz UOSLSODXMPFGNN-CAEXGNQWSA-N 2 2 236.403 2.637 20 0 BFADLP CC[NH2+]CC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000044380634 170113960 /nfs/dbraw/zinc/11/39/60/170113960.db2.gz TXDGAFUOZFGXRA-UHFFFAOYSA-N 2 2 246.398 2.551 20 0 BFADLP CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000020084626 170140853 /nfs/dbraw/zinc/14/08/53/170140853.db2.gz IAYASZNJSGWBKI-NSHDSACASA-N 2 2 215.300 2.543 20 0 BFADLP CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000085976062 170141613 /nfs/dbraw/zinc/14/16/13/170141613.db2.gz UUTCWIBHBXJWPA-NSHDSACASA-N 2 2 215.300 2.543 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@]3(C)CC3(C)C)n2c1 ZINC000657761857 411591658 /nfs/dbraw/zinc/59/16/58/411591658.db2.gz SYAUFXYHUORUQI-HNNXBMFYSA-N 2 2 243.354 2.921 20 0 BFADLP c1cn2c(cccc2C[NH2+]CC2=CCCC2)[nH+]1 ZINC000657749803 411592591 /nfs/dbraw/zinc/59/25/91/411592591.db2.gz NQDAIITUXAVVGU-UHFFFAOYSA-N 2 2 227.311 2.534 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1CC1CC=CC1 ZINC000660549115 411598712 /nfs/dbraw/zinc/59/87/12/411598712.db2.gz IKHOMYZWSOGUPA-UKRRQHHQSA-N 2 2 234.387 2.511 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1CC1CC=CC1 ZINC000660549115 411598713 /nfs/dbraw/zinc/59/87/13/411598713.db2.gz IKHOMYZWSOGUPA-UKRRQHHQSA-N 2 2 234.387 2.511 20 0 BFADLP CC1(C)[C@H]([NH2+]CCCn2cc[nH+]c2)[C@@H]2CCC[C@@H]21 ZINC000657816990 411606046 /nfs/dbraw/zinc/60/60/46/411606046.db2.gz MNSJLMQOGWGNTI-HZSPNIEDSA-N 2 2 247.386 2.688 20 0 BFADLP CC[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)CC(F)F ZINC000660762588 411618371 /nfs/dbraw/zinc/61/83/71/411618371.db2.gz BKZWIJBGEMLDSR-SNVBAGLBSA-N 2 2 236.350 2.598 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](CCC1CC1)CC1CC1 ZINC000663503279 411687192 /nfs/dbraw/zinc/68/71/92/411687192.db2.gz NAPAAPYTSCJARU-HNNXBMFYSA-N 2 2 238.419 2.872 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](CCC1CC1)CC1CC1 ZINC000663503279 411687196 /nfs/dbraw/zinc/68/71/96/411687196.db2.gz NAPAAPYTSCJARU-HNNXBMFYSA-N 2 2 238.419 2.872 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+]Cc1c(C)cc(Cl)cc1C ZINC000663509185 411693716 /nfs/dbraw/zinc/69/37/16/411693716.db2.gz IAQOMBLDBUIXAJ-NSHDSACASA-N 2 2 240.778 2.654 20 0 BFADLP Cc1cccc(NC[C@H]2CC[N@@H+]2C(C)(C)C)[nH+]1 ZINC000664142324 411869211 /nfs/dbraw/zinc/86/92/11/411869211.db2.gz IPYWDRUMWFBCKA-GFCCVEGCSA-N 2 2 233.359 2.675 20 0 BFADLP Cc1cccc(NC[C@H]2CC[N@H+]2C(C)(C)C)[nH+]1 ZINC000664142324 411869214 /nfs/dbraw/zinc/86/92/14/411869214.db2.gz IPYWDRUMWFBCKA-GFCCVEGCSA-N 2 2 233.359 2.675 20 0 BFADLP CC[C@@H]1CCC[C@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000662161478 412012579 /nfs/dbraw/zinc/01/25/79/412012579.db2.gz SVKIKNVLEVBTKF-UONOGXRCSA-N 2 2 235.375 2.926 20 0 BFADLP CC[C@@H]1CCC[C@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000662161478 412012582 /nfs/dbraw/zinc/01/25/82/412012582.db2.gz SVKIKNVLEVBTKF-UONOGXRCSA-N 2 2 235.375 2.926 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662043357 411960447 /nfs/dbraw/zinc/96/04/47/411960447.db2.gz JNTVZYUSABAAJG-HNNXBMFYSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C2CCC2)C1 ZINC000662043357 411960450 /nfs/dbraw/zinc/96/04/50/411960450.db2.gz JNTVZYUSABAAJG-HNNXBMFYSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1cccc(N[C@H](C)C[NH+]2CCC(C)CC2)[nH+]1 ZINC000664456019 411963097 /nfs/dbraw/zinc/96/30/97/411963097.db2.gz GVPVDASYXYHOLB-CQSZACIVSA-N 2 2 247.386 2.922 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000662243911 412040162 /nfs/dbraw/zinc/04/01/62/412040162.db2.gz GNMYBDHUESBPJC-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000662243911 412040165 /nfs/dbraw/zinc/04/01/65/412040165.db2.gz GNMYBDHUESBPJC-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP C[N@H+](Cc1cccc(C(C)(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000662245265 412042121 /nfs/dbraw/zinc/04/21/21/412042121.db2.gz JQDJNHPMFWJWRH-HNNXBMFYSA-N 2 2 246.398 2.778 20 0 BFADLP C[N@@H+](Cc1cccc(C(C)(C)C)c1)[C@H]1CC[NH2+]C1 ZINC000662245265 412042124 /nfs/dbraw/zinc/04/21/24/412042124.db2.gz JQDJNHPMFWJWRH-HNNXBMFYSA-N 2 2 246.398 2.778 20 0 BFADLP CC(C)c1cccc(C[N@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000662247736 412044599 /nfs/dbraw/zinc/04/45/99/412044599.db2.gz ZNWQMVOTAGYNMF-OAHLLOKOSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1cccc(C[N@@H+](C)[C@@H]2CC[NH2+]C2)c1 ZINC000662247736 412044603 /nfs/dbraw/zinc/04/46/03/412044603.db2.gz ZNWQMVOTAGYNMF-OAHLLOKOSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)=CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000662273924 412065564 /nfs/dbraw/zinc/06/55/64/412065564.db2.gz BIHQFOLCERYWBO-HUUCEWRRSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)=CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000662273924 412065566 /nfs/dbraw/zinc/06/55/66/412065566.db2.gz BIHQFOLCERYWBO-HUUCEWRRSA-N 2 2 236.403 2.949 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662283259 412075830 /nfs/dbraw/zinc/07/58/30/412075830.db2.gz GKKUIZXFXNVYQC-JJCQNKCGSA-N 2 2 248.414 2.626 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@H+]2C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000662283259 412075833 /nfs/dbraw/zinc/07/58/33/412075833.db2.gz GKKUIZXFXNVYQC-JJCQNKCGSA-N 2 2 248.414 2.626 20 0 BFADLP CC[C@H](C)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000336682332 171279882 /nfs/dbraw/zinc/27/98/82/171279882.db2.gz RLJIKBMWPPWGMX-NSHDSACASA-N 2 2 221.348 2.635 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H](c1ccccc1)[NH+](C)C ZINC000020094195 171285743 /nfs/dbraw/zinc/28/57/43/171285743.db2.gz PZBHCDZVIBMFLW-DZGCQCFKSA-N 2 2 234.387 2.925 20 0 BFADLP CC[C@H](C)C[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000037166583 171287136 /nfs/dbraw/zinc/28/71/36/171287136.db2.gz DJMXVYWIEIAHPQ-STQMWFEESA-N 2 2 214.397 2.598 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000336744073 171297945 /nfs/dbraw/zinc/29/79/45/171297945.db2.gz UMJBTIGALLPNKW-XDQVBPFNSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000336744073 171297946 /nfs/dbraw/zinc/29/79/46/171297946.db2.gz UMJBTIGALLPNKW-XDQVBPFNSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@H+](CC)C[C@H]1C ZINC000336744068 171298301 /nfs/dbraw/zinc/29/83/01/171298301.db2.gz UMJBTIGALLPNKW-CRWXNKLISA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@H]1C[N@@H+](CC)C[C@H]1C ZINC000336744068 171298302 /nfs/dbraw/zinc/29/83/02/171298302.db2.gz UMJBTIGALLPNKW-CRWXNKLISA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H](C)[N@H+](C)CCNc1cccc(C)[nH+]1 ZINC000220336310 171307344 /nfs/dbraw/zinc/30/73/44/171307344.db2.gz CLSKSIXTGSIEMW-LBPRGKRZSA-N 2 2 221.348 2.532 20 0 BFADLP CC[C@H](C)[N@@H+](C)CCNc1cccc(C)[nH+]1 ZINC000220336310 171307345 /nfs/dbraw/zinc/30/73/45/171307345.db2.gz CLSKSIXTGSIEMW-LBPRGKRZSA-N 2 2 221.348 2.532 20 0 BFADLP CC[C@H](C)[NH2+]C[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000118975971 171341724 /nfs/dbraw/zinc/34/17/24/171341724.db2.gz BKFBWFRAPBSKKR-DZGCQCFKSA-N 2 2 234.387 2.986 20 0 BFADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(C)(C)[NH3+] ZINC000662293520 412082425 /nfs/dbraw/zinc/08/24/25/412082425.db2.gz SWYRTSQTVVJEAY-SECBINFHSA-N 2 2 242.313 2.695 20 0 BFADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(C)(C)[NH3+] ZINC000662293520 412082427 /nfs/dbraw/zinc/08/24/27/412082427.db2.gz SWYRTSQTVVJEAY-SECBINFHSA-N 2 2 242.313 2.695 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)oc1C ZINC000665246809 412190342 /nfs/dbraw/zinc/19/03/42/412190342.db2.gz OKZLIYAGYCVIQI-NSHDSACASA-N 2 2 236.359 2.819 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccccc1F ZINC000665250338 412196558 /nfs/dbraw/zinc/19/65/58/412196558.db2.gz OMCXFPHMLBDYKG-LLVKDONJSA-N 2 2 236.334 2.748 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000038088784 171526879 /nfs/dbraw/zinc/52/68/79/171526879.db2.gz YTOXPUGTZFJNRQ-JSGCOSHPSA-N 2 2 220.360 2.677 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000665294207 412239099 /nfs/dbraw/zinc/23/90/99/412239099.db2.gz KHPCANBABZLKBJ-GWCFXTLKSA-N 2 2 240.778 2.989 20 0 BFADLP CCC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccccc1 ZINC000665294237 412239190 /nfs/dbraw/zinc/23/91/90/412239190.db2.gz KXMOUZOTURCJKU-OCCSQVGLSA-N 2 2 220.360 2.725 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000665295028 412240416 /nfs/dbraw/zinc/24/04/16/412240416.db2.gz ZSZSMVWBJLHAQM-SFYZADRCSA-N 2 2 232.780 2.660 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000665294720 412240751 /nfs/dbraw/zinc/24/07/51/412240751.db2.gz UZKOYUHCPFTKTB-WDEREUQCSA-N 2 2 232.327 2.691 20 0 BFADLP CCc1ccc([C@@H](CC)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665296570 412243063 /nfs/dbraw/zinc/24/30/63/412243063.db2.gz UUQXRFCNIUZZHO-IUODEOHRSA-N 2 2 234.387 2.898 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000665296100 412243124 /nfs/dbraw/zinc/24/31/24/412243124.db2.gz MTUDVUKCNFRJAV-BXUZGUMPSA-N 2 2 232.371 2.607 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000665296932 412244861 /nfs/dbraw/zinc/24/48/61/412244861.db2.gz ZXEHHNBLQVIDJT-WCQYABFASA-N 2 2 220.360 2.562 20 0 BFADLP Nc1cc(C[NH+]2C3CCCC2CCC3)cc[nH+]1 ZINC000662974450 412361721 /nfs/dbraw/zinc/36/17/21/412361721.db2.gz UJYDAAYJOBKMRB-UHFFFAOYSA-N 2 2 231.343 2.571 20 0 BFADLP CCc1[nH+]ccn1CCCCn1cc[nH+]c1CC ZINC000155352184 172026539 /nfs/dbraw/zinc/02/65/39/172026539.db2.gz MJXNKYWDHKQUHY-UHFFFAOYSA-N 2 2 246.358 2.685 20 0 BFADLP CCn1cc[nH+]c1CNc1cc[nH+]cc1Cl ZINC000294895001 172226799 /nfs/dbraw/zinc/22/67/99/172226799.db2.gz DHDHHYUGKVQVGI-UHFFFAOYSA-N 2 2 236.706 2.564 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC12CCCC2 ZINC000336783039 172394474 /nfs/dbraw/zinc/39/44/74/172394474.db2.gz ZHORTJWNTUSYKE-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC12CCCC2 ZINC000336783040 172397136 /nfs/dbraw/zinc/39/71/36/172397136.db2.gz ZHORTJWNTUSYKE-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)CCC1 ZINC000337458117 172403242 /nfs/dbraw/zinc/40/32/42/172403242.db2.gz JPELGMQCIPHGPD-BFHYXJOUSA-N 2 2 236.403 2.639 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000021957625 172467539 /nfs/dbraw/zinc/46/75/39/172467539.db2.gz LLJRSMRHUQTUPS-HNNXBMFYSA-N 2 2 232.371 2.605 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000328097390 173032632 /nfs/dbraw/zinc/03/26/32/173032632.db2.gz KCCQUZCAHOILKF-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCCC2 ZINC000328097390 173032634 /nfs/dbraw/zinc/03/26/34/173032634.db2.gz KCCQUZCAHOILKF-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C(C1CCC1)C1CCC1 ZINC000310496998 173057342 /nfs/dbraw/zinc/05/73/42/173057342.db2.gz KVWGBSOIKJQLJV-AWEZNQCLSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]C(C1CCC1)C1CCC1 ZINC000310496998 173057343 /nfs/dbraw/zinc/05/73/43/173057343.db2.gz KVWGBSOIKJQLJV-AWEZNQCLSA-N 2 2 236.403 2.639 20 0 BFADLP C[NH2+]CC[N@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062010680 173353815 /nfs/dbraw/zinc/35/38/15/173353815.db2.gz PRKKHFWLPYCXKG-JTQLQIEISA-N 2 2 226.751 2.552 20 0 BFADLP C[NH2+]CC[N@@H+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062010680 173353817 /nfs/dbraw/zinc/35/38/17/173353817.db2.gz PRKKHFWLPYCXKG-JTQLQIEISA-N 2 2 226.751 2.552 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000133053127 173368530 /nfs/dbraw/zinc/36/85/30/173368530.db2.gz PGLRFGGJULNWCS-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2o1 ZINC000133053127 173368532 /nfs/dbraw/zinc/36/85/32/173368532.db2.gz PGLRFGGJULNWCS-ZDUSSCGKSA-N 2 2 244.338 2.617 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000133019168 173368649 /nfs/dbraw/zinc/36/86/49/173368649.db2.gz SWZPYSCJOMSDRV-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+]C[C@@H]1CCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000133019168 173368651 /nfs/dbraw/zinc/36/86/51/173368651.db2.gz SWZPYSCJOMSDRV-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CCC1CCCCC1 ZINC000125067917 175784075 /nfs/dbraw/zinc/78/40/75/175784075.db2.gz IWJDRGRMWPMSNL-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CC[NH3+] ZINC000054416808 176013981 /nfs/dbraw/zinc/01/39/81/176013981.db2.gz QUURGJTYTPDABN-LBPRGKRZSA-N 2 2 234.387 2.936 20 0 BFADLP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@@H+](C)CC[NH3+] ZINC000054416808 176013983 /nfs/dbraw/zinc/01/39/83/176013983.db2.gz QUURGJTYTPDABN-LBPRGKRZSA-N 2 2 234.387 2.936 20 0 BFADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022046278 176014187 /nfs/dbraw/zinc/01/41/87/176014187.db2.gz QSJAEFFWYFBNSN-NSHDSACASA-N 2 2 238.762 2.696 20 0 BFADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000022046278 176014188 /nfs/dbraw/zinc/01/41/88/176014188.db2.gz QSJAEFFWYFBNSN-NSHDSACASA-N 2 2 238.762 2.696 20 0 BFADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)CC[NH3+] ZINC000054416769 176016387 /nfs/dbraw/zinc/01/63/87/176016387.db2.gz WTNULJRYFLHGEF-VIFPVBQESA-N 2 2 246.276 2.657 20 0 BFADLP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CC[NH3+] ZINC000054416769 176016388 /nfs/dbraw/zinc/01/63/88/176016388.db2.gz WTNULJRYFLHGEF-VIFPVBQESA-N 2 2 246.276 2.657 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@@H](C)c1ccccc1 ZINC000080248439 176022890 /nfs/dbraw/zinc/02/28/90/176022890.db2.gz RONUKWKQJMLVGP-VXGBXAGGSA-N 2 2 229.327 2.692 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CCC(C)(C)C ZINC000053343437 176070918 /nfs/dbraw/zinc/07/09/18/176070918.db2.gz CNYGJRRUUDVGCE-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CCC(C)(C)C ZINC000053343437 176070919 /nfs/dbraw/zinc/07/09/19/176070919.db2.gz CNYGJRRUUDVGCE-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCC[N@@H+]1C ZINC000054243650 176085624 /nfs/dbraw/zinc/08/56/24/176085624.db2.gz BJQGNNSLMONKCT-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+]C[C@@H]1CCCC[N@H+]1C ZINC000054243650 176085625 /nfs/dbraw/zinc/08/56/25/176085625.db2.gz BJQGNNSLMONKCT-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053343788 176098172 /nfs/dbraw/zinc/09/81/72/176098172.db2.gz IINPAUXPCKZOSK-CYBMUJFWSA-N 2 2 226.408 2.744 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053343788 176098173 /nfs/dbraw/zinc/09/81/73/176098173.db2.gz IINPAUXPCKZOSK-CYBMUJFWSA-N 2 2 226.408 2.744 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337409844 176098387 /nfs/dbraw/zinc/09/83/87/176098387.db2.gz VKCAJCFUZHFVSF-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337409844 176098388 /nfs/dbraw/zinc/09/83/88/176098388.db2.gz VKCAJCFUZHFVSF-KGLIPLIRSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000336792098 176216775 /nfs/dbraw/zinc/21/67/75/176216775.db2.gz QOFYJYIZTZJUNS-DOMZBBRYSA-N 2 2 241.338 2.760 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000353125256 176217026 /nfs/dbraw/zinc/21/70/26/176217026.db2.gz ATXQBWVJRKGHFK-MFKMUULPSA-N 2 2 247.367 2.822 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1[NH3+] ZINC000235351739 176303108 /nfs/dbraw/zinc/30/31/08/176303108.db2.gz BJDMTFGHSYNXGS-DOMZBBRYSA-N 2 2 246.398 2.763 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)C[C@@H]1[NH3+] ZINC000235351739 176303110 /nfs/dbraw/zinc/30/31/10/176303110.db2.gz BJDMTFGHSYNXGS-DOMZBBRYSA-N 2 2 246.398 2.763 20 0 BFADLP C[C@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235360003 176316749 /nfs/dbraw/zinc/31/67/49/176316749.db2.gz YYLFQYYRDMIALZ-BREBYQMCSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@H](c1ccccc1Cl)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235360003 176316750 /nfs/dbraw/zinc/31/67/50/176316750.db2.gz YYLFQYYRDMIALZ-BREBYQMCSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C[N@@H+]1C1CC1 ZINC000128151147 176374678 /nfs/dbraw/zinc/37/46/78/176374678.db2.gz IYMOATCHIFSJTK-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)C[N@H+]1C1CC1 ZINC000128151147 176374679 /nfs/dbraw/zinc/37/46/79/176374679.db2.gz IYMOATCHIFSJTK-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC3CCC2CC3)C[N@@H+]1C1CC1 ZINC000336795685 176379503 /nfs/dbraw/zinc/37/95/03/176379503.db2.gz MNGJUNGZGMZGCR-HXVFOEGGSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC3CCC2CC3)C[N@H+]1C1CC1 ZINC000336795685 176379506 /nfs/dbraw/zinc/37/95/06/176379506.db2.gz MNGJUNGZGMZGCR-HXVFOEGGSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@H](C[NH2+]Cc1ccccc1Cl)C[NH+](C)C ZINC000291800013 176680814 /nfs/dbraw/zinc/68/08/14/176680814.db2.gz XDPCEVAHELYWOB-LLVKDONJSA-N 2 2 240.778 2.627 20 0 BFADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C(C)(C)C ZINC000130660696 176855387 /nfs/dbraw/zinc/85/53/87/176855387.db2.gz GVKFFHFPIIDYSI-LBPRGKRZSA-N 2 2 245.370 2.901 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000179312638 177034779 /nfs/dbraw/zinc/03/47/79/177034779.db2.gz VXJKQKGVZAKRNS-GFCCVEGCSA-N 2 2 247.317 2.715 20 0 BFADLP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000179312638 177034780 /nfs/dbraw/zinc/03/47/80/177034780.db2.gz VXJKQKGVZAKRNS-GFCCVEGCSA-N 2 2 247.317 2.715 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+]CCC(C)(C)C ZINC000053343438 177075036 /nfs/dbraw/zinc/07/50/36/177075036.db2.gz CNYGJRRUUDVGCE-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+]CCC(C)(C)C ZINC000053343438 177075038 /nfs/dbraw/zinc/07/50/38/177075038.db2.gz CNYGJRRUUDVGCE-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337411646 177075465 /nfs/dbraw/zinc/07/54/65/177075465.db2.gz WMJOPMOSZSBINR-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC12CCC2 ZINC000337411646 177075466 /nfs/dbraw/zinc/07/54/66/177075466.db2.gz WMJOPMOSZSBINR-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053343789 177097433 /nfs/dbraw/zinc/09/74/33/177097433.db2.gz IINPAUXPCKZOSK-ZDUSSCGKSA-N 2 2 226.408 2.744 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+]CCC(C)(C)C)C1 ZINC000053343789 177097434 /nfs/dbraw/zinc/09/74/34/177097434.db2.gz IINPAUXPCKZOSK-ZDUSSCGKSA-N 2 2 226.408 2.744 20 0 BFADLP C[C@H]1CCC[C@H](C)C1[NH2+]CCCn1cc[nH+]c1 ZINC000020305996 177129695 /nfs/dbraw/zinc/12/96/95/177129695.db2.gz DTEKLJDCZZXPLF-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCCC3)C1 ZINC000376768679 177137450 /nfs/dbraw/zinc/13/74/50/177137450.db2.gz OITJKXCLOBLIJX-STQMWFEESA-N 2 2 247.386 2.888 20 0 BFADLP C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000271747842 177165637 /nfs/dbraw/zinc/16/56/37/177165637.db2.gz UFZYHJWQWSMCAS-QWHCGFSZSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1C[C@@H](C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000271747842 177165638 /nfs/dbraw/zinc/16/56/38/177165638.db2.gz UFZYHJWQWSMCAS-QWHCGFSZSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1C[N@H+](CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000245591313 177255616 /nfs/dbraw/zinc/25/56/16/177255616.db2.gz GJQDNNQULIONEE-DZGCQCFKSA-N 2 2 241.338 2.576 20 0 BFADLP C[C@H]1C[N@@H+](CCn2cc[nH+]c2)[C@H]1c1ccccc1 ZINC000245591313 177255618 /nfs/dbraw/zinc/25/56/18/177255618.db2.gz GJQDNNQULIONEE-DZGCQCFKSA-N 2 2 241.338 2.576 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000292880205 177261880 /nfs/dbraw/zinc/26/18/80/177261880.db2.gz CAZXDQRICYPTFZ-STQMWFEESA-N 2 2 241.338 2.713 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@H]1C ZINC000292880205 177261881 /nfs/dbraw/zinc/26/18/81/177261881.db2.gz CAZXDQRICYPTFZ-STQMWFEESA-N 2 2 241.338 2.713 20 0 BFADLP C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062619217 177265335 /nfs/dbraw/zinc/26/53/35/177265335.db2.gz YTCLXYXHHNIPIV-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CCC[NH2+]1 ZINC000062619217 177265337 /nfs/dbraw/zinc/26/53/37/177265337.db2.gz YTCLXYXHHNIPIV-NSHDSACASA-N 2 2 238.762 2.524 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[N@H+](C)C1CC1 ZINC000300408826 177318170 /nfs/dbraw/zinc/31/81/70/177318170.db2.gz BGEFWDKQYAAKIH-RFQIPJPRSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000300408826 177318171 /nfs/dbraw/zinc/31/81/71/177318171.db2.gz BGEFWDKQYAAKIH-RFQIPJPRSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCC2)CC(C)(C)C1 ZINC000021061655 177369737 /nfs/dbraw/zinc/36/97/37/177369737.db2.gz HPHFMNDXSALXTJ-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1C[C@H]1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000133187275 177381659 /nfs/dbraw/zinc/38/16/59/177381659.db2.gz OWDAMUQWPQZELS-JSGCOSHPSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CC1(C)C ZINC000486967596 225276320 /nfs/dbraw/zinc/27/63/20/225276320.db2.gz IBDPUHJGEKNIOO-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC1(C)C ZINC000486967596 225276323 /nfs/dbraw/zinc/27/63/23/225276323.db2.gz IBDPUHJGEKNIOO-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@H]1CC1(C)C ZINC000487277319 225295760 /nfs/dbraw/zinc/29/57/60/225295760.db2.gz MMYGALGHHXDOOA-QWHCGFSZSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000488333817 225375474 /nfs/dbraw/zinc/37/54/74/225375474.db2.gz VOZJQWKUZAGQPF-OCCSQVGLSA-N 2 2 241.338 2.618 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CCC1 ZINC000322740147 487644706 /nfs/dbraw/zinc/64/47/06/487644706.db2.gz YARHAQWCHSJXRK-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CCC1 ZINC000322740147 487644710 /nfs/dbraw/zinc/64/47/10/487644710.db2.gz YARHAQWCHSJXRK-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000494892545 226271046 /nfs/dbraw/zinc/27/10/46/226271046.db2.gz TYFFMKHKVYINBD-KJWHEZOQSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000494892545 226271047 /nfs/dbraw/zinc/27/10/47/226271047.db2.gz TYFFMKHKVYINBD-KJWHEZOQSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1 ZINC000678924112 487682911 /nfs/dbraw/zinc/68/29/11/487682911.db2.gz BCUOFHAPVDEGNR-CQSZACIVSA-N 2 2 243.354 2.702 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000671707515 487700309 /nfs/dbraw/zinc/70/03/09/487700309.db2.gz FFYROCFVZUEJGG-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000671707515 487700315 /nfs/dbraw/zinc/70/03/15/487700315.db2.gz FFYROCFVZUEJGG-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)CCC(C)(C)C)n1C ZINC000668274511 490070455 /nfs/dbraw/zinc/07/04/55/490070455.db2.gz FIVYBJVNSBBSPX-UHFFFAOYSA-N 2 2 223.364 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)CCC(C)(C)C)n1C ZINC000668274511 490070458 /nfs/dbraw/zinc/07/04/58/490070458.db2.gz FIVYBJVNSBBSPX-UHFFFAOYSA-N 2 2 223.364 2.597 20 0 BFADLP CC1=CC[C@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000668431871 487744404 /nfs/dbraw/zinc/74/44/04/487744404.db2.gz GJBHOBYHRDDUIS-KBPBESRZSA-N 2 2 236.403 2.948 20 0 BFADLP CC1=CC[C@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000668431871 487744410 /nfs/dbraw/zinc/74/44/10/487744410.db2.gz GJBHOBYHRDDUIS-KBPBESRZSA-N 2 2 236.403 2.948 20 0 BFADLP C[C@H]1CCC[C@@H]1[NH2+]CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675748753 487773584 /nfs/dbraw/zinc/77/35/84/487773584.db2.gz JRAUJXMXIRNHIZ-XGUBFFRZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000675748753 487773586 /nfs/dbraw/zinc/77/35/86/487773586.db2.gz JRAUJXMXIRNHIZ-XGUBFFRZSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@H]([NH2+]CC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000675748687 487773667 /nfs/dbraw/zinc/77/36/67/487773667.db2.gz GIYBRYCGPRTSBH-NFAWXSAZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000675930318 487794282 /nfs/dbraw/zinc/79/42/82/487794282.db2.gz ORQSHRIKYWXCEC-DYEKYZERSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000675930318 487794285 /nfs/dbraw/zinc/79/42/85/487794285.db2.gz ORQSHRIKYWXCEC-DYEKYZERSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000675934740 487794458 /nfs/dbraw/zinc/79/44/58/487794458.db2.gz UBYDOBGGDSMXGY-ZOWXZIJZSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000675934740 487794464 /nfs/dbraw/zinc/79/44/64/487794464.db2.gz UBYDOBGGDSMXGY-ZOWXZIJZSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cs1 ZINC000313263706 487802905 /nfs/dbraw/zinc/80/29/05/487802905.db2.gz DWKJDQGNYXTOFQ-LLVKDONJSA-N 2 2 249.383 2.683 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651676317 487815525 /nfs/dbraw/zinc/81/55/25/487815525.db2.gz WIPHGLJGSIGNLZ-BFHYXJOUSA-N 2 2 235.375 2.830 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000651814550 487834149 /nfs/dbraw/zinc/83/41/49/487834149.db2.gz YQPBHCHLLUKNEG-FRRDWIJNSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000651814550 487834151 /nfs/dbraw/zinc/83/41/51/487834151.db2.gz YQPBHCHLLUKNEG-FRRDWIJNSA-N 2 2 247.386 2.825 20 0 BFADLP Cc1cc(C)cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000666769101 487853700 /nfs/dbraw/zinc/85/37/00/487853700.db2.gz SDNFIVHHFJROAS-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000666860479 487873368 /nfs/dbraw/zinc/87/33/68/487873368.db2.gz BZWGGDVXSSLKRP-LRDDRELGSA-N 2 2 244.382 2.652 20 0 BFADLP Cc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)c(C)s1 ZINC000666769258 487876156 /nfs/dbraw/zinc/87/61/56/487876156.db2.gz XBFQKUZXAPLWPN-CYBMUJFWSA-N 2 2 238.400 2.597 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000666787317 487879697 /nfs/dbraw/zinc/87/96/97/487879697.db2.gz GGCRVPUKCNGENI-IUODEOHRSA-N 2 2 232.371 2.855 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]Cc2cscc2Cl)CC[NH2+]1 ZINC000666873269 487895179 /nfs/dbraw/zinc/89/51/79/487895179.db2.gz RKOFIOHPGYJRHT-WPRPVWTQSA-N 2 2 244.791 2.632 20 0 BFADLP CC1([NH2+]Cc2cscc2Cl)CC[NH2+]CC1 ZINC000666881367 487895903 /nfs/dbraw/zinc/89/59/03/487895903.db2.gz DOPRMCYWINPCCG-UHFFFAOYSA-N 2 2 244.791 2.633 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c(C)o1 ZINC000235204863 487932868 /nfs/dbraw/zinc/93/28/68/487932868.db2.gz BQRULQIXLADHFC-DGCLKSJQSA-N 2 2 236.359 2.689 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)s1 ZINC000235223501 487936711 /nfs/dbraw/zinc/93/67/11/487936711.db2.gz JXUGWICOLAYXHF-NEPJUHHUSA-N 2 2 238.400 2.849 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC000676900795 487943433 /nfs/dbraw/zinc/94/34/33/487943433.db2.gz NRTQDTOJZGHNKF-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]C[C@@H]2CCCC(C)(C)C2)C1 ZINC000676900795 487943437 /nfs/dbraw/zinc/94/34/37/487943437.db2.gz NRTQDTOJZGHNKF-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](Nc1cc2c(c[nH+]1)CCCC2)c1[nH]cc[nH+]1 ZINC000561416037 323001374 /nfs/dbraw/zinc/00/13/74/323001374.db2.gz MFZNIDDRWLODSM-JTQLQIEISA-N 2 2 242.326 2.857 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000562564758 323024605 /nfs/dbraw/zinc/02/46/05/323024605.db2.gz VJRBLMVYBHSQKR-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000562564758 323024606 /nfs/dbraw/zinc/02/46/06/323024606.db2.gz VJRBLMVYBHSQKR-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cc(C[NH2+]C2CC([NH+](C)C)C2)c(C)s1 ZINC000569866783 323043161 /nfs/dbraw/zinc/04/31/61/323043161.db2.gz ABAHITLIAAWTGH-UHFFFAOYSA-N 2 2 238.400 2.547 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)n2c1 ZINC000570646510 323065976 /nfs/dbraw/zinc/06/59/76/323065976.db2.gz GNFMPCOLBCDRMI-NHAGDIPZSA-N 2 2 241.338 2.531 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@H]1CC1(C)C ZINC000397832118 323097632 /nfs/dbraw/zinc/09/76/32/323097632.db2.gz NKGLUCVRWFGBIS-UONOGXRCSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC000531728917 323111720 /nfs/dbraw/zinc/11/17/20/323111720.db2.gz XJXQCFHAWHBKIV-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC000531728917 323111721 /nfs/dbraw/zinc/11/17/21/323111721.db2.gz XJXQCFHAWHBKIV-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000563350893 323120145 /nfs/dbraw/zinc/12/01/45/323120145.db2.gz SZVLEKSOLZWPFP-DZGCQCFKSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000563350893 323120146 /nfs/dbraw/zinc/12/01/46/323120146.db2.gz SZVLEKSOLZWPFP-DZGCQCFKSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2(C3CCC3)CCC2)n1C ZINC000563440957 323125959 /nfs/dbraw/zinc/12/59/59/323125959.db2.gz OMKKQKVPFIZOCS-UHFFFAOYSA-N 2 2 233.359 2.541 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)n1C ZINC000563440985 323125986 /nfs/dbraw/zinc/12/59/86/323125986.db2.gz UPQIUQMVZVECJL-NQBHXWOUSA-N 2 2 235.375 2.643 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000310128063 323128365 /nfs/dbraw/zinc/12/83/65/323128365.db2.gz XSEAGMYVFMNBKY-RRFJBIMHSA-N 2 2 236.403 2.641 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000563637938 323133226 /nfs/dbraw/zinc/13/32/26/323133226.db2.gz QUANBTHPRFBJGD-GXTWGEPZSA-N 2 2 235.375 2.787 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000563637952 323133318 /nfs/dbraw/zinc/13/33/18/323133318.db2.gz QUANBTHPRFBJGD-OCCSQVGLSA-N 2 2 235.375 2.787 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)cc1 ZINC000531951427 323156931 /nfs/dbraw/zinc/15/69/31/323156931.db2.gz SFQVEZRTBMMGLS-XJKSGUPXSA-N 2 2 246.398 2.850 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000531951427 323156932 /nfs/dbraw/zinc/15/69/32/323156932.db2.gz SFQVEZRTBMMGLS-XJKSGUPXSA-N 2 2 246.398 2.850 20 0 BFADLP C[C@H](Cc1ccsc1)[NH2+]CCCn1cc[nH+]c1 ZINC000049328142 323159758 /nfs/dbraw/zinc/15/97/58/323159758.db2.gz RYZLPRMQVINNJN-GFCCVEGCSA-N 2 2 249.383 2.556 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2(C)CCC(C)CC2)n1C ZINC000563729870 323176300 /nfs/dbraw/zinc/17/63/00/323176300.db2.gz HMEUPIXSWMIFSY-UHFFFAOYSA-N 2 2 235.375 2.787 20 0 BFADLP CCc1ccc(C[NH2+]CCCCn2cc[nH+]c2)o1 ZINC000051725029 323190796 /nfs/dbraw/zinc/19/07/96/323190796.db2.gz CVZMNCRBZZIMLW-UHFFFAOYSA-N 2 2 247.342 2.609 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530177136 323205329 /nfs/dbraw/zinc/20/53/29/323205329.db2.gz HCEVCEHDOXRPMV-OAHLLOKOSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1C ZINC000530177932 323205476 /nfs/dbraw/zinc/20/54/76/323205476.db2.gz LTSKPFFLGKFEAD-OAHLLOKOSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532240675 323211353 /nfs/dbraw/zinc/21/13/53/323211353.db2.gz WVOGTPHLVWKCDO-UKRRQHHQSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532240675 323211355 /nfs/dbraw/zinc/21/13/55/323211355.db2.gz WVOGTPHLVWKCDO-UKRRQHHQSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532240676 323211717 /nfs/dbraw/zinc/21/17/17/323211717.db2.gz WVOGTPHLVWKCDO-ZFWWWQNUSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532240676 323211718 /nfs/dbraw/zinc/21/17/18/323211718.db2.gz WVOGTPHLVWKCDO-ZFWWWQNUSA-N 2 2 246.398 2.987 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H](C)c1ccccc1 ZINC000532249650 323211919 /nfs/dbraw/zinc/21/19/19/323211919.db2.gz XMZDDIBLFRJMQK-KQTLUZQSSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H](C)c1ccccc1 ZINC000532249650 323211920 /nfs/dbraw/zinc/21/19/20/323211920.db2.gz XMZDDIBLFRJMQK-KQTLUZQSSA-N 2 2 246.398 2.718 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)o1 ZINC000530222836 323218595 /nfs/dbraw/zinc/21/85/95/323218595.db2.gz RYHNTBKOKDRTRP-SMDDNHRTSA-N 2 2 248.370 2.832 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000532468201 323266880 /nfs/dbraw/zinc/26/68/80/323266880.db2.gz NLAGSAVDTTYJQG-NFAWXSAZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000532468201 323266883 /nfs/dbraw/zinc/26/68/83/323266883.db2.gz NLAGSAVDTTYJQG-NFAWXSAZSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000396601579 323311347 /nfs/dbraw/zinc/31/13/47/323311347.db2.gz HFMZGQFUVMTLLQ-GWCFXTLKSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000396621710 323393938 /nfs/dbraw/zinc/39/39/38/323393938.db2.gz CQYRAZWZGMTHEH-RCBQFDQVSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527847276 323704904 /nfs/dbraw/zinc/70/49/04/323704904.db2.gz INKGXKWFMFHFTR-MGPQQGTHSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccco1 ZINC000045094614 323836620 /nfs/dbraw/zinc/83/66/20/323836620.db2.gz IVVIMEDJFMUINE-LBPRGKRZSA-N 2 2 233.315 2.607 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000537361161 324066617 /nfs/dbraw/zinc/06/66/17/324066617.db2.gz PEPMOKGMSOTKFP-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CCCCCC1 ZINC000537361161 324066618 /nfs/dbraw/zinc/06/66/18/324066618.db2.gz PEPMOKGMSOTKFP-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400795210 324168801 /nfs/dbraw/zinc/16/88/01/324168801.db2.gz SRVRPBMTSBDJDJ-NFAWXSAZSA-N 2 2 232.371 2.786 20 0 BFADLP CCC[NH+]1CCC([N@H+](C)C/C=C(\C)Cl)CC1 ZINC000528395947 324220591 /nfs/dbraw/zinc/22/05/91/324220591.db2.gz MPLITCQGSLVUCV-LFYBBSHMSA-N 2 2 244.810 2.935 20 0 BFADLP CCC[NH+]1CCC([N@@H+](C)C/C=C(\C)Cl)CC1 ZINC000528395947 324220594 /nfs/dbraw/zinc/22/05/94/324220594.db2.gz MPLITCQGSLVUCV-LFYBBSHMSA-N 2 2 244.810 2.935 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037184099 324405667 /nfs/dbraw/zinc/40/56/67/324405667.db2.gz ALYFUCDNIPRHOD-JKSUJKDBSA-N 2 2 246.398 2.864 20 0 BFADLP C(=C/c1ccccc1)\C[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178691 324509358 /nfs/dbraw/zinc/50/93/58/324509358.db2.gz QFHXUURWELFIJN-LWUPOJRFSA-N 2 2 242.366 2.574 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000131031745 325109557 /nfs/dbraw/zinc/10/95/57/325109557.db2.gz LCCJDVWIHBBHJI-OLZOCXBDSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000131031745 325109560 /nfs/dbraw/zinc/10/95/60/325109560.db2.gz LCCJDVWIHBBHJI-OLZOCXBDSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000131416603 325147683 /nfs/dbraw/zinc/14/76/83/325147683.db2.gz XCXTXEYTYVHNGW-UHFFFAOYSA-N 2 2 243.354 2.794 20 0 BFADLP CC(C)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000131416603 325147686 /nfs/dbraw/zinc/14/76/86/325147686.db2.gz XCXTXEYTYVHNGW-UHFFFAOYSA-N 2 2 243.354 2.794 20 0 BFADLP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CCCCC1 ZINC000545161206 325181438 /nfs/dbraw/zinc/18/14/38/325181438.db2.gz OWWBZJGBAHLIRD-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H](C(C)C)C1CC1)[NH+](C)C ZINC000131894880 325189977 /nfs/dbraw/zinc/18/99/77/325189977.db2.gz CNVQJDGLALVVTI-LSDHHAIUSA-N 2 2 240.435 2.987 20 0 BFADLP CCC[C@H]1[C@H](C)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000132009685 325194870 /nfs/dbraw/zinc/19/48/70/325194870.db2.gz XAJXSYIDKRJTJT-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[C@H]1[C@H](C)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000132009685 325194872 /nfs/dbraw/zinc/19/48/72/325194872.db2.gz XAJXSYIDKRJTJT-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000134113466 325343779 /nfs/dbraw/zinc/34/37/79/325343779.db2.gz FHDUPPCFWLHIQE-RWMBFGLXSA-N 2 2 224.392 2.780 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000134113466 325343781 /nfs/dbraw/zinc/34/37/81/325343781.db2.gz FHDUPPCFWLHIQE-RWMBFGLXSA-N 2 2 224.392 2.780 20 0 BFADLP C[NH+](C)CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000553002719 325673830 /nfs/dbraw/zinc/67/38/30/325673830.db2.gz GJZDHZZRKLTUIZ-OAHLLOKOSA-N 2 2 232.371 2.679 20 0 BFADLP Cc1[nH+]cc(CNc2cc(C3CC3)cc[nH+]2)n1C ZINC000565234052 325882703 /nfs/dbraw/zinc/88/27/03/325882703.db2.gz QBTVXMVXHDDGCZ-UHFFFAOYSA-N 2 2 242.326 2.613 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000566672621 326072418 /nfs/dbraw/zinc/07/24/18/326072418.db2.gz QNCSVARZVWIRHN-SNPRPXQTSA-N 2 2 232.371 2.855 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CC1 ZINC000156016457 326217233 /nfs/dbraw/zinc/21/72/33/326217233.db2.gz UECSHENURVGDSV-OAHLLOKOSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@H]1CC[C@@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000568527693 326363165 /nfs/dbraw/zinc/36/31/65/326363165.db2.gz XXKROMWXYPZRGG-OLZOCXBDSA-N 2 2 235.375 2.616 20 0 BFADLP CC[C@H]1CC[C@@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000568527693 326363168 /nfs/dbraw/zinc/36/31/68/326363168.db2.gz XXKROMWXYPZRGG-OLZOCXBDSA-N 2 2 235.375 2.616 20 0 BFADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(C)cc2C)n1C ZINC000568783052 326377110 /nfs/dbraw/zinc/37/71/10/326377110.db2.gz LLWULWOKKZDYMX-UHFFFAOYSA-N 2 2 243.354 2.635 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000568856611 326379341 /nfs/dbraw/zinc/37/93/41/326379341.db2.gz CWTTUONCVTZQDB-WCBMZHEXSA-N 2 2 244.741 2.867 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000569141183 326392943 /nfs/dbraw/zinc/39/29/43/326392943.db2.gz VCPVGSBRHWEZFE-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CC1 ZINC000573030178 326425551 /nfs/dbraw/zinc/42/55/51/326425551.db2.gz HSWRWAUYMGDZKJ-HNNXBMFYSA-N 2 2 247.386 2.744 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000235510506 487975327 /nfs/dbraw/zinc/97/53/27/487975327.db2.gz DEPWINOSPKABGJ-UONOGXRCSA-N 2 2 232.371 2.788 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](Cc2ccco2)C(C)C)n1C ZINC000667496981 488028792 /nfs/dbraw/zinc/02/87/92/488028792.db2.gz NFTOGMHTOBRGBI-UHFFFAOYSA-N 2 2 247.342 2.732 20 0 BFADLP Cc1[nH+]cc(C[N@H+](Cc2ccco2)C(C)C)n1C ZINC000667496981 488028800 /nfs/dbraw/zinc/02/88/00/488028800.db2.gz NFTOGMHTOBRGBI-UHFFFAOYSA-N 2 2 247.342 2.732 20 0 BFADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Cl)cs1 ZINC000685452080 488035433 /nfs/dbraw/zinc/03/54/33/488035433.db2.gz WGABCUQIRWHHHH-UHFFFAOYSA-N 2 2 246.807 2.785 20 0 BFADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Cl)cs1 ZINC000685452080 488035438 /nfs/dbraw/zinc/03/54/38/488035438.db2.gz WGABCUQIRWHHHH-UHFFFAOYSA-N 2 2 246.807 2.785 20 0 BFADLP c1[nH+]c2n(c1C[N@@H+]1CCC[C@@H]3CCC[C@@H]31)CCC2 ZINC000667555992 488044864 /nfs/dbraw/zinc/04/48/64/488044864.db2.gz VLRJGKFDLCEJHZ-JSGCOSHPSA-N 2 2 245.370 2.594 20 0 BFADLP c1[nH+]c2n(c1C[N@H+]1CCC[C@@H]3CCC[C@@H]31)CCC2 ZINC000667555992 488044870 /nfs/dbraw/zinc/04/48/70/488044870.db2.gz VLRJGKFDLCEJHZ-JSGCOSHPSA-N 2 2 245.370 2.594 20 0 BFADLP CC(C)(C)[C@@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667590430 488053833 /nfs/dbraw/zinc/05/38/33/488053833.db2.gz VRDHNFFPRHZCDX-ZDUSSCGKSA-N 2 2 247.386 2.840 20 0 BFADLP CC(C)[C@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667643179 488067755 /nfs/dbraw/zinc/06/77/55/488067755.db2.gz XEGRMJXRPKUNER-CQSZACIVSA-N 2 2 247.386 2.840 20 0 BFADLP CC(C)[C@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667643179 488067761 /nfs/dbraw/zinc/06/77/61/488067761.db2.gz XEGRMJXRPKUNER-CQSZACIVSA-N 2 2 247.386 2.840 20 0 BFADLP CC(C)[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667643178 488068268 /nfs/dbraw/zinc/06/82/68/488068268.db2.gz XEGRMJXRPKUNER-AWEZNQCLSA-N 2 2 247.386 2.840 20 0 BFADLP CC(C)[C@@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667643178 488068271 /nfs/dbraw/zinc/06/82/71/488068271.db2.gz XEGRMJXRPKUNER-AWEZNQCLSA-N 2 2 247.386 2.840 20 0 BFADLP CC[C@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)CC1 ZINC000667655413 488076330 /nfs/dbraw/zinc/07/63/30/488076330.db2.gz FFXXZFOPBXCIQA-ZDUSSCGKSA-N 2 2 235.375 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCCC(C)(C)CC2)n1C ZINC000667668521 488082081 /nfs/dbraw/zinc/08/20/81/488082081.db2.gz PXZZLZDJRXVSNZ-UHFFFAOYSA-N 2 2 235.375 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCCC(C)(C)CC2)n1C ZINC000667668521 488082085 /nfs/dbraw/zinc/08/20/85/488082085.db2.gz PXZZLZDJRXVSNZ-UHFFFAOYSA-N 2 2 235.375 2.741 20 0 BFADLP CCn1c[nH+]cc1C[NH+]1C2CCCC1CCC2 ZINC000669508170 488108163 /nfs/dbraw/zinc/10/81/63/488108163.db2.gz VPKPPKZFNOCVMI-UHFFFAOYSA-N 2 2 233.359 2.810 20 0 BFADLP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CC1CC=CC1 ZINC000662287404 487537759 /nfs/dbraw/zinc/53/77/59/487537759.db2.gz ZMHCMMVVTZEBPG-INIZCTEOSA-N 2 2 242.366 2.511 20 0 BFADLP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CC1CC=CC1 ZINC000662287404 487537764 /nfs/dbraw/zinc/53/77/64/487537764.db2.gz ZMHCMMVVTZEBPG-INIZCTEOSA-N 2 2 242.366 2.511 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378956655 488112300 /nfs/dbraw/zinc/11/23/00/488112300.db2.gz MPNPQBMMCJJNHE-APIJFGDWSA-N 2 2 236.403 2.639 20 0 BFADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccoc1 ZINC000683140889 488118429 /nfs/dbraw/zinc/11/84/29/488118429.db2.gz HPQXFUATKAMWDQ-UHFFFAOYSA-N 2 2 238.375 2.833 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccoc1 ZINC000683140889 488118432 /nfs/dbraw/zinc/11/84/32/488118432.db2.gz HPQXFUATKAMWDQ-UHFFFAOYSA-N 2 2 238.375 2.833 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000382105336 487530604 /nfs/dbraw/zinc/53/06/04/487530604.db2.gz COTGZTPAHJPXMH-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000382105336 487530606 /nfs/dbraw/zinc/53/06/06/487530606.db2.gz COTGZTPAHJPXMH-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H](C[N@H+](C)CCCn1cc[nH+]c1)C(C)(C)C ZINC000685462505 487530391 /nfs/dbraw/zinc/53/03/91/487530391.db2.gz WSAYUFWFGVTDEM-ZDUSSCGKSA-N 2 2 237.391 2.887 20 0 BFADLP C[C@@H](C[N@@H+](C)CCCn1cc[nH+]c1)C(C)(C)C ZINC000685462505 487530394 /nfs/dbraw/zinc/53/03/94/487530394.db2.gz WSAYUFWFGVTDEM-ZDUSSCGKSA-N 2 2 237.391 2.887 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000393916371 487474812 /nfs/dbraw/zinc/47/48/12/487474812.db2.gz JFKDXYXDYOTNHD-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000393916371 487474814 /nfs/dbraw/zinc/47/48/14/487474814.db2.gz JFKDXYXDYOTNHD-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](CCC)C1 ZINC000393916372 487474967 /nfs/dbraw/zinc/47/49/67/487474967.db2.gz JFKDXYXDYOTNHD-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](CCC)C1 ZINC000393916372 487474971 /nfs/dbraw/zinc/47/49/71/487474971.db2.gz JFKDXYXDYOTNHD-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668226912 487487598 /nfs/dbraw/zinc/48/75/98/487487598.db2.gz WTIUXUWKIJZTOY-QWHCGFSZSA-N 2 2 247.386 2.840 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668226912 487487603 /nfs/dbraw/zinc/48/76/03/487487603.db2.gz WTIUXUWKIJZTOY-QWHCGFSZSA-N 2 2 247.386 2.840 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]CC1(C)CCC1 ZINC000381337366 487504410 /nfs/dbraw/zinc/50/44/10/487504410.db2.gz WEOFIDADNUBPFM-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561597 488135189 /nfs/dbraw/zinc/13/51/89/488135189.db2.gz BVPYFRIGNFUWHK-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)C[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561597 488135195 /nfs/dbraw/zinc/13/51/95/488135195.db2.gz BVPYFRIGNFUWHK-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP c1oc2ccccc2c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000259084836 488149661 /nfs/dbraw/zinc/14/96/61/488149661.db2.gz SYJIXIJYNLWJIC-ZDUSSCGKSA-N 2 2 244.338 2.665 20 0 BFADLP C[C@@H]1C[N@H+](Cc2c[nH+]c3n2CCC3)CC(C)(C)C1 ZINC000667969098 488171190 /nfs/dbraw/zinc/17/11/90/488171190.db2.gz DBDDSKSGFCUGKZ-LBPRGKRZSA-N 2 2 247.386 2.697 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2c[nH+]c3n2CCC3)CC(C)(C)C1 ZINC000667969098 488171192 /nfs/dbraw/zinc/17/11/92/488171192.db2.gz DBDDSKSGFCUGKZ-LBPRGKRZSA-N 2 2 247.386 2.697 20 0 BFADLP CCC[C@@H]1CCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667984564 488176257 /nfs/dbraw/zinc/17/62/57/488176257.db2.gz WYPNFGDCGLGMTP-CYBMUJFWSA-N 2 2 247.386 2.984 20 0 BFADLP CCC[C@@H]1CCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667984564 488176259 /nfs/dbraw/zinc/17/62/59/488176259.db2.gz WYPNFGDCGLGMTP-CYBMUJFWSA-N 2 2 247.386 2.984 20 0 BFADLP C[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)CC1(C)C ZINC000667988035 488176875 /nfs/dbraw/zinc/17/68/75/488176875.db2.gz ZFFNUOGRWFBLFG-LBPRGKRZSA-N 2 2 247.386 2.697 20 0 BFADLP C[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)CC1(C)C ZINC000667988035 488176877 /nfs/dbraw/zinc/17/68/77/488176877.db2.gz ZFFNUOGRWFBLFG-LBPRGKRZSA-N 2 2 247.386 2.697 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@H](C(C)C)C2)n1C ZINC000668030615 488191213 /nfs/dbraw/zinc/19/12/13/488191213.db2.gz XENNTWULSKQTDV-ZDUSSCGKSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@H](C(C)C)C2)n1C ZINC000668030615 488191217 /nfs/dbraw/zinc/19/12/17/488191217.db2.gz XENNTWULSKQTDV-ZDUSSCGKSA-N 2 2 235.375 2.597 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000668047486 488195336 /nfs/dbraw/zinc/19/53/36/488195336.db2.gz CKLAOBQZCTZPRY-UPJWGTAASA-N 2 2 247.386 2.696 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000683693739 488207897 /nfs/dbraw/zinc/20/78/97/488207897.db2.gz CNPAFLGQCSJCGG-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000683693739 488207898 /nfs/dbraw/zinc/20/78/98/488207898.db2.gz CNPAFLGQCSJCGG-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C[NH+](C)C ZINC000668154784 488210562 /nfs/dbraw/zinc/21/05/62/488210562.db2.gz VXXSARZYIXIDNY-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP c1csc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678234482 488221907 /nfs/dbraw/zinc/22/19/07/488221907.db2.gz GFAMTHQCWIBFKI-LBPRGKRZSA-N 2 2 247.367 2.782 20 0 BFADLP c1csc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000678234482 488221910 /nfs/dbraw/zinc/22/19/10/488221910.db2.gz GFAMTHQCWIBFKI-LBPRGKRZSA-N 2 2 247.367 2.782 20 0 BFADLP C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000398676977 488222813 /nfs/dbraw/zinc/22/28/13/488222813.db2.gz VSIATYRVRYSYKB-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)C1CCC1 ZINC000398676977 488222816 /nfs/dbraw/zinc/22/28/16/488222816.db2.gz VSIATYRVRYSYKB-LSDHHAIUSA-N 2 2 236.403 2.783 20 0 BFADLP c1cn2c(cccc2C[NH2+]CCCC2CC2)[nH+]1 ZINC000678303340 488239408 /nfs/dbraw/zinc/23/94/08/488239408.db2.gz SECCECNOSMYZIQ-UHFFFAOYSA-N 2 2 229.327 2.614 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)CC2 ZINC000678583861 488268453 /nfs/dbraw/zinc/26/84/53/488268453.db2.gz BEHJFECMADZWQB-WQVCFCJDSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)CC2 ZINC000678583861 488268455 /nfs/dbraw/zinc/26/84/55/488268455.db2.gz BEHJFECMADZWQB-WQVCFCJDSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CC2 ZINC000211727892 488323123 /nfs/dbraw/zinc/32/31/23/488323123.db2.gz RJVREUPLXTWPBO-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)CC2 ZINC000211727892 488323125 /nfs/dbraw/zinc/32/31/25/488323125.db2.gz RJVREUPLXTWPBO-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000068986928 490137946 /nfs/dbraw/zinc/13/79/46/490137946.db2.gz NQPZJCWGIZSCSJ-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000068986928 490137952 /nfs/dbraw/zinc/13/79/52/490137952.db2.gz NQPZJCWGIZSCSJ-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000300315840 490555614 /nfs/dbraw/zinc/55/56/14/490555614.db2.gz LIGMMSGMCJSNOJ-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000300315840 490555617 /nfs/dbraw/zinc/55/56/17/490555617.db2.gz LIGMMSGMCJSNOJ-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227191449 491055783 /nfs/dbraw/zinc/05/57/83/491055783.db2.gz FIBNCCXLBWCUMY-UONOGXRCSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227191449 491055784 /nfs/dbraw/zinc/05/57/84/491055784.db2.gz FIBNCCXLBWCUMY-UONOGXRCSA-N 2 2 226.408 2.883 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000227871652 491066568 /nfs/dbraw/zinc/06/65/68/491066568.db2.gz BDTPEQGAVKNUND-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C3CC3)C2)C1 ZINC000227871652 491066569 /nfs/dbraw/zinc/06/65/69/491066569.db2.gz BDTPEQGAVKNUND-KFWWJZLASA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000229593892 491116471 /nfs/dbraw/zinc/11/64/71/491116471.db2.gz WTLOTONQNZTXRD-ZIAGYGMSSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCC1 ZINC000313252860 491121678 /nfs/dbraw/zinc/12/16/78/491121678.db2.gz PBNRJNFXZWBYEY-AWEZNQCLSA-N 2 2 235.375 2.521 20 0 BFADLP C[N@@H+](Cc1cccc(C2CC2)c1)CC1C[NH+](C)C1 ZINC000668538519 491127310 /nfs/dbraw/zinc/12/73/10/491127310.db2.gz BLZHMQNEJDWWFZ-UHFFFAOYSA-N 2 2 244.382 2.557 20 0 BFADLP C[N@H+](Cc1cccc(C2CC2)c1)CC1C[NH+](C)C1 ZINC000668538519 491127311 /nfs/dbraw/zinc/12/73/11/491127311.db2.gz BLZHMQNEJDWWFZ-UHFFFAOYSA-N 2 2 244.382 2.557 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CC1(C)CCC1 ZINC000309982412 491159320 /nfs/dbraw/zinc/15/93/20/491159320.db2.gz WTYUCDQATOOPSQ-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CC1(C)CCC1 ZINC000309982412 491159321 /nfs/dbraw/zinc/15/93/21/491159321.db2.gz WTYUCDQATOOPSQ-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]([NH2+]Cc1ccc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000400420263 533919216 /nfs/dbraw/zinc/91/92/16/533919216.db2.gz WQFAORHIBXZJMT-WCBMZHEXSA-N 2 2 244.791 2.632 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000078466362 535539947 /nfs/dbraw/zinc/53/99/47/535539947.db2.gz NPVLGYJWGRMVGX-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)[C@@H]1C ZINC000494947633 533950886 /nfs/dbraw/zinc/95/08/86/533950886.db2.gz ALDPHSHUWLIAHT-MQYQWHSLSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)[C@@H]1C ZINC000494947633 533950895 /nfs/dbraw/zinc/95/08/95/533950895.db2.gz ALDPHSHUWLIAHT-MQYQWHSLSA-N 2 2 238.419 2.741 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179878361 535609734 /nfs/dbraw/zinc/60/97/34/535609734.db2.gz SHAGSDMWBNGULP-LSDHHAIUSA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179878361 535609738 /nfs/dbraw/zinc/60/97/38/535609738.db2.gz SHAGSDMWBNGULP-LSDHHAIUSA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000349034989 535611812 /nfs/dbraw/zinc/61/18/12/535611812.db2.gz OPVRCTSJDULYGB-KKUMJFAQSA-N 2 2 238.419 2.981 20 0 BFADLP CCC[C@H](C)C[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000349034989 535611814 /nfs/dbraw/zinc/61/18/14/535611814.db2.gz OPVRCTSJDULYGB-KKUMJFAQSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]1C[C@H]1C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000488313265 534020411 /nfs/dbraw/zinc/02/04/11/534020411.db2.gz LOJMZCATVCCDSF-QLFBSQMISA-N 2 2 236.403 2.593 20 0 BFADLP C[C@@H]1C[C@H]1C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000488313265 534020418 /nfs/dbraw/zinc/02/04/18/534020418.db2.gz LOJMZCATVCCDSF-QLFBSQMISA-N 2 2 236.403 2.593 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000449257395 534230924 /nfs/dbraw/zinc/23/09/24/534230924.db2.gz IRFFZJZMVBMAQK-XJFOESAGSA-N 2 2 247.386 2.612 20 0 BFADLP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459368825 527876585 /nfs/dbraw/zinc/87/65/85/527876585.db2.gz DHHWBUQXQWMTSK-DZGCQCFKSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459368825 527876590 /nfs/dbraw/zinc/87/65/90/527876590.db2.gz DHHWBUQXQWMTSK-DZGCQCFKSA-N 2 2 249.402 2.863 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]C(C)(C)C[NH+](C)C)C1 ZINC000308612985 528134122 /nfs/dbraw/zinc/13/41/22/528134122.db2.gz HYUAVEMVPCCKPC-OCCSQVGLSA-N 2 2 238.419 2.909 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(C(C)C)C1 ZINC000488422706 529015466 /nfs/dbraw/zinc/01/54/66/529015466.db2.gz POJRJZJOXNDNRW-NRXISQOPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(C(C)C)C1 ZINC000488422706 529015470 /nfs/dbraw/zinc/01/54/70/529015470.db2.gz POJRJZJOXNDNRW-NRXISQOPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000480334554 529283137 /nfs/dbraw/zinc/28/31/37/529283137.db2.gz KDGDNBXVTXRBEF-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000480334554 529283141 /nfs/dbraw/zinc/28/31/41/529283141.db2.gz KDGDNBXVTXRBEF-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000224173112 535152378 /nfs/dbraw/zinc/15/23/78/535152378.db2.gz RNLGOQUBOOASDJ-UHFFFAOYSA-N 2 2 241.338 2.762 20 0 BFADLP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261593608 535509698 /nfs/dbraw/zinc/50/96/98/535509698.db2.gz WZGSRXLIMPNWMS-VXGBXAGGSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261593608 535509702 /nfs/dbraw/zinc/50/97/02/535509702.db2.gz WZGSRXLIMPNWMS-VXGBXAGGSA-N 2 2 212.381 2.624 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000249763200 535541167 /nfs/dbraw/zinc/54/11/67/535541167.db2.gz XTEXEUITGOHLCO-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](C)C2CCCC2)C1 ZINC000249763200 535541172 /nfs/dbraw/zinc/54/11/72/535541172.db2.gz XTEXEUITGOHLCO-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000343072590 535781556 /nfs/dbraw/zinc/78/15/56/535781556.db2.gz QGPIUBFTPNPNMG-DZGCQCFKSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC000343072590 535781560 /nfs/dbraw/zinc/78/15/60/535781560.db2.gz QGPIUBFTPNPNMG-DZGCQCFKSA-N 2 2 236.403 2.807 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000348294201 535824845 /nfs/dbraw/zinc/82/48/45/535824845.db2.gz QGSQNECPTIDTTE-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000348294201 535824846 /nfs/dbraw/zinc/82/48/46/535824846.db2.gz QGSQNECPTIDTTE-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000226014826 536375842 /nfs/dbraw/zinc/37/58/42/536375842.db2.gz YQMDPIGLRSEHGR-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000226014826 536375844 /nfs/dbraw/zinc/37/58/44/536375844.db2.gz YQMDPIGLRSEHGR-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348415834 537904947 /nfs/dbraw/zinc/90/49/47/537904947.db2.gz SFEPGNVDQVEQDR-CABCVRRESA-N 2 2 230.355 2.711 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348415843 537905113 /nfs/dbraw/zinc/90/51/13/537905113.db2.gz SFEPGNVDQVEQDR-LSDHHAIUSA-N 2 2 230.355 2.711 20 0 BFADLP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000348257813 566267543 /nfs/dbraw/zinc/26/75/43/566267543.db2.gz SLYHPJBTKHINHP-ARFHVFGLSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@@H]1CC[C@@H]1C1CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000348257813 566267551 /nfs/dbraw/zinc/26/75/51/566267551.db2.gz SLYHPJBTKHINHP-ARFHVFGLSA-N 2 2 248.414 2.782 20 0 BFADLP CCC[C@H](C)[NH2+]CCc1cn2cccc(C)c2[nH+]1 ZINC000156312831 566476579 /nfs/dbraw/zinc/47/65/79/566476579.db2.gz QGRCFBZIRGKSKP-ZDUSSCGKSA-N 2 2 245.370 2.963 20 0 BFADLP Cc1cc[nH+]c(NCc2[nH+]ccn2C2CC2)c1 ZINC000892636548 582935446 /nfs/dbraw/zinc/93/54/46/582935446.db2.gz DJUHRNQJVYCUOV-UHFFFAOYSA-N 2 2 228.299 2.534 20 0 BFADLP CCCSC[C@@H](C)[NH2+]CC[N@H+](CC)C1CC1 ZINC000892793753 582983703 /nfs/dbraw/zinc/98/37/03/582983703.db2.gz UYQRWEZVZIEVAN-GFCCVEGCSA-N 2 2 244.448 2.592 20 0 BFADLP CCCSC[C@@H](C)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000892793753 582983705 /nfs/dbraw/zinc/98/37/05/582983705.db2.gz UYQRWEZVZIEVAN-GFCCVEGCSA-N 2 2 244.448 2.592 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CC1CC(C)C1 ZINC000857064162 588884987 /nfs/dbraw/zinc/88/49/87/588884987.db2.gz SCLQKZUHHPJKRT-UHFFFAOYSA-N 2 2 232.371 2.958 20 0 BFADLP Cc1coc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000893965720 583263378 /nfs/dbraw/zinc/26/33/78/583263378.db2.gz AMXJTALWBDKPOY-LBPRGKRZSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1coc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000893965720 583263380 /nfs/dbraw/zinc/26/33/80/583263380.db2.gz AMXJTALWBDKPOY-LBPRGKRZSA-N 2 2 245.326 2.691 20 0 BFADLP CCCC[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000726695577 583368499 /nfs/dbraw/zinc/36/84/99/583368499.db2.gz HPCJNQWTKXAGSY-OAHLLOKOSA-N 2 2 234.387 2.549 20 0 BFADLP C[C@H]1CCc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000894369760 583440299 /nfs/dbraw/zinc/44/02/99/583440299.db2.gz CMMLDKPSPSCDJE-NHYWBVRUSA-N 2 2 241.338 2.823 20 0 BFADLP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000894369757 583440335 /nfs/dbraw/zinc/44/03/35/583440335.db2.gz CMMLDKPSPSCDJE-ABAIWWIYSA-N 2 2 241.338 2.823 20 0 BFADLP CCC(C)(C)CC[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880131165 583470785 /nfs/dbraw/zinc/47/07/85/583470785.db2.gz HRVUYOBGTRTPFL-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880131165 583470788 /nfs/dbraw/zinc/47/07/88/583470788.db2.gz HRVUYOBGTRTPFL-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880131165 583470789 /nfs/dbraw/zinc/47/07/89/583470789.db2.gz HRVUYOBGTRTPFL-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(C)(C)CC[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880131165 583470791 /nfs/dbraw/zinc/47/07/91/583470791.db2.gz HRVUYOBGTRTPFL-UONOGXRCSA-N 2 2 238.419 2.981 20 0 BFADLP c1[nH]c(C[NH2+]CC2CC(c3ccccc3)C2)c[nH+]1 ZINC000894683930 583507828 /nfs/dbraw/zinc/50/78/28/583507828.db2.gz WENJTFUOPGJEST-UHFFFAOYSA-N 2 2 241.338 2.693 20 0 BFADLP Cc1coc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000894748771 583515173 /nfs/dbraw/zinc/51/51/73/583515173.db2.gz RTDWWDIYEIRGCW-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1coc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000894748771 583515175 /nfs/dbraw/zinc/51/51/75/583515175.db2.gz RTDWWDIYEIRGCW-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1coc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000894748771 583515176 /nfs/dbraw/zinc/51/51/76/583515176.db2.gz RTDWWDIYEIRGCW-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP Cc1coc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000894748771 583515178 /nfs/dbraw/zinc/51/51/78/583515178.db2.gz RTDWWDIYEIRGCW-PBWFPOADSA-N 2 2 248.370 2.645 20 0 BFADLP CC1(C)CCC[C@H](C[NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000894942655 583557573 /nfs/dbraw/zinc/55/75/73/583557573.db2.gz YPMUGQXTSZQWGZ-NSHDSACASA-N 2 2 221.348 2.716 20 0 BFADLP Cc1ccoc1C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000895670393 583706089 /nfs/dbraw/zinc/70/60/89/583706089.db2.gz GAJQTUSOOVCEGR-UHFFFAOYSA-N 2 2 248.370 2.648 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000896555095 583812262 /nfs/dbraw/zinc/81/22/62/583812262.db2.gz YFIIOGRYXMPEOF-IIAWOOMASA-N 2 2 246.398 2.781 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000896555095 583812263 /nfs/dbraw/zinc/81/22/63/583812263.db2.gz YFIIOGRYXMPEOF-IIAWOOMASA-N 2 2 246.398 2.781 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2CC2)C[N@@H+]1C1CC1 ZINC000897438670 583984007 /nfs/dbraw/zinc/98/40/07/583984007.db2.gz GVQXNPJEMVVBEW-DGCLKSJQSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2CC2)C[N@H+]1C1CC1 ZINC000897438670 583984008 /nfs/dbraw/zinc/98/40/08/583984008.db2.gz GVQXNPJEMVVBEW-DGCLKSJQSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000858361874 588948584 /nfs/dbraw/zinc/94/85/84/588948584.db2.gz FZIMELRTOHJBJB-JKSUJKDBSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000858361874 588948586 /nfs/dbraw/zinc/94/85/86/588948586.db2.gz FZIMELRTOHJBJB-JKSUJKDBSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000858361873 588948719 /nfs/dbraw/zinc/94/87/19/588948719.db2.gz FZIMELRTOHJBJB-HZPDHXFCSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000858361873 588948720 /nfs/dbraw/zinc/94/87/20/588948720.db2.gz FZIMELRTOHJBJB-HZPDHXFCSA-N 2 2 246.398 2.692 20 0 BFADLP CC1(C)CC[N@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000898033936 584077923 /nfs/dbraw/zinc/07/79/23/584077923.db2.gz DPEQEPXIQSEZOR-CYBMUJFWSA-N 2 2 236.403 2.641 20 0 BFADLP CC1(C)CC[N@@H+](CC[NH2+][C@@H]2CCCC23CC3)C1 ZINC000898033936 584077924 /nfs/dbraw/zinc/07/79/24/584077924.db2.gz DPEQEPXIQSEZOR-CYBMUJFWSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000858465413 588957363 /nfs/dbraw/zinc/95/73/63/588957363.db2.gz XYAAJLOMQMFPEV-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1occc1C[N@@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307703 584109783 /nfs/dbraw/zinc/10/97/83/584109783.db2.gz FSDMAZNRZVWNBX-UHFFFAOYSA-N 2 2 238.375 2.608 20 0 BFADLP Cc1occc1C[N@H+](C)CC(C)(C)C[NH+](C)C ZINC000898307703 584109784 /nfs/dbraw/zinc/10/97/84/584109784.db2.gz FSDMAZNRZVWNBX-UHFFFAOYSA-N 2 2 238.375 2.608 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000858465413 588957365 /nfs/dbraw/zinc/95/73/65/588957365.db2.gz XYAAJLOMQMFPEV-YUELXQCFSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)Nc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c[nH+]1 ZINC000899328301 584197962 /nfs/dbraw/zinc/19/79/62/584197962.db2.gz QIJYLAYIXSGQHE-KGLIPLIRSA-N 2 2 243.354 2.810 20 0 BFADLP CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902429925 584594770 /nfs/dbraw/zinc/59/47/70/584594770.db2.gz BGPLVHRHGYBHKD-SLBVQIDZSA-N 2 2 244.382 2.635 20 0 BFADLP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C1CCCC1 ZINC000902438330 584596376 /nfs/dbraw/zinc/59/63/76/584596376.db2.gz MOAAMZYEHSKDEX-HFBAOOFYSA-N 2 2 244.382 2.779 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000902442409 584597948 /nfs/dbraw/zinc/59/79/48/584597948.db2.gz BWVFAQIXXTUDRR-ZIAGYGMSSA-N 2 2 232.371 2.725 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC2(C)C)s1 ZINC000902443968 584598489 /nfs/dbraw/zinc/59/84/89/584598489.db2.gz GOYMLDSUWHIOAX-CMPLNLGQSA-N 2 2 238.400 2.705 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902444418 584598912 /nfs/dbraw/zinc/59/89/12/584598912.db2.gz NKFGYOMOQPQQMR-UIBBOPPKSA-N 2 2 244.382 2.779 20 0 BFADLP CC[C@H]([NH2+]CC1([NH3+])CC1)c1cc(C)ccc1OC ZINC000902414575 584600593 /nfs/dbraw/zinc/60/05/93/584600593.db2.gz XTZQHDXFTZMEBH-ZDUSSCGKSA-N 2 2 248.370 2.536 20 0 BFADLP CC[C@@H]([NH2+]CC1([NH3+])CC1)c1cc(C)ccc1OC ZINC000902414574 584600711 /nfs/dbraw/zinc/60/07/11/584600711.db2.gz XTZQHDXFTZMEBH-CYBMUJFWSA-N 2 2 248.370 2.536 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902472659 584600889 /nfs/dbraw/zinc/60/08/89/584600889.db2.gz DIYIGVJVCNTHCT-BQDHKBFISA-N 2 2 244.382 2.793 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC000902472537 584601087 /nfs/dbraw/zinc/60/10/87/584601087.db2.gz CPZRHWPOOVEOGV-REBRKWNGSA-N 2 2 230.355 2.539 20 0 BFADLP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472507 584601117 /nfs/dbraw/zinc/60/11/17/584601117.db2.gz BTAGLBRVFVHBPW-LPTSXCQYSA-N 2 2 248.395 2.608 20 0 BFADLP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472667 584601129 /nfs/dbraw/zinc/60/11/29/584601129.db2.gz DYKUJPJCOXHGIJ-SYAUCNOPSA-N 2 2 242.366 2.547 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccs1 ZINC000902472463 584601132 /nfs/dbraw/zinc/60/11/32/584601132.db2.gz AGWOEJSFHIGLRX-NOOOWODRSA-N 2 2 236.384 2.682 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000902473157 584601250 /nfs/dbraw/zinc/60/12/50/584601250.db2.gz SRFPXZIEZQLLAP-LQKXBSAESA-N 2 2 244.382 2.847 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000902479601 584604203 /nfs/dbraw/zinc/60/42/03/584604203.db2.gz ZNXGGHFPVNXEGD-GJZGRUSLSA-N 2 2 247.386 2.655 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1cccnc1 ZINC000902447278 584605001 /nfs/dbraw/zinc/60/50/01/584605001.db2.gz XWYSLTJWKFJSJB-UONOGXRCSA-N 2 2 247.386 2.510 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1cccnc1 ZINC000902447277 584605017 /nfs/dbraw/zinc/60/50/17/584605017.db2.gz XWYSLTJWKFJSJB-KGLIPLIRSA-N 2 2 247.386 2.510 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902447543 584605020 /nfs/dbraw/zinc/60/50/20/584605020.db2.gz ZDSOMDICESRVGU-NILFDRSVSA-N 2 2 232.371 2.779 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902449206 584605818 /nfs/dbraw/zinc/60/58/18/584605818.db2.gz MPOOGKBBINOVMC-CABCVRRESA-N 2 2 244.382 2.570 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902463969 584612320 /nfs/dbraw/zinc/61/23/20/584612320.db2.gz BXCODZNVKFOXSP-UVABKVKNSA-N 2 2 242.366 2.717 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1 ZINC000902467909 584614974 /nfs/dbraw/zinc/61/49/74/584614974.db2.gz RLQNNAFCARDKPT-BYNSBNAKSA-N 2 2 230.355 2.620 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000902491301 584618406 /nfs/dbraw/zinc/61/84/06/584618406.db2.gz XGJTVCULGNSJJD-DZGCQCFKSA-N 2 2 232.371 2.869 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1cccs1 ZINC000902486507 584625881 /nfs/dbraw/zinc/62/58/81/584625881.db2.gz FPDJIJALKRBRQB-NWDGAFQWSA-N 2 2 238.400 2.931 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cccs1 ZINC000902486508 584626028 /nfs/dbraw/zinc/62/60/28/584626028.db2.gz FPDJIJALKRBRQB-RYUDHWBXSA-N 2 2 238.400 2.931 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902735682 584662590 /nfs/dbraw/zinc/66/25/90/584662590.db2.gz IAZHLTJHTISSIN-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902735684 584662685 /nfs/dbraw/zinc/66/26/85/584662685.db2.gz IAZHLTJHTISSIN-ZIAGYGMSSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H](C[NH2+]C1C[C@@H]2CCC[C@H]2C1)[N@H+](C)C1CC1 ZINC000902794517 584674248 /nfs/dbraw/zinc/67/42/48/584674248.db2.gz XCKDSGNTGMXYKM-AGIUHOORSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+]C1C[C@@H]2CCC[C@H]2C1)[N@@H+](C)C1CC1 ZINC000902794517 584674249 /nfs/dbraw/zinc/67/42/49/584674249.db2.gz XCKDSGNTGMXYKM-AGIUHOORSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000903162395 584731486 /nfs/dbraw/zinc/73/14/86/584731486.db2.gz FAIWOXQMZOWCHY-VDERGJSUSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000903162395 584731488 /nfs/dbraw/zinc/73/14/88/584731488.db2.gz FAIWOXQMZOWCHY-VDERGJSUSA-N 2 2 248.414 2.639 20 0 BFADLP CC[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)[C@@H]1C[C@@H]1C ZINC000903197644 584734843 /nfs/dbraw/zinc/73/48/43/584734843.db2.gz RWLHVDOBDKKHKW-GLQYFDAESA-N 2 2 247.386 2.672 20 0 BFADLP CC[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)[C@H]1C[C@@H]1C ZINC000903197642 584734875 /nfs/dbraw/zinc/73/48/75/584734875.db2.gz RWLHVDOBDKKHKW-CQDKDKBSSA-N 2 2 247.386 2.672 20 0 BFADLP CN(C)c1cc[nH+]c(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000903197147 584735093 /nfs/dbraw/zinc/73/50/93/584735093.db2.gz LKDRSGGJWDEJCF-CQSZACIVSA-N 2 2 245.370 2.570 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903304185 584743017 /nfs/dbraw/zinc/74/30/17/584743017.db2.gz ZNTBPFAWNTVXPP-MJBXVCDLSA-N 2 2 224.392 2.804 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903304185 584743018 /nfs/dbraw/zinc/74/30/18/584743018.db2.gz ZNTBPFAWNTVXPP-MJBXVCDLSA-N 2 2 224.392 2.804 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H]1C ZINC000903300813 584743673 /nfs/dbraw/zinc/74/36/73/584743673.db2.gz KVPOGGRBZDPWSU-NOXHYTERSA-N 2 2 244.382 2.602 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]1C ZINC000903300813 584743675 /nfs/dbraw/zinc/74/36/75/584743675.db2.gz KVPOGGRBZDPWSU-NOXHYTERSA-N 2 2 244.382 2.602 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000903301539 584744723 /nfs/dbraw/zinc/74/47/23/584744723.db2.gz RQXHQZNTIALSJK-LZWOXQAQSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000903301539 584744724 /nfs/dbraw/zinc/74/47/24/584744724.db2.gz RQXHQZNTIALSJK-LZWOXQAQSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903300989 584745104 /nfs/dbraw/zinc/74/51/04/584745104.db2.gz MQUBWMLNPFJZCG-DZKIICNBSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903300989 584745105 /nfs/dbraw/zinc/74/51/05/584745105.db2.gz MQUBWMLNPFJZCG-DZKIICNBSA-N 2 2 246.398 2.608 20 0 BFADLP CCCCC1([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000903311628 584748011 /nfs/dbraw/zinc/74/80/11/584748011.db2.gz QRZMZHOXAZTLKI-QWHCGFSZSA-N 2 2 236.403 2.924 20 0 BFADLP CCCCC1([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000903311628 584748013 /nfs/dbraw/zinc/74/80/13/584748013.db2.gz QRZMZHOXAZTLKI-QWHCGFSZSA-N 2 2 236.403 2.924 20 0 BFADLP CC[C@@H](C)[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440122 584763082 /nfs/dbraw/zinc/76/30/82/584763082.db2.gz UALYWBBHCIFYID-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](C)[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440122 584763083 /nfs/dbraw/zinc/76/30/83/584763083.db2.gz UALYWBBHCIFYID-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440441 584763366 /nfs/dbraw/zinc/76/33/66/584763366.db2.gz XYAUXQFQZWARSK-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440441 584763367 /nfs/dbraw/zinc/76/33/67/584763367.db2.gz XYAUXQFQZWARSK-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1cccc2cc[nH]c21 ZINC000903477066 584777476 /nfs/dbraw/zinc/77/74/76/584777476.db2.gz SNCCBBFNKXPHJU-YPMHNXCESA-N 2 2 243.354 2.732 20 0 BFADLP C[N@@H+](C[C@@H]1CC[C@H]([NH3+])C1)c1cccc2cc[nH]c21 ZINC000903477066 584777478 /nfs/dbraw/zinc/77/74/78/584777478.db2.gz SNCCBBFNKXPHJU-YPMHNXCESA-N 2 2 243.354 2.732 20 0 BFADLP CC(C)c1ccccc1C[N@H+](C)[C@@H]1CC[NH2+]C1 ZINC000903716530 584791685 /nfs/dbraw/zinc/79/16/85/584791685.db2.gz OJLRVWXDMRMZOC-CQSZACIVSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1ccccc1C[N@@H+](C)[C@@H]1CC[NH2+]C1 ZINC000903716530 584791686 /nfs/dbraw/zinc/79/16/86/584791686.db2.gz OJLRVWXDMRMZOC-CQSZACIVSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000903774892 584799164 /nfs/dbraw/zinc/79/91/64/584799164.db2.gz BERSULXAKALSJJ-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1ccccc1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000903774892 584799166 /nfs/dbraw/zinc/79/91/66/584799166.db2.gz BERSULXAKALSJJ-GFCCVEGCSA-N 2 2 220.360 2.589 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2Cc1ccc(F)cc1 ZINC000903795862 584800898 /nfs/dbraw/zinc/80/08/98/584800898.db2.gz QENHIHGFHOFSMB-DZGCQCFKSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2Cc1ccc(F)cc1 ZINC000903795862 584800899 /nfs/dbraw/zinc/80/08/99/584800899.db2.gz QENHIHGFHOFSMB-DZGCQCFKSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2Cc1cccc(F)c1 ZINC000903795654 584800997 /nfs/dbraw/zinc/80/09/97/584800997.db2.gz OETXOXYBMXQANH-UKRRQHHQSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2Cc1cccc(F)c1 ZINC000903795654 584801000 /nfs/dbraw/zinc/80/10/00/584801000.db2.gz OETXOXYBMXQANH-UKRRQHHQSA-N 2 2 248.345 2.529 20 0 BFADLP Cc1cc(N[C@H](C)C[C@H]2CCC[NH2+]2)c[nH+]c1C ZINC000903947707 584829555 /nfs/dbraw/zinc/82/95/55/584829555.db2.gz FVACEJDUKIGLLV-DGCLKSJQSA-N 2 2 233.359 2.641 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)[C@@H]1C ZINC000903951306 584830862 /nfs/dbraw/zinc/83/08/62/584830862.db2.gz VPMDWHUBQCXHCI-JTNHKYCSSA-N 2 2 233.359 2.578 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950319 584830947 /nfs/dbraw/zinc/83/09/47/584830947.db2.gz MAQIDJGTGUXNKO-LLVKDONJSA-N 2 2 221.348 2.578 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903953688 584831456 /nfs/dbraw/zinc/83/14/56/584831456.db2.gz IYKYUMYOONNXML-NSHDSACASA-N 2 2 233.359 2.722 20 0 BFADLP CC1(C)C[N@H+](C/C=C/c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000903987066 584836107 /nfs/dbraw/zinc/83/61/07/584836107.db2.gz XKOVRZGLOTXSCF-RDFMZFSFSA-N 2 2 248.345 2.508 20 0 BFADLP CC1(C)C[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1[NH3+] ZINC000903987066 584836108 /nfs/dbraw/zinc/83/61/08/584836108.db2.gz XKOVRZGLOTXSCF-RDFMZFSFSA-N 2 2 248.345 2.508 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904354928 584870636 /nfs/dbraw/zinc/87/06/36/584870636.db2.gz LVPVYIOQUSXQCR-SECBINFHSA-N 2 2 246.276 2.590 20 0 BFADLP C[NH2+]c1ccc(NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000904380510 584876578 /nfs/dbraw/zinc/87/65/78/584876578.db2.gz MWZCWDHBLROWCY-CQSZACIVSA-N 2 2 233.359 2.530 20 0 BFADLP CCCC(CCC)[NH2+]CCCn1cc[nH+]c1 ZINC000020506148 584883003 /nfs/dbraw/zinc/88/30/03/584883003.db2.gz UFZLLQXGUBRZCO-UHFFFAOYSA-N 2 2 223.364 2.832 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000766214218 584939944 /nfs/dbraw/zinc/93/99/44/584939944.db2.gz LNKKTWHHFUGLRG-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000766214218 584939945 /nfs/dbraw/zinc/93/99/45/584939945.db2.gz LNKKTWHHFUGLRG-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cccn2cc(CC[NH2+][C@H](C)C(C)C)[nH+]c12 ZINC000156301965 585021897 /nfs/dbraw/zinc/02/18/97/585021897.db2.gz CEEAYDVDWYRFGB-CYBMUJFWSA-N 2 2 245.370 2.819 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000839094113 585090742 /nfs/dbraw/zinc/09/07/42/585090742.db2.gz QVOFRDWQEUBRPU-AWEZNQCLSA-N 2 2 246.398 2.646 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1CCc2ccccc21 ZINC000839094114 585090807 /nfs/dbraw/zinc/09/08/07/585090807.db2.gz QVOFRDWQEUBRPU-CQSZACIVSA-N 2 2 246.398 2.646 20 0 BFADLP FCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000759344427 585369790 /nfs/dbraw/zinc/36/97/90/585369790.db2.gz YTSHRCQTVIWSND-CQSZACIVSA-N 2 2 242.382 2.544 20 0 BFADLP FCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000759344427 585369791 /nfs/dbraw/zinc/36/97/91/585369791.db2.gz YTSHRCQTVIWSND-CQSZACIVSA-N 2 2 242.382 2.544 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000806143599 585464760 /nfs/dbraw/zinc/46/47/60/585464760.db2.gz VVYKPXNNPDGVFL-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000806143599 585464761 /nfs/dbraw/zinc/46/47/61/585464761.db2.gz VVYKPXNNPDGVFL-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000764618146 585469209 /nfs/dbraw/zinc/46/92/09/585469209.db2.gz ISIFWBLEXDLQIN-INIZCTEOSA-N 2 2 244.382 2.668 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)c1C ZINC000765772606 585492474 /nfs/dbraw/zinc/49/24/74/585492474.db2.gz WYFBJMMJSSAMQJ-ZIAGYGMSSA-N 2 2 232.371 2.658 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)c1C ZINC000765772606 585492475 /nfs/dbraw/zinc/49/24/75/585492475.db2.gz WYFBJMMJSSAMQJ-ZIAGYGMSSA-N 2 2 232.371 2.658 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCc2ccccc21 ZINC000766272959 585500224 /nfs/dbraw/zinc/50/02/24/585500224.db2.gz MBKGOWBSAGGVSP-XJKSGUPXSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCc2ccccc21 ZINC000766272959 585500225 /nfs/dbraw/zinc/50/02/25/585500225.db2.gz MBKGOWBSAGGVSP-XJKSGUPXSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000768606299 585541045 /nfs/dbraw/zinc/54/10/45/585541045.db2.gz SUVMPPPVBIUEBU-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000768606299 585541046 /nfs/dbraw/zinc/54/10/46/585541046.db2.gz SUVMPPPVBIUEBU-ILXRZTDVSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C1CC(C(F)F)C1 ZINC000769537908 585559144 /nfs/dbraw/zinc/55/91/44/585559144.db2.gz ITNAVWKVNSLQAW-UHFFFAOYSA-N 2 2 240.297 2.566 20 0 BFADLP C[C@@H]([NH2+]Cc1cccc2[nH+]ccn21)C1(C)CC1 ZINC000769688682 585561944 /nfs/dbraw/zinc/56/19/44/585561944.db2.gz BUSPXGRAZQAKTN-LLVKDONJSA-N 2 2 229.327 2.613 20 0 BFADLP CC/C=C\CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770003351 585568993 /nfs/dbraw/zinc/56/89/93/585568993.db2.gz RAZWZSZBDAJZIZ-ZRUQZJFASA-N 2 2 247.386 2.956 20 0 BFADLP CC/C=C\CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000770003351 585568994 /nfs/dbraw/zinc/56/89/94/585568994.db2.gz RAZWZSZBDAJZIZ-ZRUQZJFASA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC1(C)CCCC1 ZINC000772963097 585628248 /nfs/dbraw/zinc/62/82/48/585628248.db2.gz JIIZUAKNFNBIID-GXTWGEPZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC1(C)CCCC1 ZINC000772963097 585628249 /nfs/dbraw/zinc/62/82/49/585628249.db2.gz JIIZUAKNFNBIID-GXTWGEPZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000775047854 585670903 /nfs/dbraw/zinc/67/09/03/585670903.db2.gz DYLPAMAZLJWTMG-GJZGRUSLSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@@H]1C)c1ccccc1 ZINC000775047854 585670904 /nfs/dbraw/zinc/67/09/04/585670904.db2.gz DYLPAMAZLJWTMG-GJZGRUSLSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000776350391 585696104 /nfs/dbraw/zinc/69/61/04/585696104.db2.gz JQLVNZBRYHKPCW-HZPDHXFCSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000776350391 585696105 /nfs/dbraw/zinc/69/61/05/585696105.db2.gz JQLVNZBRYHKPCW-HZPDHXFCSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000777130130 585709090 /nfs/dbraw/zinc/70/90/90/585709090.db2.gz PIMHZRMDPJIHTM-GGAZOKNXSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000777130130 585709091 /nfs/dbraw/zinc/70/90/91/585709091.db2.gz PIMHZRMDPJIHTM-GGAZOKNXSA-N 2 2 236.403 2.636 20 0 BFADLP CCCCC[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000779064221 585744760 /nfs/dbraw/zinc/74/47/60/585744760.db2.gz HDZSBGRPHGPCCV-STQMWFEESA-N 2 2 235.375 2.756 20 0 BFADLP CC[C@@](C)([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000796448861 586103279 /nfs/dbraw/zinc/10/32/79/586103279.db2.gz IUTGPIQQYVCPOY-CQSZACIVSA-N 2 2 229.327 2.825 20 0 BFADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)oc1C ZINC000809749923 586517064 /nfs/dbraw/zinc/51/70/64/586517064.db2.gz MVINQIRDFDZUJG-UHFFFAOYSA-N 2 2 238.375 2.670 20 0 BFADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)oc1C ZINC000809749923 586517065 /nfs/dbraw/zinc/51/70/65/586517065.db2.gz MVINQIRDFDZUJG-UHFFFAOYSA-N 2 2 238.375 2.670 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C1)c1cccc(C2CC2)c1 ZINC000815575782 586687758 /nfs/dbraw/zinc/68/77/58/586687758.db2.gz AIAVVJVDFGGGOK-BLLLJJGKSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C1)c1cccc(C2CC2)c1 ZINC000815575782 586687759 /nfs/dbraw/zinc/68/77/59/586687759.db2.gz AIAVVJVDFGGGOK-BLLLJJGKSA-N 2 2 244.382 2.919 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C)[C@@H]1C ZINC000816646686 586748604 /nfs/dbraw/zinc/74/86/04/586748604.db2.gz HOCICMDHELZUMY-STQMWFEESA-N 2 2 218.344 2.663 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C)[C@@H]1C ZINC000816646686 586748606 /nfs/dbraw/zinc/74/86/06/586748606.db2.gz HOCICMDHELZUMY-STQMWFEESA-N 2 2 218.344 2.663 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1csc2ccccc12 ZINC000817901364 586836535 /nfs/dbraw/zinc/83/65/35/586836535.db2.gz ZPOGYZLDHCPYBV-GHMZBOCLSA-N 2 2 246.379 2.914 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000817909112 586837045 /nfs/dbraw/zinc/83/70/45/586837045.db2.gz XXQBFHDUYXVEAV-HOCLYGCPSA-N 2 2 246.398 2.924 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000817907271 586837612 /nfs/dbraw/zinc/83/76/12/586837612.db2.gz ALRDTMKEZVUYGV-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1C ZINC000817972532 586859261 /nfs/dbraw/zinc/85/92/61/586859261.db2.gz MNRDAWZHOFZWNO-VXGBXAGGSA-N 2 2 238.350 2.783 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccns1 ZINC000860059033 589077780 /nfs/dbraw/zinc/07/77/80/589077780.db2.gz RXKZJYXYZMFMTH-LLVKDONJSA-N 2 2 241.404 2.526 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCCC12CCC2 ZINC000824097619 587255154 /nfs/dbraw/zinc/25/51/54/587255154.db2.gz AMBRFBKVTFQVCV-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CCCC12CCC2 ZINC000824097619 587255155 /nfs/dbraw/zinc/25/51/55/587255155.db2.gz AMBRFBKVTFQVCV-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C1CCC1 ZINC000824098748 587255805 /nfs/dbraw/zinc/25/58/05/587255805.db2.gz NLOURHIECHFSGD-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C1CCC1 ZINC000824098748 587255807 /nfs/dbraw/zinc/25/58/07/587255807.db2.gz NLOURHIECHFSGD-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C1[C@H](C)CC[C@H]1C ZINC000828515907 587446841 /nfs/dbraw/zinc/44/68/41/587446841.db2.gz LQQUSIQNDYDXIW-VXGBXAGGSA-N 2 2 232.371 2.957 20 0 BFADLP CC(C)=CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848575006 588396944 /nfs/dbraw/zinc/39/69/44/588396944.db2.gz KPZJURRTUTUYMU-ZIAGYGMSSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)=CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848575006 588396946 /nfs/dbraw/zinc/39/69/46/588396946.db2.gz KPZJURRTUTUYMU-ZIAGYGMSSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000850483552 588551578 /nfs/dbraw/zinc/55/15/78/588551578.db2.gz ZXYBRFIAIKCWAQ-MCIONIFRSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000850483552 588551580 /nfs/dbraw/zinc/55/15/80/588551580.db2.gz ZXYBRFIAIKCWAQ-MCIONIFRSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000850495148 588551924 /nfs/dbraw/zinc/55/19/24/588551924.db2.gz XJEIGGXEAAMEDP-MELADBBJSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000850495148 588551925 /nfs/dbraw/zinc/55/19/25/588551925.db2.gz XJEIGGXEAAMEDP-MELADBBJSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000863567828 589300217 /nfs/dbraw/zinc/30/02/17/589300217.db2.gz GZYWAIUXRQPQLK-LBPRGKRZSA-N 2 2 234.387 2.763 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cccc(C(C)(C)C)c1 ZINC000863567828 589300219 /nfs/dbraw/zinc/30/02/19/589300219.db2.gz GZYWAIUXRQPQLK-LBPRGKRZSA-N 2 2 234.387 2.763 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000866241266 589482300 /nfs/dbraw/zinc/48/23/00/589482300.db2.gz ZZAHRLBZPOWBLW-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000866241266 589482301 /nfs/dbraw/zinc/48/23/01/589482301.db2.gz ZZAHRLBZPOWBLW-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC000866243045 589482404 /nfs/dbraw/zinc/48/24/04/589482404.db2.gz VQOKFMDLDRUXSU-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC000866243045 589482405 /nfs/dbraw/zinc/48/24/05/589482405.db2.gz VQOKFMDLDRUXSU-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP CCc1ccccc1C[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866723639 589516014 /nfs/dbraw/zinc/51/60/14/589516014.db2.gz IIYXSZZUMJVBGJ-HOTGVXAUSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccccc1C[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866723639 589516015 /nfs/dbraw/zinc/51/60/15/589516015.db2.gz IIYXSZZUMJVBGJ-HOTGVXAUSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000866726437 589516361 /nfs/dbraw/zinc/51/63/61/589516361.db2.gz WRNSJIQMJXSVAU-HZPDHXFCSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000866726437 589516362 /nfs/dbraw/zinc/51/63/62/589516362.db2.gz WRNSJIQMJXSVAU-HZPDHXFCSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000123278956 589685244 /nfs/dbraw/zinc/68/52/44/589685244.db2.gz RGWRSBYVHWIJCE-GFCCVEGCSA-N 2 2 244.338 2.535 20 0 BFADLP Cc1oc2ccccc2c1C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000123278956 589685245 /nfs/dbraw/zinc/68/52/45/589685245.db2.gz RGWRSBYVHWIJCE-GFCCVEGCSA-N 2 2 244.338 2.535 20 0 BFADLP Cc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)cc1F ZINC000873229558 590001428 /nfs/dbraw/zinc/00/14/28/590001428.db2.gz BXTXHBRFHBPLSL-CABCVRRESA-N 2 2 248.345 2.508 20 0 BFADLP Cc1cccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)c1C ZINC000873230049 590002006 /nfs/dbraw/zinc/00/20/06/590002006.db2.gz LIEDFWAVAWJANM-JKSUJKDBSA-N 2 2 244.382 2.678 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccncc1 ZINC000873238270 590005488 /nfs/dbraw/zinc/00/54/88/590005488.db2.gz YVEJZAHYBYAVNZ-TZMCWYRMSA-N 2 2 247.386 2.510 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000020094197 590073091 /nfs/dbraw/zinc/07/30/91/590073091.db2.gz PZBHCDZVIBMFLW-HIFRSBDPSA-N 2 2 234.387 2.925 20 0 BFADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C2)CC1 ZINC000877019943 590269822 /nfs/dbraw/zinc/26/98/22/590269822.db2.gz UZSRKAYHLAMKCD-RBSFLKMASA-N 2 2 236.403 2.805 20 0 BFADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C2)CC1 ZINC000877019943 590269823 /nfs/dbraw/zinc/26/98/23/590269823.db2.gz UZSRKAYHLAMKCD-RBSFLKMASA-N 2 2 236.403 2.805 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000878036975 590476952 /nfs/dbraw/zinc/47/69/52/590476952.db2.gz UIIQDUOPYXLIRU-ABCZVMIZSA-N 2 2 234.387 2.679 20 0 BFADLP C=C/C=C\CC[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000878036975 590476953 /nfs/dbraw/zinc/47/69/53/590476953.db2.gz UIIQDUOPYXLIRU-ABCZVMIZSA-N 2 2 234.387 2.679 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000878036977 590477434 /nfs/dbraw/zinc/47/74/34/590477434.db2.gz UIIQDUOPYXLIRU-BWPKMQGJSA-N 2 2 234.387 2.679 20 0 BFADLP C=C/C=C/CC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000878036977 590477438 /nfs/dbraw/zinc/47/74/38/590477438.db2.gz UIIQDUOPYXLIRU-BWPKMQGJSA-N 2 2 234.387 2.679 20 0 BFADLP C=C/C=C\CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000878172883 590515008 /nfs/dbraw/zinc/51/50/08/590515008.db2.gz NRALRWURSGXJCK-ARJAWSKDSA-N 2 2 231.343 2.652 20 0 BFADLP C[C@H]1CC[N@H+](CCCC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000878284921 590533261 /nfs/dbraw/zinc/53/32/61/590533261.db2.gz WWWNLMHLLOPHAA-ZFWWWQNUSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@H]1CC[N@@H+](CCCC2CC2)C[C@@H]1n1cc[nH+]c1 ZINC000878284921 590533263 /nfs/dbraw/zinc/53/32/63/590533263.db2.gz WWWNLMHLLOPHAA-ZFWWWQNUSA-N 2 2 247.386 2.956 20 0 BFADLP C=C/C=C\CC[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000878519519 590585383 /nfs/dbraw/zinc/58/53/83/590585383.db2.gz OTUUQXWBYOPWPS-WSNITJDQSA-N 2 2 245.370 2.732 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000878519519 590585384 /nfs/dbraw/zinc/58/53/84/590585384.db2.gz OTUUQXWBYOPWPS-WSNITJDQSA-N 2 2 245.370 2.732 20 0 BFADLP C[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CC[N@@H+]1C ZINC000127812631 590789930 /nfs/dbraw/zinc/78/99/30/590789930.db2.gz WSJUHDGIMRSYFA-OCCSQVGLSA-N 2 2 247.386 2.647 20 0 BFADLP C[C@@H]1C[C@@H](Nc2ccc([NH+](C)C)cc2)CC[N@H+]1C ZINC000127812631 590789932 /nfs/dbraw/zinc/78/99/32/590789932.db2.gz WSJUHDGIMRSYFA-OCCSQVGLSA-N 2 2 247.386 2.647 20 0 BFADLP C[C@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CC[N@@H+]1C ZINC000127812381 590790185 /nfs/dbraw/zinc/79/01/85/590790185.db2.gz WSJUHDGIMRSYFA-GXTWGEPZSA-N 2 2 247.386 2.647 20 0 BFADLP C[C@H]1C[C@H](Nc2ccc([NH+](C)C)cc2)CC[N@H+]1C ZINC000127812381 590790189 /nfs/dbraw/zinc/79/01/89/590790189.db2.gz WSJUHDGIMRSYFA-GXTWGEPZSA-N 2 2 247.386 2.647 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC000880130358 590932491 /nfs/dbraw/zinc/93/24/91/590932491.db2.gz CXOWVJTVHLAGQC-STQMWFEESA-N 2 2 224.392 2.591 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC000880130358 590932494 /nfs/dbraw/zinc/93/24/94/590932494.db2.gz CXOWVJTVHLAGQC-STQMWFEESA-N 2 2 224.392 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC000880130358 590932496 /nfs/dbraw/zinc/93/24/96/590932496.db2.gz CXOWVJTVHLAGQC-STQMWFEESA-N 2 2 224.392 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC000880130358 590932499 /nfs/dbraw/zinc/93/24/99/590932499.db2.gz CXOWVJTVHLAGQC-STQMWFEESA-N 2 2 224.392 2.591 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC000880130356 590932709 /nfs/dbraw/zinc/93/27/09/590932709.db2.gz CXOWVJTVHLAGQC-OLZOCXBDSA-N 2 2 224.392 2.591 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CCC(C)(C)C ZINC000880130356 590932711 /nfs/dbraw/zinc/93/27/11/590932711.db2.gz CXOWVJTVHLAGQC-OLZOCXBDSA-N 2 2 224.392 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC000880130356 590932714 /nfs/dbraw/zinc/93/27/14/590932714.db2.gz CXOWVJTVHLAGQC-OLZOCXBDSA-N 2 2 224.392 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CCC(C)(C)C ZINC000880130356 590932717 /nfs/dbraw/zinc/93/27/17/590932717.db2.gz CXOWVJTVHLAGQC-OLZOCXBDSA-N 2 2 224.392 2.591 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC000880134182 590937061 /nfs/dbraw/zinc/93/70/61/590937061.db2.gz RUIHJRHQTRQLDQ-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC000880134182 590937064 /nfs/dbraw/zinc/93/70/64/590937064.db2.gz RUIHJRHQTRQLDQ-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC000880134182 590937066 /nfs/dbraw/zinc/93/70/66/590937066.db2.gz RUIHJRHQTRQLDQ-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2[C@@H]1CC[N@H+]2CCC1CCCC1 ZINC000880134182 590937068 /nfs/dbraw/zinc/93/70/68/590937068.db2.gz RUIHJRHQTRQLDQ-GJZGRUSLSA-N 2 2 236.403 2.735 20 0 BFADLP CC(C)=CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880141971 590937574 /nfs/dbraw/zinc/93/75/74/590937574.db2.gz LGSHHANNVUMXQZ-ZIAGYGMSSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880141971 590937576 /nfs/dbraw/zinc/93/75/76/590937576.db2.gz LGSHHANNVUMXQZ-ZIAGYGMSSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880141971 590937577 /nfs/dbraw/zinc/93/75/77/590937577.db2.gz LGSHHANNVUMXQZ-ZIAGYGMSSA-N 2 2 222.376 2.511 20 0 BFADLP CC(C)=CCC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880141971 590937580 /nfs/dbraw/zinc/93/75/80/590937580.db2.gz LGSHHANNVUMXQZ-ZIAGYGMSSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136496 590937979 /nfs/dbraw/zinc/93/79/79/590937979.db2.gz MSEDNMSYIRMLIP-UUSXEQNQSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C\CC[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880136496 590937981 /nfs/dbraw/zinc/93/79/81/590937981.db2.gz MSEDNMSYIRMLIP-UUSXEQNQSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C\CC[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880136496 590937983 /nfs/dbraw/zinc/93/79/83/590937983.db2.gz MSEDNMSYIRMLIP-UUSXEQNQSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C\CC[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880136496 590937986 /nfs/dbraw/zinc/93/79/86/590937986.db2.gz MSEDNMSYIRMLIP-UUSXEQNQSA-N 2 2 222.376 2.511 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC000880143075 590944528 /nfs/dbraw/zinc/94/45/28/590944528.db2.gz XRULWPMXERNRLE-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC000880143075 590944529 /nfs/dbraw/zinc/94/45/29/590944529.db2.gz XRULWPMXERNRLE-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCC1 ZINC000880143075 590944532 /nfs/dbraw/zinc/94/45/32/590944532.db2.gz XRULWPMXERNRLE-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CCCC1CCC1 ZINC000880143075 590944533 /nfs/dbraw/zinc/94/45/33/590944533.db2.gz XRULWPMXERNRLE-HUUCEWRRSA-N 2 2 236.403 2.735 20 0 BFADLP CC(C)C[NH2+][C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC000880571873 591098535 /nfs/dbraw/zinc/09/85/35/591098535.db2.gz UVLASPQRMIDJBF-HNNXBMFYSA-N 2 2 243.354 2.870 20 0 BFADLP C[C@@H](C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1)Cn1cc[nH+]c1 ZINC000882934315 591476776 /nfs/dbraw/zinc/47/67/76/591476776.db2.gz FEDJBWYKGUQRIZ-BYNSBNAKSA-N 2 2 247.386 2.688 20 0 BFADLP CCCCCC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000132002036 591684069 /nfs/dbraw/zinc/68/40/69/591684069.db2.gz CARCMOFONRUMFR-OLZOCXBDSA-N 2 2 224.392 2.782 20 0 BFADLP CCCCCC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000132002036 591684074 /nfs/dbraw/zinc/68/40/74/591684074.db2.gz CARCMOFONRUMFR-OLZOCXBDSA-N 2 2 224.392 2.782 20 0 BFADLP Cc1ccc(N[C@H]2C[C@@H]([NH3+])c3ccccc32)c[nH+]1 ZINC000132204146 591693088 /nfs/dbraw/zinc/69/30/88/591693088.db2.gz TWXKBIOTLAOKJM-CABCVRRESA-N 2 2 239.322 2.947 20 0 BFADLP Cc1coc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000885927508 592108951 /nfs/dbraw/zinc/10/89/51/592108951.db2.gz RZXBDDYZSCMICC-UHFFFAOYSA-N 2 2 248.370 2.552 20 0 BFADLP Cc1coc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000886102747 592155232 /nfs/dbraw/zinc/15/52/32/592155232.db2.gz OZPFHWNBQVGERE-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP CCC1([NH+]2CCC2)CC[NH+](C/C=C\Cl)CC1 ZINC000886707913 592307905 /nfs/dbraw/zinc/30/79/05/592307905.db2.gz WJJVYKOKQDNCQQ-CLTKARDFSA-N 2 2 242.794 2.689 20 0 BFADLP CCCC[N@H+](CC[NH3+])[C@H](C)c1ccc(C)o1 ZINC000886882456 592382230 /nfs/dbraw/zinc/38/22/30/592382230.db2.gz SGRQXHBQTCNYTF-GFCCVEGCSA-N 2 2 224.348 2.710 20 0 BFADLP CCCC[N@@H+](CC[NH3+])[C@H](C)c1ccc(C)o1 ZINC000886882456 592382235 /nfs/dbraw/zinc/38/22/35/592382235.db2.gz SGRQXHBQTCNYTF-GFCCVEGCSA-N 2 2 224.348 2.710 20 0 BFADLP CCCC[N@H+](CC[NH3+])[C@@H](C)c1ccc(C)o1 ZINC000886882457 592382394 /nfs/dbraw/zinc/38/23/94/592382394.db2.gz SGRQXHBQTCNYTF-LBPRGKRZSA-N 2 2 224.348 2.710 20 0 BFADLP CCCC[N@@H+](CC[NH3+])[C@@H](C)c1ccc(C)o1 ZINC000886882457 592382397 /nfs/dbraw/zinc/38/23/97/592382397.db2.gz SGRQXHBQTCNYTF-LBPRGKRZSA-N 2 2 224.348 2.710 20 0 BFADLP C[C@H]([NH3+])[C@@H]([NH2+]CC1=CCCC1)c1ccccc1 ZINC000925704182 634383755 /nfs/dbraw/zinc/38/37/55/634383755.db2.gz BVZHUFSXOZJFTG-SWLSCSKDSA-N 2 2 230.355 2.775 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925929417 635642130 /nfs/dbraw/zinc/64/21/30/635642130.db2.gz MXQZMWSVYATMMI-TZMCWYRMSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925929417 635642136 /nfs/dbraw/zinc/64/21/36/635642136.db2.gz MXQZMWSVYATMMI-TZMCWYRMSA-N 2 2 236.403 2.639 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2CCC[C@@H]2C)CC1 ZINC000309818077 632673837 /nfs/dbraw/zinc/67/38/37/632673837.db2.gz VRORWHAOLTYAKQ-UONOGXRCSA-N 2 2 222.376 2.559 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000309818077 632673841 /nfs/dbraw/zinc/67/38/41/632673841.db2.gz VRORWHAOLTYAKQ-UONOGXRCSA-N 2 2 222.376 2.559 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+](C)C[C@H](C)[NH3+] ZINC000310279035 632713950 /nfs/dbraw/zinc/71/39/50/632713950.db2.gz KLBLSQPRTDZMPF-JTQLQIEISA-N 2 2 232.327 2.520 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+](C)C[C@H](C)[NH3+] ZINC000310279035 632713953 /nfs/dbraw/zinc/71/39/53/632713953.db2.gz KLBLSQPRTDZMPF-JTQLQIEISA-N 2 2 232.327 2.520 20 0 BFADLP CC[N@@H+](Cc1cccs1)C[C@@H]([NH3+])CC(F)F ZINC000309403334 633017467 /nfs/dbraw/zinc/01/74/67/633017467.db2.gz HPTQRSGLHJNGIR-VIFPVBQESA-N 2 2 248.342 2.553 20 0 BFADLP CC[N@H+](Cc1cccs1)C[C@@H]([NH3+])CC(F)F ZINC000309403334 633017476 /nfs/dbraw/zinc/01/74/76/633017476.db2.gz HPTQRSGLHJNGIR-VIFPVBQESA-N 2 2 248.342 2.553 20 0 BFADLP [NH3+][C@H](C[NH2+]C1CCCCC1)c1ccccc1 ZINC000040397725 633750389 /nfs/dbraw/zinc/75/03/89/633750389.db2.gz WOLJCEZDYCOBCB-CQSZACIVSA-N 2 2 218.344 2.609 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000309810378 633765240 /nfs/dbraw/zinc/76/52/40/633765240.db2.gz YUUYCAZFQYFGJY-RQJABVFESA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000309810378 633765249 /nfs/dbraw/zinc/76/52/49/633765249.db2.gz YUUYCAZFQYFGJY-RQJABVFESA-N 2 2 224.392 2.637 20 0 BFADLP Cc1cc[nH+]c(N)c1CNc1c[nH+]c(C)c(C)c1 ZINC000895644490 636170876 /nfs/dbraw/zinc/17/08/76/636170876.db2.gz BOVOXJRHTNNMBG-UHFFFAOYSA-N 2 2 242.326 2.596 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000053343193 634169389 /nfs/dbraw/zinc/16/93/89/634169389.db2.gz WMYQBPSNSGMWEW-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000053343193 634169394 /nfs/dbraw/zinc/16/93/94/634169394.db2.gz WMYQBPSNSGMWEW-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]CC1CCCCC1 ZINC000053343177 634169364 /nfs/dbraw/zinc/16/93/64/634169364.db2.gz PISMAORNNIBQKM-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]CC1CCCCC1 ZINC000053343177 634169368 /nfs/dbraw/zinc/16/93/68/634169368.db2.gz PISMAORNNIBQKM-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000053343239 634170883 /nfs/dbraw/zinc/17/08/83/634170883.db2.gz IULAUSMJPUWVAN-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[C@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000053343239 634170887 /nfs/dbraw/zinc/17/08/87/634170887.db2.gz IULAUSMJPUWVAN-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CCCCC[C@@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000053344191 634171230 /nfs/dbraw/zinc/17/12/30/634171230.db2.gz PESCZTPBWPUDCK-CYBMUJFWSA-N 2 2 214.397 2.885 20 0 BFADLP CCCCC[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000053344191 634171237 /nfs/dbraw/zinc/17/12/37/634171237.db2.gz PESCZTPBWPUDCK-CYBMUJFWSA-N 2 2 214.397 2.885 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccc(C)c1 ZINC000925783639 635293194 /nfs/dbraw/zinc/29/31/94/635293194.db2.gz KNYSIRNBGSGTJI-BPLDGKMQSA-N 2 2 232.371 2.644 20 0 BFADLP CC(C)[NH+]1CCC([N@H+](C)C/C=C/Cl)CC1 ZINC000726070920 635740456 /nfs/dbraw/zinc/74/04/56/635740456.db2.gz CFWCFRKJFMNKHW-QPJJXVBHSA-N 2 2 230.783 2.544 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+](C)C/C=C/Cl)CC1 ZINC000726070920 635740458 /nfs/dbraw/zinc/74/04/58/635740458.db2.gz CFWCFRKJFMNKHW-QPJJXVBHSA-N 2 2 230.783 2.544 20 0 BFADLP CC(C)c1ccc([C@H](C)[N@H+](C)CC[NH3+])cc1 ZINC000054417023 636636774 /nfs/dbraw/zinc/63/67/74/636636774.db2.gz XGRSCCIXWIOJPS-LBPRGKRZSA-N 2 2 220.360 2.762 20 0 BFADLP CC(C)c1ccc([C@H](C)[N@@H+](C)CC[NH3+])cc1 ZINC000054417023 636636777 /nfs/dbraw/zinc/63/67/77/636636777.db2.gz XGRSCCIXWIOJPS-LBPRGKRZSA-N 2 2 220.360 2.762 20 0 BFADLP CCCCCC[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041042038 636957069 /nfs/dbraw/zinc/95/70/69/636957069.db2.gz GQMSOCBJHUNQOC-CYBMUJFWSA-N 2 2 223.364 2.832 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CC2(C1)CCCC2 ZINC000924648859 636973065 /nfs/dbraw/zinc/97/30/65/636973065.db2.gz MEEQSRFEKXKMHK-GFCCVEGCSA-N 2 2 233.359 2.584 20 0 BFADLP C[N@H+](Cc1cccc(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000042437202 637245385 /nfs/dbraw/zinc/24/53/85/637245385.db2.gz FCQNCMTUJJHEID-CYBMUJFWSA-N 2 2 238.762 2.509 20 0 BFADLP C[N@@H+](Cc1cccc(Cl)c1)[C@H](C[NH3+])C1CC1 ZINC000042437202 637245394 /nfs/dbraw/zinc/24/53/94/637245394.db2.gz FCQNCMTUJJHEID-CYBMUJFWSA-N 2 2 238.762 2.509 20 0 BFADLP [NH3+]C1CC([NH2+]Cc2cc(Cl)ccc2Cl)C1 ZINC000906509577 638181320 /nfs/dbraw/zinc/18/13/20/638181320.db2.gz KCWZDXFMRWCNJL-UHFFFAOYSA-N 2 2 245.153 2.573 20 0 BFADLP CCCC[NH2+]CCCCNc1cccc[nH+]1 ZINC000906526751 638191200 /nfs/dbraw/zinc/19/12/00/638191200.db2.gz LDSGHYLPAIGQPT-UHFFFAOYSA-N 2 2 221.348 2.663 20 0 BFADLP C[C@@H](c1cccnc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350678 640167380 /nfs/dbraw/zinc/16/73/80/640167380.db2.gz SYCMGJGFPXROHD-ZDUSSCGKSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1cccnc1)[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350677 640167922 /nfs/dbraw/zinc/16/79/22/640167922.db2.gz SYCMGJGFPXROHD-CYBMUJFWSA-N 2 2 247.386 2.559 20 0 BFADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC(C)(F)F ZINC000931720269 640341517 /nfs/dbraw/zinc/34/15/17/640341517.db2.gz WBAHZRAOHFZZAG-NWDGAFQWSA-N 2 2 246.345 2.590 20 0 BFADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CCCC(C)(F)F ZINC000931720269 640341522 /nfs/dbraw/zinc/34/15/22/640341522.db2.gz WBAHZRAOHFZZAG-NWDGAFQWSA-N 2 2 246.345 2.590 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCC(C)(F)F ZINC000931720269 640341526 /nfs/dbraw/zinc/34/15/26/640341526.db2.gz WBAHZRAOHFZZAG-NWDGAFQWSA-N 2 2 246.345 2.590 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CCCC(C)(F)F ZINC000931720269 640341527 /nfs/dbraw/zinc/34/15/27/640341527.db2.gz WBAHZRAOHFZZAG-NWDGAFQWSA-N 2 2 246.345 2.590 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)C1 ZINC000929814277 641656246 /nfs/dbraw/zinc/65/62/46/641656246.db2.gz NKFAAIWTZICBHL-CVSAEHQPSA-N 2 2 236.403 2.591 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)C1 ZINC000929814277 641656250 /nfs/dbraw/zinc/65/62/50/641656250.db2.gz NKFAAIWTZICBHL-CVSAEHQPSA-N 2 2 236.403 2.591 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)C1 ZINC000929814277 641656252 /nfs/dbraw/zinc/65/62/52/641656252.db2.gz NKFAAIWTZICBHL-CVSAEHQPSA-N 2 2 236.403 2.591 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)C1 ZINC000929814277 641656254 /nfs/dbraw/zinc/65/62/54/641656254.db2.gz NKFAAIWTZICBHL-CVSAEHQPSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CCCC(C)(F)F ZINC000930124001 642463243 /nfs/dbraw/zinc/46/32/43/642463243.db2.gz DUKWGIZGCISUPM-UHFFFAOYSA-N 2 2 245.317 2.640 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CCCC(C)(F)F ZINC000930124001 642463248 /nfs/dbraw/zinc/46/32/48/642463248.db2.gz DUKWGIZGCISUPM-UHFFFAOYSA-N 2 2 245.317 2.640 20 0 BFADLP CCc1cccc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000420402569 642723683 /nfs/dbraw/zinc/72/36/83/642723683.db2.gz MDBXUCUZSSFLTD-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1cccc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000420402569 642723687 /nfs/dbraw/zinc/72/36/87/642723687.db2.gz MDBXUCUZSSFLTD-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[C@H]1C)[NH+]1CCCCC1 ZINC000083390696 643445530 /nfs/dbraw/zinc/44/55/30/643445530.db2.gz HIWDGGUTKFIODQ-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000234148657 643533302 /nfs/dbraw/zinc/53/33/02/643533302.db2.gz LUROBZJUKPRLRZ-DOMZBBRYSA-N 2 2 232.371 2.652 20 0 BFADLP CS[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000921653729 643704790 /nfs/dbraw/zinc/70/47/90/643704790.db2.gz XFYQDQLSRBNAIX-OLZOCXBDSA-N 2 2 244.448 2.590 20 0 BFADLP CS[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000921653729 643704791 /nfs/dbraw/zinc/70/47/91/643704791.db2.gz XFYQDQLSRBNAIX-OLZOCXBDSA-N 2 2 244.448 2.590 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C ZINC000250336999 643778914 /nfs/dbraw/zinc/77/89/14/643778914.db2.gz PGPCSTWVZWZBID-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC[C@H]1C ZINC000250336999 643778920 /nfs/dbraw/zinc/77/89/20/643778920.db2.gz PGPCSTWVZWZBID-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090168093 644583147 /nfs/dbraw/zinc/58/31/47/644583147.db2.gz VWSTYUKSDLDOCO-AWEZNQCLSA-N 2 2 232.371 2.649 20 0 BFADLP CC[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090168093 644583150 /nfs/dbraw/zinc/58/31/50/644583150.db2.gz VWSTYUKSDLDOCO-AWEZNQCLSA-N 2 2 232.371 2.649 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC(C)C ZINC000250344679 644754193 /nfs/dbraw/zinc/75/41/93/644754193.db2.gz QGCQODHMIHPHPZ-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)CCC(C)C ZINC000250344679 644754200 /nfs/dbraw/zinc/75/42/00/644754200.db2.gz QGCQODHMIHPHPZ-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1C ZINC000415140084 644885271 /nfs/dbraw/zinc/88/52/71/644885271.db2.gz SIPUBSQMLXGQBV-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)c1C ZINC000415140084 644885274 /nfs/dbraw/zinc/88/52/74/644885274.db2.gz SIPUBSQMLXGQBV-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP CC(C)(F)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926703707 645369665 /nfs/dbraw/zinc/36/96/65/645369665.db2.gz VRBLZXSHSAVRAY-QWHCGFSZSA-N 2 2 242.382 2.731 20 0 BFADLP CC(C)(F)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926703707 645369668 /nfs/dbraw/zinc/36/96/68/645369668.db2.gz VRBLZXSHSAVRAY-QWHCGFSZSA-N 2 2 242.382 2.731 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000926717095 645381390 /nfs/dbraw/zinc/38/13/90/645381390.db2.gz ZHJGHXUQHKQLEM-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000926717095 645381392 /nfs/dbraw/zinc/38/13/92/645381392.db2.gz ZHJGHXUQHKQLEM-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP C1=CCC(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926949568 645496522 /nfs/dbraw/zinc/49/65/22/645496522.db2.gz KHJZJHOGHPMKOY-CVEARBPZSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CCC(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926949568 645496526 /nfs/dbraw/zinc/49/65/26/645496526.db2.gz KHJZJHOGHPMKOY-CVEARBPZSA-N 2 2 248.414 2.949 20 0 BFADLP CC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000925498959 646303086 /nfs/dbraw/zinc/30/30/86/646303086.db2.gz ULJLSIAGFCEQGZ-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CCC1 ZINC000925498959 646303092 /nfs/dbraw/zinc/30/30/92/646303092.db2.gz ULJLSIAGFCEQGZ-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CCC1 ZINC000925498958 646304417 /nfs/dbraw/zinc/30/44/17/646304417.db2.gz ULJLSIAGFCEQGZ-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CCC1 ZINC000925498958 646304419 /nfs/dbraw/zinc/30/44/19/646304419.db2.gz ULJLSIAGFCEQGZ-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1scc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1C ZINC000925723639 646447835 /nfs/dbraw/zinc/44/78/35/646447835.db2.gz CAKRYGWCYBUMKQ-LBPRGKRZSA-N 2 2 238.400 2.595 20 0 BFADLP Cc1cc(N[C@@H](C)[C@@H]2CCCC[NH2+]2)c[nH+]c1C ZINC000925770994 646471301 /nfs/dbraw/zinc/47/13/01/646471301.db2.gz YOFKOEGOJWDTOO-JSGCOSHPSA-N 2 2 233.359 2.641 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000925781343 646477215 /nfs/dbraw/zinc/47/72/15/646477215.db2.gz DHEPRWPPYAOSDX-BPLDGKMQSA-N 2 2 232.371 2.581 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1ccc(C)cc1 ZINC000925787476 646483243 /nfs/dbraw/zinc/48/32/43/646483243.db2.gz UCCFQPUMGRIRFG-BPLDGKMQSA-N 2 2 232.371 2.644 20 0 BFADLP CC(C)(C)[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000926450517 646641531 /nfs/dbraw/zinc/64/15/31/646641531.db2.gz OACBBWCBNWIRGA-SMDDNHRTSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@H](C)C(C)C ZINC000037167040 712549488 /nfs/dbraw/zinc/54/94/88/712549488.db2.gz HNQPXCUTEFLOTG-CHWSQXEVSA-N 2 2 214.397 2.597 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C(C)C ZINC000038029030 712799941 /nfs/dbraw/zinc/79/99/41/712799941.db2.gz WVLQXVKJRKTEGY-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000381297954 710618195 /nfs/dbraw/zinc/61/81/95/710618195.db2.gz ASLPTBOVOTUPLG-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000381297954 710618197 /nfs/dbraw/zinc/61/81/97/710618197.db2.gz ASLPTBOVOTUPLG-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384494405 710993940 /nfs/dbraw/zinc/99/39/40/710993940.db2.gz ABMYPGWFAMWIOM-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384494405 710993944 /nfs/dbraw/zinc/99/39/44/710993944.db2.gz ABMYPGWFAMWIOM-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP [NH3+]CCCCCCC[N@H+](CC(F)F)C1CC1 ZINC000386613957 711033725 /nfs/dbraw/zinc/03/37/25/711033725.db2.gz ZTJLKQFZNAMWFS-UHFFFAOYSA-N 2 2 234.334 2.625 20 0 BFADLP [NH3+]CCCCCCC[N@@H+](CC(F)F)C1CC1 ZINC000386613957 711033729 /nfs/dbraw/zinc/03/37/29/711033729.db2.gz ZTJLKQFZNAMWFS-UHFFFAOYSA-N 2 2 234.334 2.625 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]CCC(C)(C)SC)C1 ZINC000389236054 711073033 /nfs/dbraw/zinc/07/30/33/711073033.db2.gz JSVKOOXKMOCFPG-LBPRGKRZSA-N 2 2 244.448 2.592 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)SC)C1 ZINC000389236054 711073044 /nfs/dbraw/zinc/07/30/44/711073044.db2.gz JSVKOOXKMOCFPG-LBPRGKRZSA-N 2 2 244.448 2.592 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCC(C)(C)SC)C1 ZINC000389236053 711073224 /nfs/dbraw/zinc/07/32/24/711073224.db2.gz JSVKOOXKMOCFPG-GFCCVEGCSA-N 2 2 244.448 2.592 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)SC)C1 ZINC000389236053 711073227 /nfs/dbraw/zinc/07/32/27/711073227.db2.gz JSVKOOXKMOCFPG-GFCCVEGCSA-N 2 2 244.448 2.592 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(C)C)[NH+]1CCCCC1 ZINC000397809456 711392810 /nfs/dbraw/zinc/39/28/10/711392810.db2.gz HYEBELLRGNATDV-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CSC(C)(C)CC[NH2+]C1(C[NH+](C)C)CCC1 ZINC000393505004 711550424 /nfs/dbraw/zinc/55/04/24/711550424.db2.gz BAVIUJWPACXOBF-UHFFFAOYSA-N 2 2 244.448 2.592 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(C)[nH+]1 ZINC000724780926 711614293 /nfs/dbraw/zinc/61/42/93/711614293.db2.gz SPBPYDHRHXOGFO-GXTWGEPZSA-N 2 2 233.359 2.791 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCC[C@@H]3CCC[C@H]32)c(C)[nH+]1 ZINC000724780926 711614295 /nfs/dbraw/zinc/61/42/95/711614295.db2.gz SPBPYDHRHXOGFO-GXTWGEPZSA-N 2 2 233.359 2.791 20 0 BFADLP Cc1[nH]c(C[NH2+][C@H](C)C2CCCC2)c(C)[nH+]1 ZINC000724790965 711614938 /nfs/dbraw/zinc/61/49/38/711614938.db2.gz OXBJTIBAAKVJGO-SECBINFHSA-N 2 2 221.348 2.695 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]([NH3+])CC(F)F ZINC000394873048 711690781 /nfs/dbraw/zinc/69/07/81/711690781.db2.gz DYCQMXMWESHMHJ-CMPLNLGQSA-N 2 2 242.313 2.662 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+](C)C[C@H]([NH3+])CC(F)F ZINC000394873048 711690782 /nfs/dbraw/zinc/69/07/82/711690782.db2.gz DYCQMXMWESHMHJ-CMPLNLGQSA-N 2 2 242.313 2.662 20 0 BFADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000334979880 711719662 /nfs/dbraw/zinc/71/96/62/711719662.db2.gz JYJFXHJVQAMMCI-GOEBONIOSA-N 2 2 244.382 2.884 20 0 BFADLP Cc1cccc([C@H](C)[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000334979880 711719664 /nfs/dbraw/zinc/71/96/64/711719664.db2.gz JYJFXHJVQAMMCI-GOEBONIOSA-N 2 2 244.382 2.884 20 0 BFADLP CCC1CCC([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000054110732 711775196 /nfs/dbraw/zinc/77/51/96/711775196.db2.gz BQYDGFVREMEBLC-UHFFFAOYSA-N 2 2 226.408 2.885 20 0 BFADLP CCC1CCC([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000054110732 711775197 /nfs/dbraw/zinc/77/51/97/711775197.db2.gz BQYDGFVREMEBLC-UHFFFAOYSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720766689 712864888 /nfs/dbraw/zinc/86/48/88/712864888.db2.gz GVPNXGJMAJYSJE-ZIAGYGMSSA-N 2 2 232.371 2.807 20 0 BFADLP CC[C@H](c1ccccc1)[N@H+]1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720766689 712864890 /nfs/dbraw/zinc/86/48/90/712864890.db2.gz GVPNXGJMAJYSJE-ZIAGYGMSSA-N 2 2 232.371 2.807 20 0 BFADLP CC1(C)C[N@H+](Cc2cccc(C3CC3)c2)C[C@@H]1[NH3+] ZINC000720823176 712867811 /nfs/dbraw/zinc/86/78/11/712867811.db2.gz AOGPSIYVCMTSLN-HNNXBMFYSA-N 2 2 244.382 2.733 20 0 BFADLP CC1(C)C[N@@H+](Cc2cccc(C3CC3)c2)C[C@@H]1[NH3+] ZINC000720823176 712867812 /nfs/dbraw/zinc/86/78/12/712867812.db2.gz AOGPSIYVCMTSLN-HNNXBMFYSA-N 2 2 244.382 2.733 20 0 BFADLP CC1(C)C[N@H+](Cc2ccc(C3CC3)cc2)C[C@H]1[NH3+] ZINC000720825536 712868414 /nfs/dbraw/zinc/86/84/14/712868414.db2.gz KDOJHLXEMXYYGO-OAHLLOKOSA-N 2 2 244.382 2.733 20 0 BFADLP CC1(C)C[N@@H+](Cc2ccc(C3CC3)cc2)C[C@H]1[NH3+] ZINC000720825536 712868415 /nfs/dbraw/zinc/86/84/15/712868415.db2.gz KDOJHLXEMXYYGO-OAHLLOKOSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)[N@H+](CCC1CC1)C1CC[NH+](C)CC1 ZINC001208687929 957129256 /nfs/dbraw/zinc/12/92/56/957129256.db2.gz YCDXMKATLUNJOJ-UHFFFAOYSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[N@@H+](CCC1CC1)C1CC[NH+](C)CC1 ZINC001208687929 957129270 /nfs/dbraw/zinc/12/92/70/957129270.db2.gz YCDXMKATLUNJOJ-UHFFFAOYSA-N 2 2 224.392 2.591 20 0 BFADLP CC[NH+](CC)C1CC[NH+](CC=C(C)C)CC1 ZINC000052050171 969652051 /nfs/dbraw/zinc/65/20/51/969652051.db2.gz YHAIIZFYFIGTAG-UHFFFAOYSA-N 2 2 224.392 2.759 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC001255957172 970589737 /nfs/dbraw/zinc/58/97/37/970589737.db2.gz PALBWROJPHOVAX-KGLIPLIRSA-N 2 2 244.398 2.931 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC001255957172 970589747 /nfs/dbraw/zinc/58/97/47/970589747.db2.gz PALBWROJPHOVAX-KGLIPLIRSA-N 2 2 244.398 2.931 20 0 BFADLP CCCC[NH+](CCCC)C1CC[NH+](C)CC1 ZINC001256207370 970712572 /nfs/dbraw/zinc/71/25/72/970712572.db2.gz GAVJKKIWVWGIMG-UHFFFAOYSA-N 2 2 226.408 2.983 20 0 BFADLP Cc1cc(C[NH2+][C@H]2[C@@H](C)[NH2+]CC[C@@H]2C)cs1 ZINC001333594953 975875626 /nfs/dbraw/zinc/87/56/26/975875626.db2.gz DGJCWGUYYUMIRG-UFGOTCBOSA-N 2 2 238.400 2.533 20 0 BFADLP CC(C)=CCC[C@H](C)CC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235148560 978981933 /nfs/dbraw/zinc/98/19/33/978981933.db2.gz XWMAGQVEXALKGX-KKUMJFAQSA-N 2 2 236.403 2.792 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](CC[C@H](C)CC(C)(C)C)C1 ZINC001235828252 979163925 /nfs/dbraw/zinc/16/39/25/979163925.db2.gz AUYQDCLGJVPFAC-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](CC[C@H](C)CC(C)(C)C)C1 ZINC001235828252 979163930 /nfs/dbraw/zinc/16/39/30/979163930.db2.gz AUYQDCLGJVPFAC-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@H](C)CC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC001183573549 979851432 /nfs/dbraw/zinc/85/14/32/979851432.db2.gz VMTXAXOWWQVLFK-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1csc(C[N@@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205815815 982624482 /nfs/dbraw/zinc/62/44/82/982624482.db2.gz IAGLKWHTQXGAST-ZYHUDNBSSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1csc(C[N@H+]2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205815815 982624488 /nfs/dbraw/zinc/62/44/88/982624488.db2.gz IAGLKWHTQXGAST-ZYHUDNBSSA-N 2 2 238.400 2.616 20 0 BFADLP CC/C=C/[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC001256582451 970871940 /nfs/dbraw/zinc/87/19/40/970871940.db2.gz CRHKSMBHPKAAIZ-FPYGCLRLSA-N 2 2 245.370 2.559 20 0 BFADLP CCC[C@H](CC)[N@H+](CC)CCn1cc[nH+]c1 ZINC001257271886 971173255 /nfs/dbraw/zinc/17/32/55/971173255.db2.gz URRQOCWFABRRBZ-ZDUSSCGKSA-N 2 2 223.364 2.784 20 0 BFADLP CCC[C@H](CC)[N@@H+](CC)CCn1cc[nH+]c1 ZINC001257271886 971173264 /nfs/dbraw/zinc/17/32/64/971173264.db2.gz URRQOCWFABRRBZ-ZDUSSCGKSA-N 2 2 223.364 2.784 20 0 BFADLP CCC(CC)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001257288703 971175354 /nfs/dbraw/zinc/17/53/54/971175354.db2.gz DETQQHNZMLIVJS-UHFFFAOYSA-N 2 2 241.404 2.745 20 0 BFADLP CCC[C@@H](C)n1c[nH+]c(C)c1CSCC[NH3+] ZINC001257308317 971199382 /nfs/dbraw/zinc/19/93/82/971199382.db2.gz MUXWRQKHDZZRSG-SNVBAGLBSA-N 2 2 241.404 2.745 20 0 BFADLP CCCC(CCC)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257338457 971249263 /nfs/dbraw/zinc/24/92/63/971249263.db2.gz WWYAJHJVXYYIMM-UHFFFAOYSA-N 2 2 235.375 2.976 20 0 BFADLP CCCC(CCC)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257338457 971249273 /nfs/dbraw/zinc/24/92/73/971249273.db2.gz WWYAJHJVXYYIMM-UHFFFAOYSA-N 2 2 235.375 2.976 20 0 BFADLP CCCC[C@@H](CC)n1cc[nH+]c1CC[NH3+] ZINC001257409398 971304512 /nfs/dbraw/zinc/30/45/12/971304512.db2.gz HGUFMOZOVUUYDH-LLVKDONJSA-N 2 2 209.337 2.526 20 0 BFADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405878892 971316753 /nfs/dbraw/zinc/31/67/53/971316753.db2.gz KJSIZQWMUPFSMK-MRXNPFEDSA-N 2 2 246.398 2.907 20 0 BFADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@@](C)([NH3+])C2)cc1 ZINC000405878892 971316756 /nfs/dbraw/zinc/31/67/56/971316756.db2.gz KJSIZQWMUPFSMK-MRXNPFEDSA-N 2 2 246.398 2.907 20 0 BFADLP CC[C@H](C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001257433178 971341778 /nfs/dbraw/zinc/34/17/78/971341778.db2.gz FWLWZKGHIFVIBB-IHRRRGAJSA-N 2 2 247.386 2.956 20 0 BFADLP CCC[C@H](C)CC[C@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001257469889 971393658 /nfs/dbraw/zinc/39/36/58/971393658.db2.gz BUOSHMCCUHLNGN-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[NH+]1CCC([N@@H+]2CCC[C@@H](F)C2)CC1 ZINC001258014606 971558313 /nfs/dbraw/zinc/55/83/13/971558313.db2.gz ORLGNGPVKIZLPD-CYBMUJFWSA-N 2 2 242.382 2.541 20 0 BFADLP CC(C)C[NH+]1CCC([N@H+]2CCC[C@@H](F)C2)CC1 ZINC001258014606 971558323 /nfs/dbraw/zinc/55/83/23/971558323.db2.gz ORLGNGPVKIZLPD-CYBMUJFWSA-N 2 2 242.382 2.541 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC001258051204 971572560 /nfs/dbraw/zinc/57/25/60/971572560.db2.gz CGHYUTNYOSUDPG-KGLIPLIRSA-N 2 2 237.391 2.934 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC001258051206 971575453 /nfs/dbraw/zinc/57/54/53/971575453.db2.gz CGHYUTNYOSUDPG-ZIAGYGMSSA-N 2 2 237.391 2.934 20 0 BFADLP CC1CCC([NH2+][C@@H](C[NH3+])c2ccccc2)CC1 ZINC001246075787 972132007 /nfs/dbraw/zinc/13/20/07/972132007.db2.gz KPRMFOBLIWJMSA-ZALBZXLWSA-N 2 2 232.371 2.855 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246085136 972139652 /nfs/dbraw/zinc/13/96/52/972139652.db2.gz GVAQXIIFFQTPMZ-IGQOVBAYSA-N 2 2 244.398 2.737 20 0 BFADLP CCCC[C@@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246111201 972175712 /nfs/dbraw/zinc/17/57/12/972175712.db2.gz OFYRSPXINLUIDA-IHRRRGAJSA-N 2 2 244.398 2.881 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1ccc(C)cc1 ZINC001246236903 972241895 /nfs/dbraw/zinc/24/18/95/972241895.db2.gz ZOSABSULVVLJSZ-YUELXQCFSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+][C@H](C)C2)c(C)c1 ZINC001246290198 972258418 /nfs/dbraw/zinc/25/84/18/972258418.db2.gz FZFOVARJAKIXOY-RDBSUJKOSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+][C@@H](C)C2)c(C)c1 ZINC001246290179 972258882 /nfs/dbraw/zinc/25/88/82/972258882.db2.gz FZFOVARJAKIXOY-MELADBBJSA-N 2 2 232.371 2.704 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[NH2+][C@@H](C)C2)c1 ZINC001246409825 972313896 /nfs/dbraw/zinc/31/38/96/972313896.db2.gz CKRGKHKGIYRVPJ-IHRRRGAJSA-N 2 2 232.371 2.704 20 0 BFADLP CCc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000398961982 958460663 /nfs/dbraw/zinc/46/06/63/958460663.db2.gz NRFDXARIWKCMKA-CZUORRHYSA-N 2 2 246.398 2.821 20 0 BFADLP CCc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000398961982 958460672 /nfs/dbraw/zinc/46/06/72/958460672.db2.gz NRFDXARIWKCMKA-CZUORRHYSA-N 2 2 246.398 2.821 20 0 BFADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC=C(Cl)Cl ZINC000403671249 958788157 /nfs/dbraw/zinc/78/81/57/958788157.db2.gz UZTZBSZGLKNLKJ-SECBINFHSA-N 2 2 237.174 2.509 20 0 BFADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC=C(Cl)Cl ZINC000403671249 958788172 /nfs/dbraw/zinc/78/81/72/958788172.db2.gz UZTZBSZGLKNLKJ-SECBINFHSA-N 2 2 237.174 2.509 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192643 972402300 /nfs/dbraw/zinc/40/23/00/972402300.db2.gz XXPXKSJYFAGBOH-HNNXBMFYSA-N 2 2 236.403 2.785 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CC[C@]12CCC[NH2+]C2 ZINC001222192643 972402307 /nfs/dbraw/zinc/40/23/07/972402307.db2.gz XXPXKSJYFAGBOH-HNNXBMFYSA-N 2 2 236.403 2.785 20 0 BFADLP C[C@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140800194 960591099 /nfs/dbraw/zinc/59/10/99/960591099.db2.gz YTJJNGBCLFBWBI-NSHDSACASA-N 2 2 229.327 2.795 20 0 BFADLP C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140800194 960591107 /nfs/dbraw/zinc/59/11/07/960591107.db2.gz YTJJNGBCLFBWBI-NSHDSACASA-N 2 2 229.327 2.795 20 0 BFADLP CC[C@@H]1CCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804961 960602175 /nfs/dbraw/zinc/60/21/75/960602175.db2.gz LVRCBJKWUIAYLZ-GFCCVEGCSA-N 2 2 229.327 2.937 20 0 BFADLP CC[C@@H]1CCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140804961 960602182 /nfs/dbraw/zinc/60/21/82/960602182.db2.gz LVRCBJKWUIAYLZ-GFCCVEGCSA-N 2 2 229.327 2.937 20 0 BFADLP Cc1c[nH+]c(N2CC[C@@H]([N@@H+](C)C(C)C)C2)cc1C ZINC001157019814 963513156 /nfs/dbraw/zinc/51/31/56/963513156.db2.gz FXQUWEWFTKEJOB-CQSZACIVSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1c[nH+]c(N2CC[C@@H]([N@H+](C)C(C)C)C2)cc1C ZINC001157019814 963513161 /nfs/dbraw/zinc/51/31/61/963513161.db2.gz FXQUWEWFTKEJOB-CQSZACIVSA-N 2 2 247.386 2.617 20 0 BFADLP C[C@@]1([NH3+])CC[N@H+](Cc2cccc3sccc32)C1 ZINC001204801651 963674073 /nfs/dbraw/zinc/67/40/73/963674073.db2.gz RTFXEIIYUKLFMN-CQSZACIVSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@@]1([NH3+])CC[N@@H+](Cc2cccc3sccc32)C1 ZINC001204801651 963674078 /nfs/dbraw/zinc/67/40/78/963674078.db2.gz RTFXEIIYUKLFMN-CQSZACIVSA-N 2 2 246.379 2.824 20 0 BFADLP Cc1c[nH+]c(N[C@H]2CCCC[C@@H]2[NH+](C)C)c(C)c1 ZINC001157796505 963728686 /nfs/dbraw/zinc/72/86/86/963728686.db2.gz ASROVRZPWDLOOP-KBPBESRZSA-N 2 2 247.386 2.983 20 0 BFADLP C=Cc1ccc(NCC(C)(C)C[NH+](C)C)[nH+]c1 ZINC001157944733 963778612 /nfs/dbraw/zinc/77/86/12/963778612.db2.gz PYYRCRHDBBMZGT-UHFFFAOYSA-N 2 2 233.359 2.724 20 0 BFADLP CC1CCC([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001168221480 963998072 /nfs/dbraw/zinc/99/80/72/963998072.db2.gz DGCMJWSILZTFKN-SHWKFHJASA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)CC1 ZINC001168221480 963998073 /nfs/dbraw/zinc/99/80/73/963998073.db2.gz DGCMJWSILZTFKN-SHWKFHJASA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)CC1 ZINC001168221480 963998079 /nfs/dbraw/zinc/99/80/79/963998079.db2.gz DGCMJWSILZTFKN-SHWKFHJASA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)CC1 ZINC001168221480 963998082 /nfs/dbraw/zinc/99/80/82/963998082.db2.gz DGCMJWSILZTFKN-SHWKFHJASA-N 2 2 236.403 2.591 20 0 BFADLP CCc1cccc(NC=CC2CC[NH2+]CC2)[nH+]1 ZINC001159281148 964049517 /nfs/dbraw/zinc/04/95/17/964049517.db2.gz OWEKCMHYTJGUHP-DHZHZOJOSA-N 2 2 231.343 2.569 20 0 BFADLP CCc1[nH+]ccc(C)c1NC1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001159417274 964078699 /nfs/dbraw/zinc/07/86/99/964078699.db2.gz UUDKYKKJFVRPKY-NEPJUHHUSA-N 2 2 243.354 2.773 20 0 BFADLP CCCc1cc[nH+]c(NC2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001159409052 964080674 /nfs/dbraw/zinc/08/06/74/964080674.db2.gz OBJIHPIKXAOHQH-OLZOCXBDSA-N 2 2 243.354 2.854 20 0 BFADLP [NH3+]C/C=C/CNc1[nH+]ccc2cc(Cl)ccc21 ZINC001160976656 964466182 /nfs/dbraw/zinc/46/61/82/964466182.db2.gz FELAYLDZIPOBEN-OWOJBTEDSA-N 2 2 247.729 2.815 20 0 BFADLP CCc1cc(Nc2cccc3[nH+]c[nH]c32)cc[nH+]1 ZINC001213029196 964508596 /nfs/dbraw/zinc/50/85/96/964508596.db2.gz IFARCOUHUSIXFR-UHFFFAOYSA-N 2 2 238.294 2.686 20 0 BFADLP Cc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[NH+](C)C ZINC001162405388 964966695 /nfs/dbraw/zinc/96/66/95/964966695.db2.gz UTXIRUUGCJAZKE-CHWSQXEVSA-N 2 2 247.386 2.743 20 0 BFADLP C/C(=C\C=C\[NH3+])n1ccc2cc([C@@H](C)[NH3+])ccc21 ZINC001162910482 965205410 /nfs/dbraw/zinc/20/54/10/965205410.db2.gz UYUAVRSVFSUMHK-RLZMCKGESA-N 2 2 241.338 2.994 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccc2cccccc1-2 ZINC001236144016 966279940 /nfs/dbraw/zinc/27/99/40/966279940.db2.gz OPFNAPYNOSFQLE-UHFFFAOYSA-N 2 2 228.339 2.572 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccc2cccccc1-2 ZINC001236144016 966279950 /nfs/dbraw/zinc/27/99/50/966279950.db2.gz OPFNAPYNOSFQLE-UHFFFAOYSA-N 2 2 228.339 2.572 20 0 BFADLP CCCCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236173913 966296139 /nfs/dbraw/zinc/29/61/39/966296139.db2.gz RNRRIFDBCFRUOB-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP CCCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC001236173913 966296147 /nfs/dbraw/zinc/29/61/47/966296147.db2.gz RNRRIFDBCFRUOB-OAHLLOKOSA-N 2 2 232.371 2.562 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc2ccsc2c1 ZINC001236251729 966321253 /nfs/dbraw/zinc/32/12/53/966321253.db2.gz ZXNRDIXGHPVKQH-CYBMUJFWSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc2ccsc2c1 ZINC001236251729 966321263 /nfs/dbraw/zinc/32/12/63/966321263.db2.gz ZXNRDIXGHPVKQH-CYBMUJFWSA-N 2 2 246.379 2.824 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c(C)[nH]c2ccccc21 ZINC001236866296 966598709 /nfs/dbraw/zinc/59/87/09/966598709.db2.gz YKLXZROULBUDGX-LBPRGKRZSA-N 2 2 245.370 2.645 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c(C)[nH]c2ccccc21 ZINC001236866296 966598716 /nfs/dbraw/zinc/59/87/16/966598716.db2.gz YKLXZROULBUDGX-LBPRGKRZSA-N 2 2 245.370 2.645 20 0 BFADLP CCc1ccc(C)[nH+]c1Nc1c[nH+]c(N)c(C)c1 ZINC001249779570 967055778 /nfs/dbraw/zinc/05/57/78/967055778.db2.gz WLSPMEXVIWOHFM-UHFFFAOYSA-N 2 2 242.326 2.982 20 0 BFADLP CCOc1cc[nH+]cc1Nc1c[nH+]c(N)c(C)c1 ZINC001249782585 967059942 /nfs/dbraw/zinc/05/99/42/967059942.db2.gz YSLFXZIEYQCXEP-UHFFFAOYSA-N 2 2 244.298 2.510 20 0 BFADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc3ccsc3c2)C1 ZINC001204790857 967168893 /nfs/dbraw/zinc/16/88/93/967168893.db2.gz NFNMXSBUUXSLNW-CQSZACIVSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc3ccsc3c2)C1 ZINC001204790857 967168901 /nfs/dbraw/zinc/16/89/01/967168901.db2.gz NFNMXSBUUXSLNW-CQSZACIVSA-N 2 2 246.379 2.824 20 0 BFADLP CCCCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204885051 967211316 /nfs/dbraw/zinc/21/13/16/967211316.db2.gz GAIWMBPXCUPVBG-INIZCTEOSA-N 2 2 246.398 2.952 20 0 BFADLP CCCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])C2)cc1 ZINC001204885051 967211322 /nfs/dbraw/zinc/21/13/22/967211322.db2.gz GAIWMBPXCUPVBG-INIZCTEOSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@](C)([NH3+])C2)cc1C ZINC001204937244 967240229 /nfs/dbraw/zinc/24/02/29/967240229.db2.gz APOKKGMADASXJV-HNNXBMFYSA-N 2 2 232.371 2.617 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])C2)cc1C ZINC001204937244 967240246 /nfs/dbraw/zinc/24/02/46/967240246.db2.gz APOKKGMADASXJV-HNNXBMFYSA-N 2 2 232.371 2.617 20 0 BFADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1ccc2occc2c1 ZINC001205068541 967323714 /nfs/dbraw/zinc/32/37/14/967323714.db2.gz JQJKDEYKDBLMTG-FZMZJTMJSA-N 2 2 244.338 2.744 20 0 BFADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1ccc2occc2c1 ZINC001205068541 967323727 /nfs/dbraw/zinc/32/37/27/967323727.db2.gz JQJKDEYKDBLMTG-FZMZJTMJSA-N 2 2 244.338 2.744 20 0 BFADLP C[C@H]1CC[C@@H](C[NH3+])[N@@H+]1Cc1cc2ccccc2o1 ZINC001205069084 967327953 /nfs/dbraw/zinc/32/79/53/967327953.db2.gz VDJHYXRQFNUXQF-AAEUAGOBSA-N 2 2 244.338 2.744 20 0 BFADLP C[C@H]1CC[C@@H](C[NH3+])[N@H+]1Cc1cc2ccccc2o1 ZINC001205069084 967327961 /nfs/dbraw/zinc/32/79/61/967327961.db2.gz VDJHYXRQFNUXQF-AAEUAGOBSA-N 2 2 244.338 2.744 20 0 BFADLP C[C@@H]1C[N@H+](C[C@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164935 967406585 /nfs/dbraw/zinc/40/65/85/967406585.db2.gz WYQYRDCZOWQNFZ-UKRRQHHQSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1C[N@@H+](C[C@H]2CCCC[NH2+]2)Cc2ccccc21 ZINC001205164935 967406591 /nfs/dbraw/zinc/40/65/91/967406591.db2.gz WYQYRDCZOWQNFZ-UKRRQHHQSA-N 2 2 244.382 2.748 20 0 BFADLP CNc1ccc(Nc2c[nH+]c3ccccn23)c[nH+]1 ZINC001203448751 967759187 /nfs/dbraw/zinc/75/91/87/967759187.db2.gz ILPDYBADSHOEEW-UHFFFAOYSA-N 2 2 239.282 2.515 20 0 BFADLP CCC[N@H+](CCC[NH+](C)C)Cc1ncccc1C ZINC001205813749 967834305 /nfs/dbraw/zinc/83/43/05/967834305.db2.gz HBSRJNPQLPGJLS-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ncccc1C ZINC001205813749 967834306 /nfs/dbraw/zinc/83/43/06/967834306.db2.gz HBSRJNPQLPGJLS-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CC(C)CC[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020201244 967848223 /nfs/dbraw/zinc/84/82/23/967848223.db2.gz KBHCUGVACWPFMY-CYBMUJFWSA-N 2 2 214.397 2.598 20 0 BFADLP Cc1cc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cs1 ZINC001205851863 967855112 /nfs/dbraw/zinc/85/51/12/967855112.db2.gz CMDNFUODLDUXLO-GXFFZTMASA-N 2 2 238.400 2.616 20 0 BFADLP Cc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])cs1 ZINC001205851863 967855105 /nfs/dbraw/zinc/85/51/05/967855105.db2.gz CMDNFUODLDUXLO-GXFFZTMASA-N 2 2 238.400 2.616 20 0 BFADLP CCC[NH+](CCC)CCC[NH2+]Cc1ccoc1 ZINC000728063713 968330711 /nfs/dbraw/zinc/33/07/11/968330711.db2.gz YUKJLCGUBXOXJN-UHFFFAOYSA-N 2 2 238.375 2.881 20 0 BFADLP CSc1cc(Nc2cc[nH+]c(N)c2)cc[nH+]1 ZINC001206543259 968371540 /nfs/dbraw/zinc/37/15/40/968371540.db2.gz USXDVAHZWZCRAK-UHFFFAOYSA-N 2 2 232.312 2.524 20 0 BFADLP CC1(C[NH3+])C[NH+](Cc2csc3ccccc23)C1 ZINC001206723016 968435672 /nfs/dbraw/zinc/43/56/72/968435672.db2.gz KRXOZWGTYSSJDL-UHFFFAOYSA-N 2 2 246.379 2.682 20 0 BFADLP CC(C)Cc1ccc(C[NH+]2CC(C)(C[NH3+])C2)cc1 ZINC001206729380 968444216 /nfs/dbraw/zinc/44/42/16/968444216.db2.gz FCKXYXIBPNDQEL-UHFFFAOYSA-N 2 2 246.398 2.666 20 0 BFADLP CC[N@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)C1CC[NH+](C)CC1 ZINC001207626567 968841660 /nfs/dbraw/zinc/84/16/60/968841660.db2.gz HMDVIHLHSBQVKA-RRFJBIMHSA-N 2 2 248.414 2.615 20 0 BFADLP CC[N@@H+](C[C@H]1C[C@H]2C=C[C@@H]1C2)C1CC[NH+](C)CC1 ZINC001207626567 968841661 /nfs/dbraw/zinc/84/16/61/968841661.db2.gz HMDVIHLHSBQVKA-RRFJBIMHSA-N 2 2 248.414 2.615 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ncccc1C ZINC001207858651 968903003 /nfs/dbraw/zinc/90/30/03/968903003.db2.gz YIVYHXMBAQPFLA-CQSZACIVSA-N 2 2 249.402 2.600 20 0 BFADLP CC[NH+]1CCC([NH+]2C3CCCC2CCC3)CC1 ZINC001169262159 969517087 /nfs/dbraw/zinc/51/70/87/969517087.db2.gz UKZKQGYOTYFZKI-UHFFFAOYSA-N 2 2 236.403 2.878 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001169249349 969540308 /nfs/dbraw/zinc/54/03/08/969540308.db2.gz HIRFPXMJHCEPCK-ZIAGYGMSSA-N 2 2 236.403 2.593 20 0 BFADLP CC[NH+]1CCC([N@H+]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC001169249349 969540314 /nfs/dbraw/zinc/54/03/14/969540314.db2.gz HIRFPXMJHCEPCK-ZIAGYGMSSA-N 2 2 236.403 2.593 20 0 BFADLP CC[N@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209728750 969582810 /nfs/dbraw/zinc/58/28/10/969582810.db2.gz UUAJUSJQNTWGHT-UHFFFAOYSA-N 2 2 241.338 2.516 20 0 BFADLP CC[N@@H+](Cc1ccccc1)Cc1c[nH+]ccc1N ZINC001209728750 969582817 /nfs/dbraw/zinc/58/28/17/969582817.db2.gz UUAJUSJQNTWGHT-UHFFFAOYSA-N 2 2 241.338 2.516 20 0 BFADLP C[N@@H+](Cc1c[nH+]ccc1N)CC1CCCCC1 ZINC001209731217 969592015 /nfs/dbraw/zinc/59/20/15/969592015.db2.gz QETMWDPYVXYQJD-UHFFFAOYSA-N 2 2 233.359 2.506 20 0 BFADLP C[N@H+](Cc1c[nH+]ccc1N)CC1CCCCC1 ZINC001209731217 969592020 /nfs/dbraw/zinc/59/20/20/969592020.db2.gz QETMWDPYVXYQJD-UHFFFAOYSA-N 2 2 233.359 2.506 20 0 BFADLP C[N@H+](C1CC[NH+](C)CC1)C1CCC2(CC2)CC1 ZINC001254439940 969629372 /nfs/dbraw/zinc/62/93/72/969629372.db2.gz KRLUWPCPPRYFOH-UHFFFAOYSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@@H+](C1CC[NH+](C)CC1)C1CCC2(CC2)CC1 ZINC001254439940 969629376 /nfs/dbraw/zinc/62/93/76/969629376.db2.gz KRLUWPCPPRYFOH-UHFFFAOYSA-N 2 2 236.403 2.735 20 0 BFADLP CC1([NH2+][C@H]2CC3CC[NH+](CC3)C2)CCCCC1 ZINC001254833434 969796518 /nfs/dbraw/zinc/79/65/18/969796518.db2.gz PNFRUVPDSDRLOV-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CCCCC1 ZINC001254832807 969796751 /nfs/dbraw/zinc/79/67/51/969796751.db2.gz RMMZRIMORARPPY-HNNXBMFYSA-N 2 2 236.403 2.641 20 0 BFADLP CCCC[C@@H](C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001255324527 970105936 /nfs/dbraw/zinc/10/59/36/970105936.db2.gz FPSVWESUXIJLNV-LLVKDONJSA-N 2 2 235.375 2.631 20 0 BFADLP C[NH2+]Cc1cccc(Nc2[nH+]c(C)ccc2O)c1 ZINC001211136266 970157778 /nfs/dbraw/zinc/15/77/78/970157778.db2.gz SFJRSYCCGKREKB-UHFFFAOYSA-N 2 2 243.310 2.559 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001170118628 970340143 /nfs/dbraw/zinc/34/01/43/970340143.db2.gz TVNONQIUOHEVHJ-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001170118628 970340156 /nfs/dbraw/zinc/34/01/56/970340156.db2.gz TVNONQIUOHEVHJ-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC001170117839 970346489 /nfs/dbraw/zinc/34/64/89/970346489.db2.gz NZORXWZJJBVPSP-BFHYXJOUSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC001170117839 970346501 /nfs/dbraw/zinc/34/65/01/970346501.db2.gz NZORXWZJJBVPSP-BFHYXJOUSA-N 2 2 236.403 2.782 20 0 BFADLP CC[N@H+]([C@H]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC001170145978 970434369 /nfs/dbraw/zinc/43/43/69/970434369.db2.gz XGEOWYADKYOTJO-OCCSQVGLSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@@H+]([C@H]1CC[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC001170145978 970434375 /nfs/dbraw/zinc/43/43/75/970434375.db2.gz XGEOWYADKYOTJO-OCCSQVGLSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@@H]1CC[C@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C1 ZINC001170149670 970445974 /nfs/dbraw/zinc/44/59/74/970445974.db2.gz LHLQACYLNADDAI-UPJWGTAASA-N 2 2 233.359 2.711 20 0 BFADLP CC(C)[C@H]1CCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256080991 970647222 /nfs/dbraw/zinc/64/72/22/970647222.db2.gz KNNYEZIYAAABND-OAHLLOKOSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)[C@H]1CCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256080991 970647229 /nfs/dbraw/zinc/64/72/29/970647229.db2.gz KNNYEZIYAAABND-OAHLLOKOSA-N 2 2 236.403 2.734 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000401320956 970684162 /nfs/dbraw/zinc/68/41/62/970684162.db2.gz ACVGFNCMXRIUMO-ZIAGYGMSSA-N 2 2 235.375 2.689 20 0 BFADLP Cc1cccc(C2([NH2+]C3CC[NH+](C)CC3)CC2)c1 ZINC001256201470 970695092 /nfs/dbraw/zinc/69/50/92/970695092.db2.gz KSDKLMVIMKRBRQ-UHFFFAOYSA-N 2 2 244.382 2.668 20 0 BFADLP C[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001256208024 970712119 /nfs/dbraw/zinc/71/21/19/970712119.db2.gz UWIRVOYMQSSUQP-INIZCTEOSA-N 2 2 244.382 2.918 20 0 BFADLP C[NH+]1CCC([N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC001256208024 970712136 /nfs/dbraw/zinc/71/21/36/970712136.db2.gz UWIRVOYMQSSUQP-INIZCTEOSA-N 2 2 244.382 2.918 20 0 BFADLP Cc1[nH+]cn([C@H](C)CCC(C)C)c1CC[NH3+] ZINC001256353120 970750245 /nfs/dbraw/zinc/75/02/45/970750245.db2.gz PIIABVPSZNKEPO-LLVKDONJSA-N 2 2 223.364 2.690 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@]1(C)CCC[N@H+](C)C1 ZINC001256361217 970760312 /nfs/dbraw/zinc/76/03/12/970760312.db2.gz PEUQQXLXADDBOL-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@]1(C)CCC[N@@H+](C)C1 ZINC001256361217 970760318 /nfs/dbraw/zinc/76/03/18/970760318.db2.gz PEUQQXLXADDBOL-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])C[C@H](F)C2)CC(C)(C)C1 ZINC001246586039 972963427 /nfs/dbraw/zinc/96/34/27/972963427.db2.gz PRGFLNGQOVXKPY-XQHKEYJVSA-N 2 2 242.382 2.572 20 0 BFADLP C[C@@H]1C[C@H]([N@H+]2C[C@H]([NH3+])C[C@H](F)C2)CC(C)(C)C1 ZINC001246586039 972963443 /nfs/dbraw/zinc/96/34/43/972963443.db2.gz PRGFLNGQOVXKPY-XQHKEYJVSA-N 2 2 242.382 2.572 20 0 BFADLP Cc1cc(CO[C@@H]2CCC[N@@H+](C)CC2)cc(C)[nH+]1 ZINC001223420566 973055961 /nfs/dbraw/zinc/05/59/61/973055961.db2.gz KPXIGCGWVLBASD-OAHLLOKOSA-N 2 2 248.370 2.699 20 0 BFADLP Cc1cc(CO[C@@H]2CCC[N@H+](C)CC2)cc(C)[nH+]1 ZINC001223420566 973055974 /nfs/dbraw/zinc/05/59/74/973055974.db2.gz KPXIGCGWVLBASD-OAHLLOKOSA-N 2 2 248.370 2.699 20 0 BFADLP Cc1ccc(CC[C@H](C)[NH2+][C@H](C)C[NH+](C)C)cc1 ZINC001171656302 974125818 /nfs/dbraw/zinc/12/58/18/974125818.db2.gz ZITJPZYKROSUQS-LSDHHAIUSA-N 2 2 248.414 2.856 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172377455 974580995 /nfs/dbraw/zinc/58/09/95/974580995.db2.gz XTDUOPWGVYZZBP-SGMGOOAPSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CC[C@H](C)[C@@H](C)C1)C2 ZINC001172377455 974581002 /nfs/dbraw/zinc/58/10/02/974581002.db2.gz XTDUOPWGVYZZBP-SGMGOOAPSA-N 2 2 247.386 2.832 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)CCOC(C)C ZINC001172433168 974718794 /nfs/dbraw/zinc/71/87/94/974718794.db2.gz GYQSSRCKNGZYHT-CQSZACIVSA-N 2 2 244.423 2.512 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)CCOC(C)C ZINC001172433168 974718800 /nfs/dbraw/zinc/71/88/00/974718800.db2.gz GYQSSRCKNGZYHT-CQSZACIVSA-N 2 2 244.423 2.512 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+]CC[NH+](CC)CC ZINC001172384905 974727247 /nfs/dbraw/zinc/72/72/47/974727247.db2.gz WXIYNPXWBQLHHW-ZDUSSCGKSA-N 2 2 214.397 2.743 20 0 BFADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC001331553956 974760746 /nfs/dbraw/zinc/76/07/46/974760746.db2.gz QZZGMRHWBVCACP-CHWSQXEVSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC001331553956 974760754 /nfs/dbraw/zinc/76/07/54/974760754.db2.gz QZZGMRHWBVCACP-CHWSQXEVSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC001331553956 974760759 /nfs/dbraw/zinc/76/07/59/974760759.db2.gz QZZGMRHWBVCACP-CHWSQXEVSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC001331553956 974760761 /nfs/dbraw/zinc/76/07/61/974760761.db2.gz QZZGMRHWBVCACP-CHWSQXEVSA-N 2 2 236.359 2.503 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001173271835 975147765 /nfs/dbraw/zinc/14/77/65/975147765.db2.gz IIYUIEULRXWASW-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001173271835 975147772 /nfs/dbraw/zinc/14/77/72/975147772.db2.gz IIYUIEULRXWASW-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP CCc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+](C)C)cc1 ZINC001173240178 975163870 /nfs/dbraw/zinc/16/38/70/975163870.db2.gz WKTWSLQBWYWLPT-UONOGXRCSA-N 2 2 248.414 2.720 20 0 BFADLP CCSC[C@@H](C)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001173303411 975206568 /nfs/dbraw/zinc/20/65/68/975206568.db2.gz ZDOWWJLMYFUBLZ-LLVKDONJSA-N 2 2 249.383 2.566 20 0 BFADLP CC[C@H]1CC[C@H]([N@@H+]2CCn3c(C)[nH+]cc3C2)C1 ZINC001173279144 975234663 /nfs/dbraw/zinc/23/46/63/975234663.db2.gz GYTGNEHLGQWHKJ-STQMWFEESA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@H]1CC[C@H]([N@H+]2CCn3c(C)[nH+]cc3C2)C1 ZINC001173279144 975234669 /nfs/dbraw/zinc/23/46/69/975234669.db2.gz GYTGNEHLGQWHKJ-STQMWFEESA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@@H]1CC[C@H]([N@H+](CC)CCn2cc[nH+]c2)C1 ZINC001173285266 975243644 /nfs/dbraw/zinc/24/36/44/975243644.db2.gz VKRPBPTTWLZONH-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H]1CC[C@H]([N@@H+](CC)CCn2cc[nH+]c2)C1 ZINC001173285266 975243649 /nfs/dbraw/zinc/24/36/49/975243649.db2.gz VKRPBPTTWLZONH-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)Nc1cccc[nH+]1 ZINC001338303178 978657675 /nfs/dbraw/zinc/65/76/75/978657675.db2.gz WRELAQRONIAFMR-GFCCVEGCSA-N 2 2 221.348 2.614 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000070748571 978891388 /nfs/dbraw/zinc/89/13/88/978891388.db2.gz VSSWKVGYIYQVFP-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC)C1 ZINC000070748571 978891391 /nfs/dbraw/zinc/89/13/91/978891391.db2.gz VSSWKVGYIYQVFP-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)=CCC[C@H](C)CC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235148560 978981928 /nfs/dbraw/zinc/98/19/28/978981928.db2.gz XWMAGQVEXALKGX-KKUMJFAQSA-N 2 2 236.403 2.792 20 0 BFADLP Cc1ccc([C@H](C)CC[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)o1 ZINC001235164706 978985757 /nfs/dbraw/zinc/98/57/57/978985757.db2.gz CXSRUHMYSRQXPK-OSAQELSMSA-N 2 2 248.370 2.505 20 0 BFADLP Cc1ccc([C@H](C)CC[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)o1 ZINC001235164706 978985762 /nfs/dbraw/zinc/98/57/62/978985762.db2.gz CXSRUHMYSRQXPK-OSAQELSMSA-N 2 2 248.370 2.505 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](CCC(C)(C)c2ccccc2)C1 ZINC001235828913 979164810 /nfs/dbraw/zinc/16/48/10/979164810.db2.gz LZUQKZCVOINLBD-OAHLLOKOSA-N 2 2 246.398 2.648 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](CCC(C)(C)c2ccccc2)C1 ZINC001235828913 979164815 /nfs/dbraw/zinc/16/48/15/979164815.db2.gz LZUQKZCVOINLBD-OAHLLOKOSA-N 2 2 246.398 2.648 20 0 BFADLP CCc1cccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)c1 ZINC001235907953 979204435 /nfs/dbraw/zinc/20/44/35/979204435.db2.gz VIWXWONZHOFXDQ-SWLSCSKDSA-N 2 2 232.371 2.561 20 0 BFADLP CCc1cccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)c1 ZINC001235907953 979204441 /nfs/dbraw/zinc/20/44/41/979204441.db2.gz VIWXWONZHOFXDQ-SWLSCSKDSA-N 2 2 232.371 2.561 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235985099 979266416 /nfs/dbraw/zinc/26/64/16/979266416.db2.gz AZIATVSQIGTLHB-CVEARBPZSA-N 2 2 244.382 2.562 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235985099 979266426 /nfs/dbraw/zinc/26/64/26/979266426.db2.gz AZIATVSQIGTLHB-CVEARBPZSA-N 2 2 244.382 2.562 20 0 BFADLP CC[N@H+](Cc1cc(C)cs1)[C@@H]1CCC[NH2+]C1 ZINC001236005375 979290938 /nfs/dbraw/zinc/29/09/38/979290938.db2.gz LOHPSQABMIYWAH-GFCCVEGCSA-N 2 2 238.400 2.630 20 0 BFADLP CC[N@@H+](Cc1cc(C)cs1)[C@@H]1CCC[NH2+]C1 ZINC001236005375 979290946 /nfs/dbraw/zinc/29/09/46/979290946.db2.gz LOHPSQABMIYWAH-GFCCVEGCSA-N 2 2 238.400 2.630 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1sc2ccccc2c1C ZINC001236141547 979408431 /nfs/dbraw/zinc/40/84/31/979408431.db2.gz IEDGOLNQEHWBBE-UHFFFAOYSA-N 2 2 248.395 2.990 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1sc2ccccc2c1C ZINC001236141547 979408437 /nfs/dbraw/zinc/40/84/37/979408437.db2.gz IEDGOLNQEHWBBE-UHFFFAOYSA-N 2 2 248.395 2.990 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)c2ccccc12 ZINC001236168491 979421208 /nfs/dbraw/zinc/42/12/08/979421208.db2.gz JQRDXPSRWZIIFY-AWEZNQCLSA-N 2 2 240.350 2.681 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)c2ccccc12 ZINC001236168491 979421217 /nfs/dbraw/zinc/42/12/17/979421217.db2.gz JQRDXPSRWZIIFY-AWEZNQCLSA-N 2 2 240.350 2.681 20 0 BFADLP Cc1c2ccccc2sc1C[N@@H+]1CC[C@H]([NH3+])C1 ZINC001236170691 979426207 /nfs/dbraw/zinc/42/62/07/979426207.db2.gz ZHBVQWDYQVWPHC-NSHDSACASA-N 2 2 246.379 2.743 20 0 BFADLP Cc1c2ccccc2sc1C[N@H+]1CC[C@H]([NH3+])C1 ZINC001236170691 979426224 /nfs/dbraw/zinc/42/62/24/979426224.db2.gz ZHBVQWDYQVWPHC-NSHDSACASA-N 2 2 246.379 2.743 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236421656 979591975 /nfs/dbraw/zinc/59/19/75/979591975.db2.gz RQXFXVIRYXPWFZ-BBRMVZONSA-N 2 2 246.398 2.951 20 0 BFADLP CCCc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1 ZINC001236421656 979591983 /nfs/dbraw/zinc/59/19/83/979591983.db2.gz RQXFXVIRYXPWFZ-BBRMVZONSA-N 2 2 246.398 2.951 20 0 BFADLP Cc1cc(C)cc([C@@H]2CCC[N@@H+]2C[C@@H]2CC[NH2+]2)c1 ZINC001236428340 979596060 /nfs/dbraw/zinc/59/60/60/979596060.db2.gz IQQZJEPXLWZPNZ-HOTGVXAUSA-N 2 2 244.382 2.802 20 0 BFADLP Cc1cc(C)cc([C@@H]2CCC[N@H+]2C[C@@H]2CC[NH2+]2)c1 ZINC001236428340 979596069 /nfs/dbraw/zinc/59/60/69/979596069.db2.gz IQQZJEPXLWZPNZ-HOTGVXAUSA-N 2 2 244.382 2.802 20 0 BFADLP CNc1cc(-c2cccc(C[NH+](C)C)c2)cc[nH+]1 ZINC001236425003 979596592 /nfs/dbraw/zinc/59/65/92/979596592.db2.gz BQYSVZCJWDMUDB-UHFFFAOYSA-N 2 2 241.338 2.852 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1c[nH]c2cccc(C)c12 ZINC001236867786 979771990 /nfs/dbraw/zinc/77/19/90/979771990.db2.gz AQFUNOCSQWCXRB-ZDUSSCGKSA-N 2 2 245.370 2.645 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1c[nH]c2cccc(C)c12 ZINC001236867786 979771999 /nfs/dbraw/zinc/77/19/99/979771999.db2.gz AQFUNOCSQWCXRB-ZDUSSCGKSA-N 2 2 245.370 2.645 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)c(C)s1 ZINC001236885202 979776622 /nfs/dbraw/zinc/77/66/22/979776622.db2.gz XKUXVDCUQIOICA-NSHDSACASA-N 2 2 226.389 2.534 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)c(C)s1 ZINC001236885202 979776630 /nfs/dbraw/zinc/77/66/30/979776630.db2.gz XKUXVDCUQIOICA-NSHDSACASA-N 2 2 226.389 2.534 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(Cl)ccc1C ZINC001236884352 979778998 /nfs/dbraw/zinc/77/89/98/979778998.db2.gz PGXUKPHHXMMKLK-ZDUSSCGKSA-N 2 2 240.778 2.818 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)ccc1C ZINC001236884352 979779004 /nfs/dbraw/zinc/77/90/04/979779004.db2.gz PGXUKPHHXMMKLK-ZDUSSCGKSA-N 2 2 240.778 2.818 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2c1CCCC2 ZINC001236883476 979779319 /nfs/dbraw/zinc/77/93/19/979779319.db2.gz CJTKXSJVBVWYJF-HNNXBMFYSA-N 2 2 246.398 2.735 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2c1CCCC2 ZINC001236883476 979779328 /nfs/dbraw/zinc/77/93/28/979779328.db2.gz CJTKXSJVBVWYJF-HNNXBMFYSA-N 2 2 246.398 2.735 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001237203753 979846028 /nfs/dbraw/zinc/84/60/28/979846028.db2.gz KRVXBQHCHXZDCL-WBMJQRKESA-N 2 2 244.382 2.876 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001237203753 979846030 /nfs/dbraw/zinc/84/60/30/979846030.db2.gz KRVXBQHCHXZDCL-WBMJQRKESA-N 2 2 244.382 2.876 20 0 BFADLP CCC[C@H](C)CC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC001183573549 979851428 /nfs/dbraw/zinc/85/14/28/979851428.db2.gz VMTXAXOWWQVLFK-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1c[nH+]c(C)c(Nc2cc[nH+]c3c2CCC3)c1 ZINC001203656446 980489151 /nfs/dbraw/zinc/48/91/51/980489151.db2.gz TYCGVSBFJTWKST-UHFFFAOYSA-N 2 2 239.322 2.748 20 0 BFADLP Cc1c[nH+]c(C)c(Nc2cc[nH+]c(N(C)C)c2)c1 ZINC001203657025 980493858 /nfs/dbraw/zinc/49/38/58/980493858.db2.gz GVWNSXYANXALSF-UHFFFAOYSA-N 2 2 242.326 2.903 20 0 BFADLP CCc1cc(Nc2cc(C)c[nH+]c2C)cc[nH+]1 ZINC001203658097 980498026 /nfs/dbraw/zinc/49/80/26/980498026.db2.gz WJEXBPFTXFZOPD-UHFFFAOYSA-N 2 2 227.311 2.821 20 0 BFADLP CNc1cc(-c2ccccc2C[NH+](C)C)cc[nH+]1 ZINC001239682787 980840599 /nfs/dbraw/zinc/84/05/99/980840599.db2.gz BXYCCGMMHDNBRM-UHFFFAOYSA-N 2 2 241.338 2.852 20 0 BFADLP CCc1ccc(NCCCn2cc[nH+]c2C)[nH+]c1 ZINC001348009426 981243460 /nfs/dbraw/zinc/24/34/60/981243460.db2.gz OXEZRLQSGJKEQF-UHFFFAOYSA-N 2 2 244.342 2.651 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])s1 ZINC001205804288 982562467 /nfs/dbraw/zinc/56/24/67/982562467.db2.gz MNRVGLFQSJSTIH-CMPLNLGQSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])s1 ZINC001205804288 982562471 /nfs/dbraw/zinc/56/24/71/982562471.db2.gz MNRVGLFQSJSTIH-CMPLNLGQSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1csc(C[N@@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205815814 982626760 /nfs/dbraw/zinc/62/67/60/982626760.db2.gz IAGLKWHTQXGAST-PWSUYJOCSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1csc(C[N@H+]2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205815814 982626762 /nfs/dbraw/zinc/62/67/62/982626762.db2.gz IAGLKWHTQXGAST-PWSUYJOCSA-N 2 2 238.400 2.616 20 0 BFADLP Cn1c[nH+]cc1C1CC[NH+](CC2(C)CCC2)CC1 ZINC001198769174 982832280 /nfs/dbraw/zinc/83/22/80/982832280.db2.gz KUJBOXFCGUBZCV-UHFFFAOYSA-N 2 2 247.386 2.790 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205880469 983066713 /nfs/dbraw/zinc/06/67/13/983066713.db2.gz IMAJASWTNUCQHX-CJNGLKHVSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205880469 983066720 /nfs/dbraw/zinc/06/67/20/983066720.db2.gz IMAJASWTNUCQHX-CJNGLKHVSA-N 2 2 246.398 2.979 20 0 BFADLP [NH3+]Cc1ccc(-c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001241913006 983130880 /nfs/dbraw/zinc/13/08/80/983130880.db2.gz IRYJRKBEHVMMAS-UHFFFAOYSA-N 2 2 249.317 2.998 20 0 BFADLP Cc1cc(N)[nH+]cc1-c1c[nH+]cc2cc[nH]c21 ZINC001242085564 983335338 /nfs/dbraw/zinc/33/53/38/983335338.db2.gz XUDMIMHNLHVNQX-UHFFFAOYSA-N 2 2 224.267 2.516 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001200837788 983393200 /nfs/dbraw/zinc/39/32/00/983393200.db2.gz GVAWXAJGICVWAE-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001200837788 983393210 /nfs/dbraw/zinc/39/32/10/983393210.db2.gz GVAWXAJGICVWAE-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cn2cc(-c3ccc4c(c3)C[NH2+]C4)ccc2[nH+]1 ZINC001242675920 984046374 /nfs/dbraw/zinc/04/63/74/984046374.db2.gz MRNMKMCRXYRSEW-UHFFFAOYSA-N 2 2 249.317 2.913 20 0 BFADLP Cc1[nH]c2ccc(Nc3c(C)[nH+]cn3C)cc2[nH+]1 ZINC001213072370 984259480 /nfs/dbraw/zinc/25/94/80/984259480.db2.gz PPRAIHGEMFFEQY-UHFFFAOYSA-N 2 2 241.298 2.657 20 0 BFADLP CCCC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275118526 984494316 /nfs/dbraw/zinc/49/43/16/984494316.db2.gz ZGPSHABQQLGLMW-UHFFFAOYSA-N 2 2 236.403 2.737 20 0 BFADLP CCCC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001275118526 984494322 /nfs/dbraw/zinc/49/43/22/984494322.db2.gz ZGPSHABQQLGLMW-UHFFFAOYSA-N 2 2 236.403 2.737 20 0 BFADLP Cn1c[nH+]cc1-c1ccc([C@@H]2CC[N@H+](C)C2)cc1 ZINC001243070978 984499272 /nfs/dbraw/zinc/49/92/72/984499272.db2.gz DNSNDUFUWDJXJD-CQSZACIVSA-N 2 2 241.338 2.506 20 0 BFADLP Cn1c[nH+]cc1-c1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001243070978 984499280 /nfs/dbraw/zinc/49/92/80/984499280.db2.gz DNSNDUFUWDJXJD-CQSZACIVSA-N 2 2 241.338 2.506 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+]2CCCC[C@H](F)C2)CC1 ZINC001257214599 984853312 /nfs/dbraw/zinc/85/33/12/984853312.db2.gz HPYOKWSSFVKIPP-ZDUSSCGKSA-N 2 2 242.382 2.683 20 0 BFADLP CC(C)[NH+]1CCC([N@H+]2CCCC[C@H](F)C2)CC1 ZINC001257214599 984853313 /nfs/dbraw/zinc/85/33/13/984853313.db2.gz HPYOKWSSFVKIPP-ZDUSSCGKSA-N 2 2 242.382 2.683 20 0 BFADLP CCc1ccc(C[NH2+]C[C@H]2CCCCC[NH2+]2)cc1 ZINC001578259960 984905834 /nfs/dbraw/zinc/90/58/34/984905834.db2.gz TXVDLVXIWWFVTP-MRXNPFEDSA-N 2 2 246.398 2.871 20 0 BFADLP Cc1ccc(C[NH2+]CC[C@H](C)[NH+](C)C)c(F)c1 ZINC000686499239 985123292 /nfs/dbraw/zinc/12/32/92/985123292.db2.gz VAPDRABGSIXYIZ-LBPRGKRZSA-N 2 2 238.350 2.564 20 0 BFADLP CC(C)=CCC[C@@H](C)n1cc[nH+]c1CC[NH3+] ZINC001258077912 985382190 /nfs/dbraw/zinc/38/21/90/985382190.db2.gz FURZSYRHPSHFDA-GFCCVEGCSA-N 2 2 221.348 2.692 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]CCc1[nH+]ccn1C ZINC001258086535 985387467 /nfs/dbraw/zinc/38/74/67/985387467.db2.gz UMVIOPHXUMFYOK-ZDUSSCGKSA-N 2 2 235.375 2.687 20 0 BFADLP Cc1cn2c(cccc2/C=C/C2CC[NH2+]CC2)[nH+]1 ZINC001243893827 985574581 /nfs/dbraw/zinc/57/45/81/985574581.db2.gz UOAYRSWSAQBBBQ-AATRIKPKSA-N 2 2 241.338 2.656 20 0 BFADLP Cc1cn2cc(/C=C/C3CC[NH2+]CC3)ccc2[nH+]1 ZINC001243895900 985577397 /nfs/dbraw/zinc/57/73/97/985577397.db2.gz JBFISCBJXKQWKS-NSCUHMNNSA-N 2 2 241.338 2.656 20 0 BFADLP Fc1ccc(C2=C[NH2+]CCC2)cc1-n1cc[nH+]c1 ZINC001243953884 985668665 /nfs/dbraw/zinc/66/86/65/985668665.db2.gz OAHJEIAHAOFZJN-UHFFFAOYSA-N 2 2 243.285 2.736 20 0 BFADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000688891706 985751283 /nfs/dbraw/zinc/75/12/83/985751283.db2.gz FBZVAFIVUUDONG-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000688891706 985751306 /nfs/dbraw/zinc/75/13/06/985751306.db2.gz FBZVAFIVUUDONG-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001258454205 985896019 /nfs/dbraw/zinc/89/60/19/985896019.db2.gz IBKSGCUHIXZSEW-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001258454205 985896027 /nfs/dbraw/zinc/89/60/27/985896027.db2.gz IBKSGCUHIXZSEW-OCCSQVGLSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC1CC1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC001258471992 985938805 /nfs/dbraw/zinc/93/88/05/985938805.db2.gz IQHMUMCDTOIOCJ-GFCCVEGCSA-N 2 2 233.359 2.709 20 0 BFADLP Cc1cc[nH+]c(C)c1-c1cccc(OCC[NH3+])c1 ZINC001244325255 985953313 /nfs/dbraw/zinc/95/33/13/985953313.db2.gz UUXXJPQHIOGYTI-UHFFFAOYSA-N 2 2 242.322 2.703 20 0 BFADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](C)[NH3+])o1 ZINC001579678280 986180320 /nfs/dbraw/zinc/18/03/20/986180320.db2.gz KCLICIUOGUTIKR-MDZLAQPJSA-N 2 2 236.359 2.708 20 0 BFADLP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](C)[NH3+])o1 ZINC001579678280 986180332 /nfs/dbraw/zinc/18/03/32/986180332.db2.gz KCLICIUOGUTIKR-MDZLAQPJSA-N 2 2 236.359 2.708 20 0 BFADLP Cc1cccc(CCC[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC001579759288 986209833 /nfs/dbraw/zinc/20/98/33/986209833.db2.gz BYYJDNFVSWIGSB-HNNXBMFYSA-N 2 2 246.398 2.597 20 0 BFADLP Cc1cccc(CCC[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC001579759288 986209866 /nfs/dbraw/zinc/20/98/66/986209866.db2.gz BYYJDNFVSWIGSB-HNNXBMFYSA-N 2 2 246.398 2.597 20 0 BFADLP Cc1ccccc1C[NH2+]C[C@H]1CCC(C)(C)C[NH2+]1 ZINC001579802306 986226395 /nfs/dbraw/zinc/22/63/95/986226395.db2.gz XELNTHUZWIDQPX-OAHLLOKOSA-N 2 2 246.398 2.863 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001258813363 986273388 /nfs/dbraw/zinc/27/33/88/986273388.db2.gz KBIGPNYJZIBVPP-MJBXVCDLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001258813363 986273403 /nfs/dbraw/zinc/27/34/03/986273403.db2.gz KBIGPNYJZIBVPP-MJBXVCDLSA-N 2 2 236.403 2.782 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1cc(C)ccn1 ZINC001255940762 987079799 /nfs/dbraw/zinc/07/97/99/987079799.db2.gz GGGHJULKYYYWBF-AWEZNQCLSA-N 2 2 249.402 2.600 20 0 BFADLP Cc1cc2[nH+]ccn2cc1-c1ccc2c[nH+]cn2c1 ZINC001245895817 987108335 /nfs/dbraw/zinc/10/83/35/987108335.db2.gz FOTGEBJHOXWOHA-UHFFFAOYSA-N 2 2 248.289 2.957 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246087635 987391636 /nfs/dbraw/zinc/39/16/36/987391636.db2.gz PMPFAARYWOKKKS-RWMBFGLXSA-N 2 2 230.371 2.635 20 0 BFADLP CCCCCC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246088491 987391689 /nfs/dbraw/zinc/39/16/89/987391689.db2.gz UWKRDUMSPMZXKR-YNEHKIRRSA-N 2 2 230.371 2.635 20 0 BFADLP CC(C)([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1 ZINC001246092290 987399301 /nfs/dbraw/zinc/39/93/01/987399301.db2.gz IDAVNMGZLYVIKP-CQSZACIVSA-N 2 2 232.371 2.653 20 0 BFADLP CCCC[C@H](CC(C)C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC001246093091 987403042 /nfs/dbraw/zinc/40/30/42/987403042.db2.gz VESOMZWMDXDBAQ-MJBXVCDLSA-N 2 2 244.398 2.881 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246169228 987533745 /nfs/dbraw/zinc/53/37/45/987533745.db2.gz HQMCTRKOKWORPG-HOCLYGCPSA-N 2 2 246.398 2.945 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246204353 987600847 /nfs/dbraw/zinc/60/08/47/987600847.db2.gz GVAQXIIFFQTPMZ-ZOBORPQBSA-N 2 2 244.398 2.737 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246214309 987610710 /nfs/dbraw/zinc/61/07/10/987610710.db2.gz GVAQXIIFFQTPMZ-AAVRWANBSA-N 2 2 244.398 2.737 20 0 BFADLP CCCCC[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001246219587 987616767 /nfs/dbraw/zinc/61/67/67/987616767.db2.gz CFJJHEJKEYNDCY-KGLIPLIRSA-N 2 2 226.408 2.935 20 0 BFADLP Cc1ccc(C(C)(C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246237914 987636208 /nfs/dbraw/zinc/63/62/08/987636208.db2.gz JVGNMSGTRHKSFT-HIFRSBDPSA-N 2 2 246.398 2.960 20 0 BFADLP Cc1ccc(C(C)(C)[NH2+][C@H]2C[NH2+][C@H](C)C2)cc1 ZINC001246240550 987642566 /nfs/dbraw/zinc/64/25/66/987642566.db2.gz QWGXQBZAABNMLG-TZMCWYRMSA-N 2 2 232.371 2.570 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1cccc(C)c1 ZINC001246262614 987658502 /nfs/dbraw/zinc/65/85/02/987658502.db2.gz BPDOVUWHTNQCQP-BPLDGKMQSA-N 2 2 232.371 2.786 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])c2ccccc2)C1 ZINC001246313803 987715626 /nfs/dbraw/zinc/71/56/26/987715626.db2.gz UCWFPWVSRDHBSD-CFVMTHIKSA-N 2 2 232.371 2.855 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[NH2+][C@H](C)C1 ZINC001246317409 987723660 /nfs/dbraw/zinc/72/36/60/987723660.db2.gz NNBKBZRMQFOBER-RDBSUJKOSA-N 2 2 232.371 2.704 20 0 BFADLP CCCCCC[C@@H](C)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246335234 987741569 /nfs/dbraw/zinc/74/15/69/987741569.db2.gz HEYPWIOABLGFGO-CHWSQXEVSA-N 2 2 244.448 2.640 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+][C@@H](C)C2)cc1 ZINC001246369659 987770371 /nfs/dbraw/zinc/77/03/71/987770371.db2.gz CHXFRDPPPBRBLH-ZOWXZIJZSA-N 2 2 232.371 2.650 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC001246369646 987772112 /nfs/dbraw/zinc/77/21/12/987772112.db2.gz CHXFRDPPPBRBLH-JMSVASOKSA-N 2 2 232.371 2.650 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246388893 987778002 /nfs/dbraw/zinc/77/80/02/987778002.db2.gz NLFYERURCPXKNA-DZGCQCFKSA-N 2 2 246.398 2.960 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC001246394819 987782329 /nfs/dbraw/zinc/78/23/29/987782329.db2.gz USBGDAMWHSRYTO-HNNXBMFYSA-N 2 2 246.398 2.962 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC001246394821 987782377 /nfs/dbraw/zinc/78/23/77/987782377.db2.gz USBGDAMWHSRYTO-OAHLLOKOSA-N 2 2 246.398 2.962 20 0 BFADLP Cc1cccc(C2([NH2+][C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC001246477870 987834937 /nfs/dbraw/zinc/83/49/37/987834937.db2.gz IKGGGVNYLQKIFJ-OAHLLOKOSA-N 2 2 244.382 2.716 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246491953 987848161 /nfs/dbraw/zinc/84/81/61/987848161.db2.gz VIZZFNVBYHNYNA-INWMFGNUSA-N 2 2 244.382 2.712 20 0 BFADLP CC(C)[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccncc1 ZINC001246514146 987864350 /nfs/dbraw/zinc/86/43/50/987864350.db2.gz HMKJGNQQFMOKJH-AEGPPILISA-N 2 2 247.386 2.509 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccccc3[C@H]2C)C[NH2+]1 ZINC001246544882 987922285 /nfs/dbraw/zinc/92/22/85/987922285.db2.gz DAYGAUYLLIVDMG-UMVBOHGHSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+]2CCc3ccccc3[C@H]2C)C[NH2+]1 ZINC001246544882 987922308 /nfs/dbraw/zinc/92/23/08/987922308.db2.gz DAYGAUYLLIVDMG-UMVBOHGHSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3[C@H](C)C2)C[NH2+]1 ZINC001246547672 987924546 /nfs/dbraw/zinc/92/45/46/987924546.db2.gz LZIVTDCYZCXGKN-NFAWXSAZSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3[C@H](C)C2)C[NH2+]1 ZINC001246547672 987924561 /nfs/dbraw/zinc/92/45/61/987924561.db2.gz LZIVTDCYZCXGKN-NFAWXSAZSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1C[C@H]([N@@H+]2C[C@H]([NH3+])C[C@@H](F)C2)CC(C)(C)C1 ZINC001246586034 988132247 /nfs/dbraw/zinc/13/22/47/988132247.db2.gz PRGFLNGQOVXKPY-LPWJVIDDSA-N 2 2 242.382 2.572 20 0 BFADLP C[C@@H]1C[C@H]([N@H+]2C[C@H]([NH3+])C[C@@H](F)C2)CC(C)(C)C1 ZINC001246586034 988132254 /nfs/dbraw/zinc/13/22/54/988132254.db2.gz PRGFLNGQOVXKPY-LPWJVIDDSA-N 2 2 242.382 2.572 20 0 BFADLP CCC(CC)[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246620064 988266677 /nfs/dbraw/zinc/26/66/77/988266677.db2.gz PQSYFVVKHUEVCD-HOTGVXAUSA-N 2 2 244.382 2.746 20 0 BFADLP CCC(CC)[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001246620064 988266696 /nfs/dbraw/zinc/26/66/96/988266696.db2.gz PQSYFVVKHUEVCD-HOTGVXAUSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1C[C@H]([N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC(C)(C)C1 ZINC001246655503 988385926 /nfs/dbraw/zinc/38/59/26/988385926.db2.gz LXWOKXYYJCIRLB-UKTARXLSSA-N 2 2 236.403 2.624 20 0 BFADLP C[C@@H]1C[C@H]([N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)CC(C)(C)C1 ZINC001246655503 988385939 /nfs/dbraw/zinc/38/59/39/988385939.db2.gz LXWOKXYYJCIRLB-UKTARXLSSA-N 2 2 236.403 2.624 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+]2Cc3ccccc3C[C@H]2C)C[NH2+]1 ZINC001246867817 988626398 /nfs/dbraw/zinc/62/63/98/988626398.db2.gz JUZCCSKUGAGHSY-IOASZLSFSA-N 2 2 244.382 2.574 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+]2Cc3ccccc3C[C@H]2C)C[NH2+]1 ZINC001246867817 988626408 /nfs/dbraw/zinc/62/64/08/988626408.db2.gz JUZCCSKUGAGHSY-IOASZLSFSA-N 2 2 244.382 2.574 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[NH2+]C2)cc1C ZINC001246905754 988684292 /nfs/dbraw/zinc/68/42/92/988684292.db2.gz BFXMFXWMACVKED-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@@H]2CCCC[NH2+]C2)cc1C ZINC001246905754 988684300 /nfs/dbraw/zinc/68/43/00/988684300.db2.gz BFXMFXWMACVKED-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cc(F)cc(NC2CC[NH+](C3CC3)CC2)[nH+]1 ZINC001515340196 989031127 /nfs/dbraw/zinc/03/11/27/989031127.db2.gz PIFOJYYBWOBWEG-UHFFFAOYSA-N 2 2 249.333 2.568 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001258066599 990960220 /nfs/dbraw/zinc/96/02/20/990960220.db2.gz PISHWYDKDCDGNK-QWHCGFSZSA-N 2 2 226.408 2.598 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC2(CCC2)CC1 ZINC001308396113 990981832 /nfs/dbraw/zinc/98/18/32/990981832.db2.gz XYEGQHOWTDXDAB-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)CCC[C@@H](n2cc[nH+]c2CC[NH3+])C1 ZINC001258273008 991200758 /nfs/dbraw/zinc/20/07/58/991200758.db2.gz FLIXESALHLQWAA-LLVKDONJSA-N 2 2 221.348 2.526 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+]([C@@H]1CCCC(C)(C)C1)C2 ZINC001258285536 991219123 /nfs/dbraw/zinc/21/91/23/991219123.db2.gz NAKGSHBLFVCRMY-CYBMUJFWSA-N 2 2 247.386 2.976 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+]([C@@H]1CCCC(C)(C)C1)C2 ZINC001258285536 991219130 /nfs/dbraw/zinc/21/91/30/991219130.db2.gz NAKGSHBLFVCRMY-CYBMUJFWSA-N 2 2 247.386 2.976 20 0 BFADLP CCCCC[C@@H](CC)n1cc[nH+]c1CC[NH3+] ZINC001258428908 991359877 /nfs/dbraw/zinc/35/98/77/991359877.db2.gz SBAZVJASOXSXFX-GFCCVEGCSA-N 2 2 223.364 2.916 20 0 BFADLP C=C/C=C/CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560233804 991428879 /nfs/dbraw/zinc/42/88/79/991428879.db2.gz MMGIMKSFBDMGLK-SNAWJCMRSA-N 2 2 245.370 2.732 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@H]1CCC(C)(C)C1 ZINC001258609089 991524148 /nfs/dbraw/zinc/52/41/48/991524148.db2.gz SEZWIZRTPQJYII-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@H]1CCC(C)(C)C1 ZINC001258609089 991524160 /nfs/dbraw/zinc/52/41/60/991524160.db2.gz SEZWIZRTPQJYII-ZDUSSCGKSA-N 2 2 235.375 2.784 20 0 BFADLP CCCCC[C@H](CCC)[NH2+]CC1C[NH+](C)C1 ZINC001258664548 991604859 /nfs/dbraw/zinc/60/48/59/991604859.db2.gz LVZFYFITZZBZLO-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000083427971 991670700 /nfs/dbraw/zinc/67/07/00/991670700.db2.gz ZTPMEODXDYWSPW-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000083427971 991670702 /nfs/dbraw/zinc/67/07/02/991670702.db2.gz ZTPMEODXDYWSPW-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001258815514 991828212 /nfs/dbraw/zinc/82/82/12/991828212.db2.gz XTJNMSSICROUFH-QEJZJMRPSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001258815514 991828216 /nfs/dbraw/zinc/82/82/16/991828216.db2.gz XTJNMSSICROUFH-QEJZJMRPSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1[nH+]c2c(n1[C@@H]1CCC[C@H](C)C1)CC[NH2+]CC2 ZINC001258817877 991832469 /nfs/dbraw/zinc/83/24/69/991832469.db2.gz BWHGWYSUDYWFFT-WCQYABFASA-N 2 2 247.386 2.631 20 0 BFADLP C[C@@H]1C[C@H]([NH+]2CCC3(CCCCC3)CC2)C[NH2+]1 ZINC000383823973 993519967 /nfs/dbraw/zinc/51/99/67/993519967.db2.gz RLKUSFHJJDFXHI-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1C[C@@H]([N@@H+]2CC[NH2+]C[C@@H](C)C2)CC(C)(C)C1 ZINC000385259546 993657281 /nfs/dbraw/zinc/65/72/81/993657281.db2.gz UVTUEIIBXHCCEB-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@@H]([N@H+]2CC[NH2+]C[C@@H](C)C2)CC(C)(C)C1 ZINC000385259546 993657283 /nfs/dbraw/zinc/65/72/83/993657283.db2.gz UVTUEIIBXHCCEB-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC001577608489 993694345 /nfs/dbraw/zinc/69/43/45/993694345.db2.gz FLNNNLMJBLMEEK-OAHLLOKOSA-N 2 2 246.398 2.808 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC001577608489 993694351 /nfs/dbraw/zinc/69/43/51/993694351.db2.gz FLNNNLMJBLMEEK-OAHLLOKOSA-N 2 2 246.398 2.808 20 0 BFADLP CC(C)=CC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308167434 995586279 /nfs/dbraw/zinc/58/62/79/995586279.db2.gz QDRSHVIEWGACRJ-UHFFFAOYSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCC1 ZINC000152040119 136212327 /nfs/dbraw/zinc/21/23/27/136212327.db2.gz SUMUUANMLNMPNM-CJNGLKHVSA-N 2 2 244.382 2.649 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]C1CCC1 ZINC000152040119 136212328 /nfs/dbraw/zinc/21/23/28/136212328.db2.gz SUMUUANMLNMPNM-CJNGLKHVSA-N 2 2 244.382 2.649 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422941881 398159150 /nfs/dbraw/zinc/15/91/50/398159150.db2.gz VXMXHLSOZOMMOI-LKTVYLICSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2cc(F)ccc21)[C@@H]1CCC[NH2+]1 ZINC000422941886 398159299 /nfs/dbraw/zinc/15/92/99/398159299.db2.gz VXMXHLSOZOMMOI-WKPIXPDZSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2cc(F)ccc21)[C@H]1CCC[NH2+]1 ZINC000422941880 398159419 /nfs/dbraw/zinc/15/94/19/398159419.db2.gz VXMXHLSOZOMMOI-KMUNFCNLSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H](C[NH2+]CCn1cc[nH+]c1)C1CCCCC1 ZINC000379871500 398173269 /nfs/dbraw/zinc/17/32/69/398173269.db2.gz YEALVYHCDGFSDW-ZDUSSCGKSA-N 2 2 235.375 2.689 20 0 BFADLP [NH3+][C@H](C[NH2+][C@H]1CCC12CCC2)c1ccccc1 ZINC000423233238 398165327 /nfs/dbraw/zinc/16/53/27/398165327.db2.gz DEPPIJGOIPFVDM-KGLIPLIRSA-N 2 2 230.355 2.609 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@@H]1CC1(C)C ZINC000576410871 365589447 /nfs/dbraw/zinc/58/94/47/365589447.db2.gz OBXXDVHMMMGUAN-STQMWFEESA-N 2 2 235.375 2.643 20 0 BFADLP C[NH+](C)C1(C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421387842 192326401 /nfs/dbraw/zinc/32/64/01/192326401.db2.gz UPYXOHRUWQHASZ-UHFFFAOYSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@H](C)C[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000421392622 192328052 /nfs/dbraw/zinc/32/80/52/192328052.db2.gz XULNIPXVCRLAEM-NSHDSACASA-N 2 2 231.343 2.778 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)oc1C ZINC000282240169 178225583 /nfs/dbraw/zinc/22/55/83/178225583.db2.gz PXEPIBUEJMRFKZ-GFCCVEGCSA-N 2 2 247.342 2.834 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)oc1C ZINC000337400451 178255776 /nfs/dbraw/zinc/25/57/76/178255776.db2.gz PPABSZPXMJEPJO-NEPJUHHUSA-N 2 2 238.375 2.887 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H](C)CC1CCC1)C1CC1 ZINC000167197275 538940500 /nfs/dbraw/zinc/94/05/00/538940500.db2.gz GSUAFUIRAXXAHM-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H](C)CC1CCC1)C1CC1 ZINC000167197275 538940502 /nfs/dbraw/zinc/94/05/02/538940502.db2.gz GSUAFUIRAXXAHM-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522072 398245123 /nfs/dbraw/zinc/24/51/23/398245123.db2.gz MFFYIECZMCQTFW-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000094522072 398245126 /nfs/dbraw/zinc/24/51/26/398245126.db2.gz MFFYIECZMCQTFW-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP CCCC(CCC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000165268309 361837957 /nfs/dbraw/zinc/83/79/57/361837957.db2.gz UYXQHIDKOHBNML-CYBMUJFWSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC(CCC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000165268309 361837963 /nfs/dbraw/zinc/83/79/63/361837963.db2.gz UYXQHIDKOHBNML-CYBMUJFWSA-N 2 2 212.381 2.639 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000309657648 342776777 /nfs/dbraw/zinc/77/67/77/342776777.db2.gz FEIKFAMRRXUEER-KBPBESRZSA-N 2 2 222.376 2.558 20 0 BFADLP CC(C)[NH2+][C@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000309657648 342776778 /nfs/dbraw/zinc/77/67/78/342776778.db2.gz FEIKFAMRRXUEER-KBPBESRZSA-N 2 2 222.376 2.558 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000040671828 538972489 /nfs/dbraw/zinc/97/24/89/538972489.db2.gz AIMSTFVSBZXAAD-ZBFHGGJFSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000040671828 538972490 /nfs/dbraw/zinc/97/24/90/538972490.db2.gz AIMSTFVSBZXAAD-ZBFHGGJFSA-N 2 2 246.398 2.692 20 0 BFADLP Cc1cc(-c2[nH+]ccn2C)ccc1[C@@H]1CCC[NH2+]1 ZINC000630051543 361917827 /nfs/dbraw/zinc/91/78/27/361917827.db2.gz DAUVWMNPWHVYMI-AWEZNQCLSA-N 2 2 241.338 2.820 20 0 BFADLP C[C@H]1C[C@H](c2ccc(-c3[nH+]ccn3C)cc2)C[NH2+]1 ZINC000630053276 361923634 /nfs/dbraw/zinc/92/36/34/361923634.db2.gz RGSKJTGRZLYSSX-FZMZJTMJSA-N 2 2 241.338 2.553 20 0 BFADLP Cc1[nH+]cccc1Cn1cc[nH+]c1C(C)C ZINC000380678795 538991968 /nfs/dbraw/zinc/99/19/68/538991968.db2.gz FMMRYROAOLJVTD-UHFFFAOYSA-N 2 2 215.300 2.758 20 0 BFADLP CC(C)CC[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000379732278 538979893 /nfs/dbraw/zinc/97/98/93/538979893.db2.gz XZCMDVHNDVXFCM-LSDHHAIUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000379732278 538979894 /nfs/dbraw/zinc/97/98/94/538979894.db2.gz XZCMDVHNDVXFCM-LSDHHAIUSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000381388936 538999681 /nfs/dbraw/zinc/99/96/81/538999681.db2.gz NNSRAJQBNXYZNE-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000381388936 538999682 /nfs/dbraw/zinc/99/96/82/538999682.db2.gz NNSRAJQBNXYZNE-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000335645085 136243366 /nfs/dbraw/zinc/24/33/66/136243366.db2.gz YPBIMSAHTZUQST-PSASIEDQSA-N 2 2 244.791 2.632 20 0 BFADLP CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1CCCC1 ZINC000313380835 344010203 /nfs/dbraw/zinc/01/02/03/344010203.db2.gz CCTYPGJOWQRIAW-JSGCOSHPSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC[NH+](C)C)cc1C ZINC000019388536 342947234 /nfs/dbraw/zinc/94/72/34/342947234.db2.gz HJHMWMZGLLGATC-ZDUSSCGKSA-N 2 2 220.360 2.516 20 0 BFADLP C[C@H](F)CC[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000351760330 136252340 /nfs/dbraw/zinc/25/23/40/136252340.db2.gz UIGMZNPBPRLCDC-AVGNSLFASA-N 2 2 239.338 2.514 20 0 BFADLP C[C@H](F)CC[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000351760330 136252341 /nfs/dbraw/zinc/25/23/41/136252341.db2.gz UIGMZNPBPRLCDC-AVGNSLFASA-N 2 2 239.338 2.514 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)o1 ZINC000020129039 342970548 /nfs/dbraw/zinc/97/05/48/342970548.db2.gz CSFOSYXEKMNQKT-ZDUSSCGKSA-N 2 2 236.359 2.725 20 0 BFADLP Cc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000020189005 342975840 /nfs/dbraw/zinc/97/58/40/342975840.db2.gz XZKGQTRJIWPZDX-UHFFFAOYSA-N 2 2 236.359 2.550 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000019942998 342963872 /nfs/dbraw/zinc/96/38/72/342963872.db2.gz LGXHCRFIHLAEIY-CYBMUJFWSA-N 2 2 238.375 2.971 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C[C@@H](C)c1ccccc1 ZINC000035275272 343291772 /nfs/dbraw/zinc/29/17/72/343291772.db2.gz ISVMDQHHEFJSMN-ZIAGYGMSSA-N 2 2 243.354 2.665 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1ccccc1Cl ZINC000035274914 343291817 /nfs/dbraw/zinc/29/18/17/343291817.db2.gz YSNSCMGPGIZFOT-LLVKDONJSA-N 2 2 249.745 2.715 20 0 BFADLP Cc1ccc(CCC[NH2+]CC(C)C)c[nH+]1 ZINC000070639523 343337268 /nfs/dbraw/zinc/33/72/68/343337268.db2.gz CRRMWBQUJUKKHT-UHFFFAOYSA-N 2 2 206.333 2.568 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cccc(F)c1 ZINC000037158340 343337270 /nfs/dbraw/zinc/33/72/70/343337270.db2.gz XMHFUNZDCNVFBI-NWDGAFQWSA-N 2 2 247.317 2.762 20 0 BFADLP C[C@@H](C[NH2+][C@@H](c1ccccc1)C1CC1)[NH+](C)C ZINC000041075795 343415007 /nfs/dbraw/zinc/41/50/07/343415007.db2.gz VBRKTZNXCIOBID-WFASDCNBSA-N 2 2 232.371 2.677 20 0 BFADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccccc1 ZINC000041119184 343415526 /nfs/dbraw/zinc/41/55/26/343415526.db2.gz STVSGZBJUIXIPE-AWEZNQCLSA-N 2 2 229.327 2.624 20 0 BFADLP CC[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(F)cc1 ZINC000041119192 343415620 /nfs/dbraw/zinc/41/56/20/343415620.db2.gz MWWPWQVQFKRJPP-AWEZNQCLSA-N 2 2 247.317 2.763 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@@H+]1C[C@H]1CC=CCC1 ZINC000349033470 136320422 /nfs/dbraw/zinc/32/04/22/136320422.db2.gz MXAAVRSTNFZTJY-OWCLPIDISA-N 2 2 248.414 2.901 20 0 BFADLP C[C@@H]1[C@H]([NH+]2CCCC2)CC[N@H+]1C[C@H]1CC=CCC1 ZINC000349033470 136320423 /nfs/dbraw/zinc/32/04/23/136320423.db2.gz MXAAVRSTNFZTJY-OWCLPIDISA-N 2 2 248.414 2.901 20 0 BFADLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C)cn1 ZINC000349372725 136343529 /nfs/dbraw/zinc/34/35/29/136343529.db2.gz VMZJNQRNZCMZPJ-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C)cn1 ZINC000349372725 136343530 /nfs/dbraw/zinc/34/35/30/136343530.db2.gz VMZJNQRNZCMZPJ-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC[C@@H]1C)CCC2 ZINC000350067042 136353971 /nfs/dbraw/zinc/35/39/71/136353971.db2.gz CUTICTJVVXLJFR-UBHSHLNASA-N 2 2 247.386 2.847 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CCC1)[NH+]1CCC(C)CC1 ZINC000178138149 346947283 /nfs/dbraw/zinc/94/72/83/346947283.db2.gz CFZFSOPZSVHPAT-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CCCC[C@H]1C[N@@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434202 343735340 /nfs/dbraw/zinc/73/53/40/343735340.db2.gz JCERPTIVILNWTR-LBPRGKRZSA-N 2 2 247.386 2.984 20 0 BFADLP CC1(C)CCCC[C@H]1C[N@H+]1CCc2[nH+]c[nH]c2C1 ZINC000625434202 343735342 /nfs/dbraw/zinc/73/53/42/343735342.db2.gz JCERPTIVILNWTR-LBPRGKRZSA-N 2 2 247.386 2.984 20 0 BFADLP C[C@H](C[N@@H+]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000625437684 343740282 /nfs/dbraw/zinc/74/02/82/343740282.db2.gz OBBGEEGYJJHVSF-GFCCVEGCSA-N 2 2 241.338 2.572 20 0 BFADLP C[C@H](C[N@H+]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000625437684 343740284 /nfs/dbraw/zinc/74/02/84/343740284.db2.gz OBBGEEGYJJHVSF-GFCCVEGCSA-N 2 2 241.338 2.572 20 0 BFADLP C[C@@H]1CCC[C@H](CC[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625438851 343740568 /nfs/dbraw/zinc/74/05/68/343740568.db2.gz SPCKRUGWZYTQNN-CHWSQXEVSA-N 2 2 247.386 2.984 20 0 BFADLP C[C@@H]1CCC[C@H](CC[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625438851 343740570 /nfs/dbraw/zinc/74/05/70/343740570.db2.gz SPCKRUGWZYTQNN-CHWSQXEVSA-N 2 2 247.386 2.984 20 0 BFADLP C[C@H]([NH2+]CCCF)c1ccc(-n2cc[nH+]c2)cc1 ZINC000126831259 343714938 /nfs/dbraw/zinc/71/49/38/343714938.db2.gz LLOHHOABGYYAOV-LBPRGKRZSA-N 2 2 247.317 2.883 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000309169410 346976114 /nfs/dbraw/zinc/97/61/14/346976114.db2.gz KRDSHRWTIMXLOL-XQQFMLRXSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309169410 346976118 /nfs/dbraw/zinc/97/61/18/346976118.db2.gz KRDSHRWTIMXLOL-XQQFMLRXSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC1(C[NH2+]Cc2c[nH+]c(C)n2C)CCC1 ZINC000570463623 323060126 /nfs/dbraw/zinc/06/01/26/323060126.db2.gz AOOPIKLMWXIQRK-UHFFFAOYSA-N 2 2 235.375 2.789 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)C1CCCC1 ZINC000387683467 347015415 /nfs/dbraw/zinc/01/54/15/347015415.db2.gz SSOQUSVQPXJWQO-AWEZNQCLSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)C1CCCC1 ZINC000387683467 347015419 /nfs/dbraw/zinc/01/54/19/347015419.db2.gz SSOQUSVQPXJWQO-AWEZNQCLSA-N 2 2 226.408 2.885 20 0 BFADLP C/C=C\C[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309791917 343967043 /nfs/dbraw/zinc/96/70/43/343967043.db2.gz DASCSQPCQACJRQ-YPQKKHBXSA-N 2 2 244.382 2.817 20 0 BFADLP C/C=C\C[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309791917 343967044 /nfs/dbraw/zinc/96/70/44/343967044.db2.gz DASCSQPCQACJRQ-YPQKKHBXSA-N 2 2 244.382 2.817 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)[NH+](C)C ZINC000348109916 537840072 /nfs/dbraw/zinc/84/00/72/537840072.db2.gz UXMQAUDPUBQPBH-ILXRZTDVSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348111183 537840241 /nfs/dbraw/zinc/84/02/41/537840241.db2.gz NWKICGCRZXKYFW-RBSFLKMASA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348111183 537840243 /nfs/dbraw/zinc/84/02/43/537840243.db2.gz NWKICGCRZXKYFW-RBSFLKMASA-N 2 2 236.403 2.639 20 0 BFADLP c1cn(CC[NH+]2CCC3(CCCC3)CC2)c[nH+]1 ZINC000131422713 344278106 /nfs/dbraw/zinc/27/81/06/344278106.db2.gz DHPYIHQQLJYMEJ-UHFFFAOYSA-N 2 2 233.359 2.539 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624100766 344537505 /nfs/dbraw/zinc/53/75/05/344537505.db2.gz CXHMZXGOFLUAIZ-MGPQQGTHSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624100766 344537508 /nfs/dbraw/zinc/53/75/08/344537508.db2.gz CXHMZXGOFLUAIZ-MGPQQGTHSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)n1C ZINC000577888465 344645045 /nfs/dbraw/zinc/64/50/45/344645045.db2.gz UEWHQERFWDQTEX-JTNHKYCSSA-N 2 2 235.375 2.643 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]CCCC1CCCCC1 ZINC000162760804 133533313 /nfs/dbraw/zinc/53/33/13/133533313.db2.gz VEWVJMQWUINMDY-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000153703299 344956802 /nfs/dbraw/zinc/95/68/02/344956802.db2.gz GUPDJSJRJQFJAB-STQMWFEESA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000153703299 344956805 /nfs/dbraw/zinc/95/68/05/344956805.db2.gz GUPDJSJRJQFJAB-STQMWFEESA-N 2 2 224.392 2.637 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(C)(C)C ZINC000385181728 344966937 /nfs/dbraw/zinc/96/69/37/344966937.db2.gz PGKOZAOSTLDMSZ-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(C)(C)C ZINC000385181728 344966940 /nfs/dbraw/zinc/96/69/40/344966940.db2.gz PGKOZAOSTLDMSZ-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCCC1 ZINC000387574004 344938859 /nfs/dbraw/zinc/93/88/59/344938859.db2.gz KFUQXGIDBWNGMO-CQSZACIVSA-N 2 2 235.375 2.832 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000153922686 345002435 /nfs/dbraw/zinc/00/24/35/345002435.db2.gz MDXAYCJYARTPGF-HNNXBMFYSA-N 2 2 248.370 2.971 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000153922686 345002439 /nfs/dbraw/zinc/00/24/39/345002439.db2.gz MDXAYCJYARTPGF-HNNXBMFYSA-N 2 2 248.370 2.971 20 0 BFADLP Cc1ccc(C[NH2+]CCCCn2cc[nH+]c2)s1 ZINC000044353227 345032520 /nfs/dbraw/zinc/03/25/20/345032520.db2.gz FAEJVHZLIDZFBU-UHFFFAOYSA-N 2 2 249.383 2.823 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000319015151 259382167 /nfs/dbraw/zinc/38/21/67/259382167.db2.gz PZJOYHRLQQKAKO-OBJOEFQTSA-N 2 2 220.360 2.711 20 0 BFADLP CCCC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156481652 345167092 /nfs/dbraw/zinc/16/70/92/345167092.db2.gz UBSROFVAKHINHS-QWHCGFSZSA-N 2 2 221.348 2.566 20 0 BFADLP CCCC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156481652 345167095 /nfs/dbraw/zinc/16/70/95/345167095.db2.gz UBSROFVAKHINHS-QWHCGFSZSA-N 2 2 221.348 2.566 20 0 BFADLP CC[C@H](C)[C@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993389 345189860 /nfs/dbraw/zinc/18/98/60/345189860.db2.gz SRQBGCAMTKBMPE-FGZQJIAISA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H](C)[C@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993389 345189863 /nfs/dbraw/zinc/18/98/63/345189863.db2.gz SRQBGCAMTKBMPE-FGZQJIAISA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993395 345190461 /nfs/dbraw/zinc/19/04/61/345190461.db2.gz SYMOLPINEHCIIH-JLVJUDLZSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993395 345190464 /nfs/dbraw/zinc/19/04/64/345190464.db2.gz SYMOLPINEHCIIH-JLVJUDLZSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cscc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000156153658 345133153 /nfs/dbraw/zinc/13/31/53/345133153.db2.gz FMPVSCNGCOEYSF-YPMHNXCESA-N 2 2 238.400 2.629 20 0 BFADLP Cc1cscc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000156153658 345133155 /nfs/dbraw/zinc/13/31/55/345133155.db2.gz FMPVSCNGCOEYSF-YPMHNXCESA-N 2 2 238.400 2.629 20 0 BFADLP CCC[C@H]1[C@H](C)CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993077 345188771 /nfs/dbraw/zinc/18/87/71/345188771.db2.gz KSKDUYIIWYYUHN-JLVJUDLZSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H]1[C@H](C)CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993077 345188772 /nfs/dbraw/zinc/18/87/72/345188772.db2.gz KSKDUYIIWYYUHN-JLVJUDLZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CF)c1ccc(F)cc1 ZINC000635011955 345213757 /nfs/dbraw/zinc/21/37/57/345213757.db2.gz ILOMSHWJFXHPHM-KWBADKCTSA-N 2 2 242.313 2.552 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000049553167 178850399 /nfs/dbraw/zinc/85/03/99/178850399.db2.gz DQKQTRPLTCQORQ-ZYHUDNBSSA-N 2 2 224.348 2.579 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CCC1)[NH+]1CCC(C)CC1 ZINC000434771669 537901461 /nfs/dbraw/zinc/90/14/61/537901461.db2.gz APIHGNAQLMWLJA-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[NH+](C)[C@H]1CCCC[C@@H]1[N@@H+](C)CCC ZINC000224108948 345749649 /nfs/dbraw/zinc/74/96/49/345749649.db2.gz BVSZBENKDXQPDA-KBPBESRZSA-N 2 2 226.408 2.981 20 0 BFADLP CCC[NH+](C)[C@H]1CCCC[C@@H]1[N@H+](C)CCC ZINC000224108948 345749652 /nfs/dbraw/zinc/74/96/52/345749652.db2.gz BVSZBENKDXQPDA-KBPBESRZSA-N 2 2 226.408 2.981 20 0 BFADLP Cc1ccc(CCC[NH2+]C2CC(C)(F)C2)c[nH+]1 ZINC000449375485 201892445 /nfs/dbraw/zinc/89/24/45/201892445.db2.gz HMBOKLJAPARFPE-UHFFFAOYSA-N 2 2 236.334 2.803 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)c(C)o1 ZINC000313288478 537951888 /nfs/dbraw/zinc/95/18/88/537951888.db2.gz YSTCHUABQYBLBC-NSHDSACASA-N 2 2 247.342 2.523 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC000531728916 323111580 /nfs/dbraw/zinc/11/15/80/323111580.db2.gz XJXQCFHAWHBKIV-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC000531728916 323111581 /nfs/dbraw/zinc/11/15/81/323111581.db2.gz XJXQCFHAWHBKIV-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C/C=C\C[C@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000626164182 346277331 /nfs/dbraw/zinc/27/73/31/346277331.db2.gz YADAKQHBBDXURX-JZIMQPMSSA-N 2 2 247.386 2.870 20 0 BFADLP C/C=C\C[C@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000626164182 346277334 /nfs/dbraw/zinc/27/73/34/346277334.db2.gz YADAKQHBBDXURX-JZIMQPMSSA-N 2 2 247.386 2.870 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000577094626 365811092 /nfs/dbraw/zinc/81/10/92/365811092.db2.gz PLCBVHKOMUDWMA-VIFPVBQESA-N 2 2 244.741 2.739 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000577094625 365813445 /nfs/dbraw/zinc/81/34/45/365813445.db2.gz PLCBVHKOMUDWMA-SECBINFHSA-N 2 2 244.741 2.739 20 0 BFADLP Cc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1C ZINC000047892454 179099919 /nfs/dbraw/zinc/09/99/19/179099919.db2.gz HSVDZHVNNTWBEM-CYBMUJFWSA-N 2 2 243.354 2.678 20 0 BFADLP Cc1cccc([N@H+](C)CC2CC[NH2+]CC2)c1C ZINC000178962126 179115980 /nfs/dbraw/zinc/11/59/80/179115980.db2.gz HGXWGBVVYSGQDY-UHFFFAOYSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1cccc([N@@H+](C)CC2CC[NH2+]CC2)c1C ZINC000178962126 179115983 /nfs/dbraw/zinc/11/59/83/179115983.db2.gz HGXWGBVVYSGQDY-UHFFFAOYSA-N 2 2 232.371 2.739 20 0 BFADLP CC(C)C(C[NH2+][C@H](C)Cn1cc[nH+]c1)C(C)C ZINC000380224019 346569446 /nfs/dbraw/zinc/56/94/46/346569446.db2.gz WLKZFICLXODOPK-CYBMUJFWSA-N 2 2 237.391 2.789 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000580158294 346575565 /nfs/dbraw/zinc/57/55/65/346575565.db2.gz QMBPPVNKHYIGDT-VXGBXAGGSA-N 2 2 235.375 2.612 20 0 BFADLP Cc1cccc(NCC[N@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000157097743 179145397 /nfs/dbraw/zinc/14/53/97/179145397.db2.gz LTVRDIZVUHPJDU-GFCCVEGCSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1cccc(NCC[N@@H+]2CCC[C@@H](C)C2)[nH+]1 ZINC000157097743 179145399 /nfs/dbraw/zinc/14/53/99/179145399.db2.gz LTVRDIZVUHPJDU-GFCCVEGCSA-N 2 2 233.359 2.534 20 0 BFADLP Cc1cccc(NCC[N@H+]2CCCC[C@H]2C)[nH+]1 ZINC000157097419 179145581 /nfs/dbraw/zinc/14/55/81/179145581.db2.gz AXCIMOYKTNJWIH-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1cccc(NCC[N@@H+]2CCCC[C@H]2C)[nH+]1 ZINC000157097419 179145582 /nfs/dbraw/zinc/14/55/82/179145582.db2.gz AXCIMOYKTNJWIH-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1cc(Cn2cc[nH+]c2C(C)C)cc[nH+]1 ZINC000621994650 370650719 /nfs/dbraw/zinc/65/07/19/370650719.db2.gz BJULMGJPCTZEEX-UHFFFAOYSA-N 2 2 215.300 2.758 20 0 BFADLP CC(C)CC[C@H]1CCC[C@H]1[NH2+]CC[NH+](C)C ZINC000309673009 347132648 /nfs/dbraw/zinc/13/26/48/347132648.db2.gz KRXBNZWLGYCYJP-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000154641461 179183392 /nfs/dbraw/zinc/18/33/92/179183392.db2.gz KSNCKNDFARLIGK-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000154641461 179183394 /nfs/dbraw/zinc/18/33/94/179183394.db2.gz KSNCKNDFARLIGK-UKRRQHHQSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]CCCC(C)C ZINC000309988649 347212551 /nfs/dbraw/zinc/21/25/51/347212551.db2.gz ZLUBGQZWEQAOPY-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+]CCCC(C)C ZINC000309988649 347212555 /nfs/dbraw/zinc/21/25/55/347212555.db2.gz ZLUBGQZWEQAOPY-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000310039327 347222373 /nfs/dbraw/zinc/22/23/73/347222373.db2.gz WXRQXTYKGDRCKW-BFHYXJOUSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@@H]2CC2(C)C)c[nH+]1 ZINC000354351096 187373920 /nfs/dbraw/zinc/37/39/20/187373920.db2.gz JNIQDWVPRARPDZ-AWEZNQCLSA-N 2 2 232.371 2.958 20 0 BFADLP Cc1cccc([C@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000251209609 179194992 /nfs/dbraw/zinc/19/49/92/179194992.db2.gz ZFIJATOWIPHWHL-IMJJTQAJSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1cccc([C@H](C)[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000251209609 179194994 /nfs/dbraw/zinc/19/49/94/179194994.db2.gz ZFIJATOWIPHWHL-IMJJTQAJSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000041119631 179195749 /nfs/dbraw/zinc/19/57/49/179195749.db2.gz CCANAAVIUMAVIP-ZDUSSCGKSA-N 2 2 229.327 2.542 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+]CC[NH+]1CCCC1 ZINC000359515898 179217112 /nfs/dbraw/zinc/21/71/12/179217112.db2.gz TXECCQQNYUQEJM-MRXNPFEDSA-N 2 2 244.382 2.668 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000020201714 259398083 /nfs/dbraw/zinc/39/80/83/259398083.db2.gz GTKSICMHMCTOIM-STQMWFEESA-N 2 2 214.397 2.741 20 0 BFADLP CCCC(CCC)[NH2+]CC[NH+]1CCCC1 ZINC000020126980 168581755 /nfs/dbraw/zinc/58/17/55/168581755.db2.gz ITBXBIMMELVPHX-UHFFFAOYSA-N 2 2 212.381 2.641 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C)CC(C)C)[NH+](C)C ZINC000020554266 259399479 /nfs/dbraw/zinc/39/94/79/259399479.db2.gz SYPSFKGJUAAMKH-UONOGXRCSA-N 2 2 228.424 2.987 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@@H](C)c1ccccc1)[NH+](C)C ZINC000449557720 201967503 /nfs/dbraw/zinc/96/75/03/201967503.db2.gz SLKXCEZRJWIGKM-MJBXVCDLSA-N 2 2 234.387 2.718 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCCC12CCCC2 ZINC000328293523 187392534 /nfs/dbraw/zinc/39/25/34/187392534.db2.gz SDGUVPYJBDMMGU-CQSZACIVSA-N 2 2 236.403 2.785 20 0 BFADLP C1CC1[N@@H+]1CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000044683914 187394486 /nfs/dbraw/zinc/39/44/86/187394486.db2.gz RNZYVOHLGCYYGI-CYBMUJFWSA-N 2 2 222.376 2.536 20 0 BFADLP C1CC1[N@H+]1CC[C@@H]([NH2+]C2CCCCCC2)C1 ZINC000044683914 187394488 /nfs/dbraw/zinc/39/44/88/187394488.db2.gz RNZYVOHLGCYYGI-CYBMUJFWSA-N 2 2 222.376 2.536 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166880196 179554516 /nfs/dbraw/zinc/55/45/16/179554516.db2.gz TXLMAQIWXBILRB-NWDGAFQWSA-N 2 2 238.400 2.801 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166880196 179554517 /nfs/dbraw/zinc/55/45/17/179554517.db2.gz TXLMAQIWXBILRB-NWDGAFQWSA-N 2 2 238.400 2.801 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H]1C ZINC000082857558 348850463 /nfs/dbraw/zinc/85/04/63/348850463.db2.gz QWTAULCUXHCVLO-UPJWGTAASA-N 2 2 226.408 2.741 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000623785636 362932495 /nfs/dbraw/zinc/93/24/95/362932495.db2.gz AENKFERSZWWYII-QBOMHBFWSA-N 2 2 244.382 2.774 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000623785636 362932499 /nfs/dbraw/zinc/93/24/99/362932499.db2.gz AENKFERSZWWYII-QBOMHBFWSA-N 2 2 244.382 2.774 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000532240318 323211189 /nfs/dbraw/zinc/21/11/89/323211189.db2.gz LDMHNOOUYPLGIO-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000532240318 323211191 /nfs/dbraw/zinc/21/11/91/323211191.db2.gz LDMHNOOUYPLGIO-UONOGXRCSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C)[NH+](C)C ZINC000222118032 349375245 /nfs/dbraw/zinc/37/52/45/349375245.db2.gz PAXWFXWAMPLRKW-RWMBFGLXSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000532531102 323274182 /nfs/dbraw/zinc/27/41/82/323274182.db2.gz LUNUDTNSUZWHEV-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCCC1CCCC1 ZINC000532531102 323274184 /nfs/dbraw/zinc/27/41/84/323274184.db2.gz LUNUDTNSUZWHEV-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000083390778 350194103 /nfs/dbraw/zinc/19/41/03/350194103.db2.gz MQNVKAGOGVTUDT-ZIAGYGMSSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C[C@H]1CC=CCC1 ZINC000037166550 191069290 /nfs/dbraw/zinc/06/92/90/191069290.db2.gz PXLGGUWDMWJTOB-GJZGRUSLSA-N 2 2 238.419 2.909 20 0 BFADLP Cc1[nH+]ccn1CCC[N@H+](CC(F)F)C(C)C ZINC000270704911 180240047 /nfs/dbraw/zinc/24/00/47/180240047.db2.gz YNLQBWDFWSHPMC-UHFFFAOYSA-N 2 2 245.317 2.557 20 0 BFADLP Cc1[nH+]ccn1CCC[N@@H+](CC(F)F)C(C)C ZINC000270704911 180240049 /nfs/dbraw/zinc/24/00/49/180240049.db2.gz YNLQBWDFWSHPMC-UHFFFAOYSA-N 2 2 245.317 2.557 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000336727004 180256318 /nfs/dbraw/zinc/25/63/18/180256318.db2.gz XWOLHWRRZUNVKT-UPJWGTAASA-N 2 2 235.375 2.558 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000336727004 180256321 /nfs/dbraw/zinc/25/63/21/180256321.db2.gz XWOLHWRRZUNVKT-UPJWGTAASA-N 2 2 235.375 2.558 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000336693706 180256346 /nfs/dbraw/zinc/25/63/46/180256346.db2.gz DAFHFAWAJKKCAE-HNNXBMFYSA-N 2 2 241.338 2.639 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H]1c1ccccc1 ZINC000336693706 180256349 /nfs/dbraw/zinc/25/63/49/180256349.db2.gz DAFHFAWAJKKCAE-HNNXBMFYSA-N 2 2 241.338 2.639 20 0 BFADLP CCCCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000605150741 350261210 /nfs/dbraw/zinc/26/12/10/350261210.db2.gz WDRJGQPSCJKHCD-CYBMUJFWSA-N 2 2 221.348 2.710 20 0 BFADLP CCCCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000605150741 350261214 /nfs/dbraw/zinc/26/12/14/350261214.db2.gz WDRJGQPSCJKHCD-CYBMUJFWSA-N 2 2 221.348 2.710 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427870889 191099053 /nfs/dbraw/zinc/09/90/53/191099053.db2.gz ZDQCZERBGCGQCM-HZSPNIEDSA-N 2 2 247.386 2.756 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000328202609 350392256 /nfs/dbraw/zinc/39/22/56/350392256.db2.gz SJAAWGVCMIBNBA-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000328202609 350392260 /nfs/dbraw/zinc/39/22/60/350392260.db2.gz SJAAWGVCMIBNBA-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](CCCC(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000163386764 350518325 /nfs/dbraw/zinc/51/83/25/350518325.db2.gz MTAQTEBHRVHXCC-JTQLQIEISA-N 2 2 249.280 2.594 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000070558521 350537751 /nfs/dbraw/zinc/53/77/51/350537751.db2.gz NLRHRLBVMCTFBY-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000070558521 350537754 /nfs/dbraw/zinc/53/77/54/350537754.db2.gz NLRHRLBVMCTFBY-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000163791751 350846508 /nfs/dbraw/zinc/84/65/08/350846508.db2.gz AISRTQPZFOJZPV-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000163791751 350846511 /nfs/dbraw/zinc/84/65/11/350846511.db2.gz AISRTQPZFOJZPV-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccs1 ZINC000248534319 350862355 /nfs/dbraw/zinc/86/23/55/350862355.db2.gz VBLGDESUJJAHBW-VXGBXAGGSA-N 2 2 238.400 2.883 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccs1 ZINC000248534319 350862358 /nfs/dbraw/zinc/86/23/58/350862358.db2.gz VBLGDESUJJAHBW-VXGBXAGGSA-N 2 2 238.400 2.883 20 0 BFADLP Cc1ccc([C@@H](C)C[N@H+](C)CC2C[NH+](C)C2)cc1 ZINC000628338125 351281762 /nfs/dbraw/zinc/28/17/62/351281762.db2.gz AGKNQECGYCSHNB-AWEZNQCLSA-N 2 2 246.398 2.592 20 0 BFADLP Cc1ccc([C@@H](C)C[N@@H+](C)CC2C[NH+](C)C2)cc1 ZINC000628338125 351281765 /nfs/dbraw/zinc/28/17/65/351281765.db2.gz AGKNQECGYCSHNB-AWEZNQCLSA-N 2 2 246.398 2.592 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1CCC1 ZINC000252713034 538100228 /nfs/dbraw/zinc/10/02/28/538100228.db2.gz OCKFOWURKPXOAV-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC1CCC1 ZINC000252713034 538100230 /nfs/dbraw/zinc/10/02/30/538100230.db2.gz OCKFOWURKPXOAV-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@@H](C)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000223364060 535166659 /nfs/dbraw/zinc/16/66/59/535166659.db2.gz SIPVJKHPNJMLNM-HZSPNIEDSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000223364060 535166663 /nfs/dbraw/zinc/16/66/63/535166663.db2.gz SIPVJKHPNJMLNM-HZSPNIEDSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000340110332 351905198 /nfs/dbraw/zinc/90/51/98/351905198.db2.gz XLWNSXZXDQLKIW-JSGCOSHPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC1CCC(C)(C)CC1 ZINC000340110332 351905199 /nfs/dbraw/zinc/90/51/99/351905199.db2.gz XLWNSXZXDQLKIW-JSGCOSHPSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285623621 352053337 /nfs/dbraw/zinc/05/33/37/352053337.db2.gz KXHLMJBVIHWFJK-UHFFFAOYSA-N 2 2 238.375 2.689 20 0 BFADLP CC(C)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000285623621 352053340 /nfs/dbraw/zinc/05/33/40/352053340.db2.gz KXHLMJBVIHWFJK-UHFFFAOYSA-N 2 2 238.375 2.689 20 0 BFADLP CC(C)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000285623621 352053343 /nfs/dbraw/zinc/05/33/43/352053343.db2.gz KXHLMJBVIHWFJK-UHFFFAOYSA-N 2 2 238.375 2.689 20 0 BFADLP CC(C)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000285623621 352053345 /nfs/dbraw/zinc/05/33/45/352053345.db2.gz KXHLMJBVIHWFJK-UHFFFAOYSA-N 2 2 238.375 2.689 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000037157466 358468518 /nfs/dbraw/zinc/46/85/18/358468518.db2.gz AGKRXDQCAIERKK-STQMWFEESA-N 2 2 223.364 2.686 20 0 BFADLP Cc1ccc(CC[NH2+]C[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000638576295 352406890 /nfs/dbraw/zinc/40/68/90/352406890.db2.gz XHRREMGNWZZNGL-AWEZNQCLSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccc(CC[NH2+]C[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000638576295 352406895 /nfs/dbraw/zinc/40/68/95/352406895.db2.gz XHRREMGNWZZNGL-AWEZNQCLSA-N 2 2 246.398 2.610 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353599267 352499731 /nfs/dbraw/zinc/49/97/31/352499731.db2.gz WSDDAIDXPMUIHB-AGIUHOORSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353599267 352499735 /nfs/dbraw/zinc/49/97/35/352499735.db2.gz WSDDAIDXPMUIHB-AGIUHOORSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000043326514 352637196 /nfs/dbraw/zinc/63/71/96/352637196.db2.gz DRBDFYIAQPFTLX-YPMHNXCESA-N 2 2 244.338 2.835 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000164454344 352773178 /nfs/dbraw/zinc/77/31/78/352773178.db2.gz CUGBGPPSJBUVMD-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000164454344 352773181 /nfs/dbraw/zinc/77/31/81/352773181.db2.gz CUGBGPPSJBUVMD-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccsc1 ZINC000334217391 352817820 /nfs/dbraw/zinc/81/78/20/352817820.db2.gz WPOZNPMZRMKYQH-MWLCHTKSSA-N 2 2 247.367 2.679 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccsc1 ZINC000334217391 352817822 /nfs/dbraw/zinc/81/78/22/352817822.db2.gz WPOZNPMZRMKYQH-MWLCHTKSSA-N 2 2 247.367 2.679 20 0 BFADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000334248426 352840494 /nfs/dbraw/zinc/84/04/94/352840494.db2.gz PWOJTCQIBBESPZ-JSGCOSHPSA-N 2 2 233.359 2.575 20 0 BFADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000334248426 352840495 /nfs/dbraw/zinc/84/04/95/352840495.db2.gz PWOJTCQIBBESPZ-JSGCOSHPSA-N 2 2 233.359 2.575 20 0 BFADLP Cn1c[nH+]cc1C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000334248423 352840656 /nfs/dbraw/zinc/84/06/56/352840656.db2.gz PWOJTCQIBBESPZ-GXTWGEPZSA-N 2 2 233.359 2.575 20 0 BFADLP Cn1c[nH+]cc1C[N@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC000334248423 352840658 /nfs/dbraw/zinc/84/06/58/352840658.db2.gz PWOJTCQIBBESPZ-GXTWGEPZSA-N 2 2 233.359 2.575 20 0 BFADLP c1cn(CC[N@@H+]2CCCC23CCCCC3)c[nH+]1 ZINC000334372741 353025634 /nfs/dbraw/zinc/02/56/34/353025634.db2.gz YXHBHVNIKMYOMI-UHFFFAOYSA-N 2 2 233.359 2.682 20 0 BFADLP c1cn(CC[N@H+]2CCCC23CCCCC3)c[nH+]1 ZINC000334372741 353025637 /nfs/dbraw/zinc/02/56/37/353025637.db2.gz YXHBHVNIKMYOMI-UHFFFAOYSA-N 2 2 233.359 2.682 20 0 BFADLP C[C@H](C[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000638864608 353038391 /nfs/dbraw/zinc/03/83/91/353038391.db2.gz ANPVHIQZJLMCMV-FVQBIDKESA-N 2 2 246.398 2.720 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H](C)c2ccon2)c[nH+]1 ZINC000354650230 188063253 /nfs/dbraw/zinc/06/32/53/188063253.db2.gz OOGFLTHFORBBJR-LBPRGKRZSA-N 2 2 245.326 2.661 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126808 188073531 /nfs/dbraw/zinc/07/35/31/188073531.db2.gz NCLHOAFWXSKDTJ-AWEZNQCLSA-N 2 2 232.371 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000377683382 188078807 /nfs/dbraw/zinc/07/88/07/188078807.db2.gz SJYHLDVHUKRQKK-ZDUSSCGKSA-N 2 2 249.402 2.991 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccco2)C[C@@H]1C ZINC000353752323 353194440 /nfs/dbraw/zinc/19/44/40/353194440.db2.gz SDQUTOPAHGKXFW-STQMWFEESA-N 2 2 236.359 2.584 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccco2)C[C@@H]1C ZINC000353752323 353194442 /nfs/dbraw/zinc/19/44/42/353194442.db2.gz SDQUTOPAHGKXFW-STQMWFEESA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccco2)C[C@@H]1C ZINC000353752323 353194444 /nfs/dbraw/zinc/19/44/44/353194444.db2.gz SDQUTOPAHGKXFW-STQMWFEESA-N 2 2 236.359 2.584 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccco2)C[C@@H]1C ZINC000353752323 353194446 /nfs/dbraw/zinc/19/44/46/353194446.db2.gz SDQUTOPAHGKXFW-STQMWFEESA-N 2 2 236.359 2.584 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000041064028 188118969 /nfs/dbraw/zinc/11/89/69/188118969.db2.gz MLQKAMCYWXWFKC-LLVKDONJSA-N 2 2 249.745 2.887 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]CC(C)(C)[NH+](C)C ZINC000300738489 188159751 /nfs/dbraw/zinc/15/97/51/188159751.db2.gz AMXYLUFXIUPMJS-GFCCVEGCSA-N 2 2 214.397 2.598 20 0 BFADLP CC(C)C[NH2+][C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000307438895 188178611 /nfs/dbraw/zinc/17/86/11/188178611.db2.gz MXIGBAYIMMNACB-AWEZNQCLSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)C[NH2+][C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000307438895 188178613 /nfs/dbraw/zinc/17/86/13/188178613.db2.gz MXIGBAYIMMNACB-AWEZNQCLSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)[C@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163801396 188215873 /nfs/dbraw/zinc/21/58/73/188215873.db2.gz NOYGGZUABCYLDF-LBPRGKRZSA-N 2 2 221.348 2.518 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000054110873 188219980 /nfs/dbraw/zinc/21/99/80/188219980.db2.gz KELRMGKRYKKABI-HNNXBMFYSA-N 2 2 248.414 2.938 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccccc1 ZINC000054110873 188219982 /nfs/dbraw/zinc/21/99/82/188219982.db2.gz KELRMGKRYKKABI-HNNXBMFYSA-N 2 2 248.414 2.938 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CCCCC2)C[N@@H+]1C1CC1 ZINC000122321829 324041080 /nfs/dbraw/zinc/04/10/80/324041080.db2.gz MODJJJSDJKKSFP-WCQYABFASA-N 2 2 222.376 2.534 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CCCCC2)C[N@H+]1C1CC1 ZINC000122321829 324041083 /nfs/dbraw/zinc/04/10/83/324041083.db2.gz MODJJJSDJKKSFP-WCQYABFASA-N 2 2 222.376 2.534 20 0 BFADLP CCCN(CC[NH+]1CCCC1)c1cccc(C)[nH+]1 ZINC000343268760 353284789 /nfs/dbraw/zinc/28/47/89/353284789.db2.gz WXMKVZXWYVCUDU-UHFFFAOYSA-N 2 2 247.386 2.702 20 0 BFADLP CC(C)(C)[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000094079064 188222718 /nfs/dbraw/zinc/22/27/18/188222718.db2.gz TYOILKZGDAVNJA-ZIAGYGMSSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C)C1CC1 ZINC000165306685 353294490 /nfs/dbraw/zinc/29/44/90/353294490.db2.gz JXIMPGZOKYHAGJ-AVGNSLFASA-N 2 2 224.392 2.637 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC000336777997 353508817 /nfs/dbraw/zinc/50/88/17/353508817.db2.gz KBPBUXPBFPEPOT-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C1CC(C)(C)C1 ZINC000336777997 353508820 /nfs/dbraw/zinc/50/88/20/353508820.db2.gz KBPBUXPBFPEPOT-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1c[nH+]c[nH]1 ZINC000077412174 353584285 /nfs/dbraw/zinc/58/42/85/353584285.db2.gz PWWRYAHEZMQVPD-AAEUAGOBSA-N 2 2 221.348 2.858 20 0 BFADLP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1C[NH3+] ZINC000220305583 353833563 /nfs/dbraw/zinc/83/35/63/353833563.db2.gz SFKHDGFLOHTLAR-ZDUSSCGKSA-N 2 2 238.762 2.572 20 0 BFADLP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1C[NH3+] ZINC000220305583 353833565 /nfs/dbraw/zinc/83/35/65/353833565.db2.gz SFKHDGFLOHTLAR-ZDUSSCGKSA-N 2 2 238.762 2.572 20 0 BFADLP CC[C@H]1CC[C@@H](C)[N@@H+]1CCCn1cc[nH+]c1 ZINC000343585501 353940582 /nfs/dbraw/zinc/94/05/82/353940582.db2.gz XYMCYHZNRNNJMM-OLZOCXBDSA-N 2 2 221.348 2.536 20 0 BFADLP CC[C@H]1CC[C@@H](C)[N@H+]1CCCn1cc[nH+]c1 ZINC000343585501 353940583 /nfs/dbraw/zinc/94/05/83/353940583.db2.gz XYMCYHZNRNNJMM-OLZOCXBDSA-N 2 2 221.348 2.536 20 0 BFADLP Cc1scc(C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000639167902 354042195 /nfs/dbraw/zinc/04/21/95/354042195.db2.gz MLWLTZKPTGWCOJ-UHFFFAOYSA-N 2 2 240.416 2.748 20 0 BFADLP Cc1scc(C[N@H+](C)CCC[NH+](C)C)c1C ZINC000639167902 354042196 /nfs/dbraw/zinc/04/21/96/354042196.db2.gz MLWLTZKPTGWCOJ-UHFFFAOYSA-N 2 2 240.416 2.748 20 0 BFADLP CC1(C[NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CC1 ZINC000344135374 354149954 /nfs/dbraw/zinc/14/99/54/354149954.db2.gz GEDAXFLMPHXHCA-UHFFFAOYSA-N 2 2 247.367 2.824 20 0 BFADLP CCC1CCC(C[NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000344225197 354182877 /nfs/dbraw/zinc/18/28/77/354182877.db2.gz SCMOZWIALZEAPC-URGYJCLVSA-N 2 2 238.419 2.743 20 0 BFADLP CCC1CCC(C[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000344225197 354182882 /nfs/dbraw/zinc/18/28/82/354182882.db2.gz SCMOZWIALZEAPC-URGYJCLVSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H]3CC3(C)C)n2c1 ZINC000344415191 354252535 /nfs/dbraw/zinc/25/25/35/354252535.db2.gz ZXJOMKOAOUIIPD-GFCCVEGCSA-N 2 2 243.354 2.778 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000344329477 354225578 /nfs/dbraw/zinc/22/55/78/354225578.db2.gz SEWCOGZXGZPRDI-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000344329477 354225582 /nfs/dbraw/zinc/22/55/82/354225582.db2.gz SEWCOGZXGZPRDI-HOCLYGCPSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000344329671 354226511 /nfs/dbraw/zinc/22/65/11/354226511.db2.gz NDQYQDQTUAEVFX-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccccc1C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000344329671 354226513 /nfs/dbraw/zinc/22/65/13/354226513.db2.gz NDQYQDQTUAEVFX-UKRRQHHQSA-N 2 2 232.371 2.567 20 0 BFADLP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccccc2)CCC[N@@H+]1C ZINC000344330766 354227273 /nfs/dbraw/zinc/22/72/73/354227273.db2.gz VSUIBEOVJCWNQD-YHOLHYGNSA-N 2 2 244.382 2.772 20 0 BFADLP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccccc2)CCC[N@H+]1C ZINC000344330766 354227277 /nfs/dbraw/zinc/22/72/77/354227277.db2.gz VSUIBEOVJCWNQD-YHOLHYGNSA-N 2 2 244.382 2.772 20 0 BFADLP Cc1cccn2c(C[NH2+]C[C@H]3CC3(C)C)c[nH+]c12 ZINC000344437325 354272406 /nfs/dbraw/zinc/27/24/06/354272406.db2.gz GOIIJLRHBUHZGH-GFCCVEGCSA-N 2 2 243.354 2.778 20 0 BFADLP CC(C)(C)C1CC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000334644702 354402942 /nfs/dbraw/zinc/40/29/42/354402942.db2.gz FSBJBMWEBWIHNZ-CXQJBGSLSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)(C)C1CC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000334644702 354402945 /nfs/dbraw/zinc/40/29/45/354402945.db2.gz FSBJBMWEBWIHNZ-CXQJBGSLSA-N 2 2 247.386 2.681 20 0 BFADLP Cc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)o1 ZINC000370121053 354771992 /nfs/dbraw/zinc/77/19/92/354771992.db2.gz JTYWLTCKKZYWLC-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP Cc1cc(NCCCC[NH3+])c2cccc(F)c2[nH+]1 ZINC000420228800 192180107 /nfs/dbraw/zinc/18/01/07/192180107.db2.gz FUBVLPHFIBDHGI-UHFFFAOYSA-N 2 2 247.317 2.833 20 0 BFADLP CCC1(C)CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000346302532 354890534 /nfs/dbraw/zinc/89/05/34/354890534.db2.gz DSNNNJDBMRLPIP-UHFFFAOYSA-N 2 2 235.375 2.704 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CCC2CC2)CC1 ZINC000346531414 354978162 /nfs/dbraw/zinc/97/81/62/354978162.db2.gz LYSBOGZOJRSLIF-CQSZACIVSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CCC2CC2)CC1 ZINC000346531414 354978163 /nfs/dbraw/zinc/97/81/63/354978163.db2.gz LYSBOGZOJRSLIF-CQSZACIVSA-N 2 2 236.403 2.807 20 0 BFADLP CC(C)(C)CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000113500315 355232884 /nfs/dbraw/zinc/23/28/84/355232884.db2.gz IRAVLRZNNUYJGZ-CQSZACIVSA-N 2 2 238.419 2.983 20 0 BFADLP CC(C)(C)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000113500315 355232885 /nfs/dbraw/zinc/23/28/85/355232885.db2.gz IRAVLRZNNUYJGZ-CQSZACIVSA-N 2 2 238.419 2.983 20 0 BFADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccoc1 ZINC000532204873 355880050 /nfs/dbraw/zinc/88/00/50/355880050.db2.gz UGUHQQLWMIVVLF-LBPRGKRZSA-N 2 2 248.370 2.947 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CCCC1(C)C)C1CC1 ZINC000167198830 355970104 /nfs/dbraw/zinc/97/01/04/355970104.db2.gz BZOJDTSODDMWIF-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CCCC1(C)C)C1CC1 ZINC000167198830 355970109 /nfs/dbraw/zinc/97/01/09/355970109.db2.gz BZOJDTSODDMWIF-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)n1C ZINC000639398860 356118073 /nfs/dbraw/zinc/11/80/73/356118073.db2.gz MAJPPEOBYIMLOT-LLVKDONJSA-N 2 2 237.391 2.843 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)C[C@@H](C)C(C)(C)C)n1C ZINC000639398860 356118079 /nfs/dbraw/zinc/11/80/79/356118079.db2.gz MAJPPEOBYIMLOT-LLVKDONJSA-N 2 2 237.391 2.843 20 0 BFADLP CCC[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000335919277 356166967 /nfs/dbraw/zinc/16/69/67/356166967.db2.gz VNVCKDNWAKNXAR-ZDUSSCGKSA-N 2 2 247.386 2.809 20 0 BFADLP CCC[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000335919277 356166969 /nfs/dbraw/zinc/16/69/69/356166969.db2.gz VNVCKDNWAKNXAR-ZDUSSCGKSA-N 2 2 247.386 2.809 20 0 BFADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1C[C@H](C)[NH3+] ZINC000420295647 192203715 /nfs/dbraw/zinc/20/37/15/192203715.db2.gz CJEHLYDHGJOTTL-IMJJTQAJSA-N 2 2 246.398 2.992 20 0 BFADLP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](C)[NH3+] ZINC000420295647 192203717 /nfs/dbraw/zinc/20/37/17/192203717.db2.gz CJEHLYDHGJOTTL-IMJJTQAJSA-N 2 2 246.398 2.992 20 0 BFADLP CCC[N@H+](Cc1cccc(CC)c1)[C@@H]1CC[NH2+]C1 ZINC000420302552 192206303 /nfs/dbraw/zinc/20/63/03/192206303.db2.gz WJMPIYWYQKKHQJ-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCC[N@@H+](Cc1cccc(CC)c1)[C@@H]1CC[NH2+]C1 ZINC000420302552 192206305 /nfs/dbraw/zinc/20/63/05/192206305.db2.gz WJMPIYWYQKKHQJ-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP [NH3+][C@@H]1CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420273032 192197497 /nfs/dbraw/zinc/19/74/97/192197497.db2.gz MZVPRJBFYLGUJG-HIFRSBDPSA-N 2 2 248.345 2.626 20 0 BFADLP [NH3+][C@@H]1CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000420273032 192197500 /nfs/dbraw/zinc/19/75/00/192197500.db2.gz MZVPRJBFYLGUJG-HIFRSBDPSA-N 2 2 248.345 2.626 20 0 BFADLP C[C@@](C[NH3+])([NH2+]Cc1cc2ccccc2o1)C1CC1 ZINC000420281735 192199306 /nfs/dbraw/zinc/19/93/06/192199306.db2.gz AIKAVJDHHLFQRZ-HNNXBMFYSA-N 2 2 244.338 2.650 20 0 BFADLP CCc1cccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000420313217 192212688 /nfs/dbraw/zinc/21/26/88/192212688.db2.gz ITJBMDKRDIZERZ-MRXNPFEDSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1cccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000420313217 192212690 /nfs/dbraw/zinc/21/26/90/192212690.db2.gz ITJBMDKRDIZERZ-MRXNPFEDSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@@H]2C)cc1C ZINC000420357830 192219365 /nfs/dbraw/zinc/21/93/65/192219365.db2.gz DTGJYKRAKMWVEQ-XNRPHZJLSA-N 2 2 246.398 2.780 20 0 BFADLP CCc1ccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)s1 ZINC000049235635 356390136 /nfs/dbraw/zinc/39/01/36/356390136.db2.gz WJSOOYJQBVZUSY-LLVKDONJSA-N 2 2 249.383 2.685 20 0 BFADLP C[C@H]([NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C)c1ccccc1 ZINC000420365741 192223224 /nfs/dbraw/zinc/22/32/24/192223224.db2.gz LLEKSGABRNGBMC-PWNZVWSESA-N 2 2 232.371 2.724 20 0 BFADLP C[C@H]([NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C)c1ccccc1 ZINC000420365744 192224522 /nfs/dbraw/zinc/22/45/22/192224522.db2.gz LLEKSGABRNGBMC-UKTARXLSSA-N 2 2 232.371 2.724 20 0 BFADLP Cc1ccc([C@H]([NH2+]CC[NH3+])c2ccccc2)cc1 ZINC000420365719 192224778 /nfs/dbraw/zinc/22/47/78/192224778.db2.gz FHIQKVHXEHUVFV-MRXNPFEDSA-N 2 2 240.350 2.633 20 0 BFADLP CC(C)[C@H]([NH2+]CC[NH3+])c1ccc(Cl)cc1F ZINC000420412709 192240391 /nfs/dbraw/zinc/24/03/91/192240391.db2.gz SOMPIQRAHOOLKE-LBPRGKRZSA-N 2 2 244.741 2.725 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420967454 192285105 /nfs/dbraw/zinc/28/51/05/192285105.db2.gz YUWIQQHIOWOREA-HNNXBMFYSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C2CCCC2)C1 ZINC000420967454 192285108 /nfs/dbraw/zinc/28/51/08/192285108.db2.gz YUWIQQHIOWOREA-HNNXBMFYSA-N 2 2 247.386 2.704 20 0 BFADLP CC1(C)CC[NH+](Cc2cccc3[nH+]ccn32)CC1 ZINC000342722200 535316380 /nfs/dbraw/zinc/31/63/80/535316380.db2.gz AJQWPLOVUGKYTG-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP Cc1cc(C)c(C[N@@H+](C)[C@H]2CCCOC2)c(C)[nH+]1 ZINC000639639857 356552359 /nfs/dbraw/zinc/55/23/59/356552359.db2.gz XHDYWXACKDIRNP-AWEZNQCLSA-N 2 2 248.370 2.618 20 0 BFADLP Cc1cc(C)c(C[N@H+](C)[C@H]2CCCOC2)c(C)[nH+]1 ZINC000639639857 356552364 /nfs/dbraw/zinc/55/23/64/356552364.db2.gz XHDYWXACKDIRNP-AWEZNQCLSA-N 2 2 248.370 2.618 20 0 BFADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421325204 192318476 /nfs/dbraw/zinc/31/84/76/192318476.db2.gz LAWVNAQSIANVIJ-ZDUSSCGKSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421325204 192318477 /nfs/dbraw/zinc/31/84/77/192318477.db2.gz LAWVNAQSIANVIJ-ZDUSSCGKSA-N 2 2 248.414 2.926 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC[NH2+]C2)c2ccccc21 ZINC000422942615 192511178 /nfs/dbraw/zinc/51/11/78/192511178.db2.gz JJTZSTZPAZTEPI-SWLSCSKDSA-N 2 2 244.382 2.751 20 0 BFADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000352297783 134139469 /nfs/dbraw/zinc/13/94/69/134139469.db2.gz OWUZIGKWFUKIAE-UMVBOHGHSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000352297783 134139470 /nfs/dbraw/zinc/13/94/70/134139470.db2.gz OWUZIGKWFUKIAE-UMVBOHGHSA-N 2 2 236.403 2.734 20 0 BFADLP CCC[C@@H](C)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000179902877 535326440 /nfs/dbraw/zinc/32/64/40/535326440.db2.gz JUPZPMQCWDWOHD-CYBMUJFWSA-N 2 2 235.375 2.956 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422951574 192525680 /nfs/dbraw/zinc/52/56/80/192525680.db2.gz ZBTRBRIAFULPIU-UTUOFQBUSA-N 2 2 238.400 2.929 20 0 BFADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000034428886 356701987 /nfs/dbraw/zinc/70/19/87/356701987.db2.gz IJUCWUCQONTEII-MRXNPFEDSA-N 2 2 240.350 2.763 20 0 BFADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000034428886 356701993 /nfs/dbraw/zinc/70/19/93/356701993.db2.gz IJUCWUCQONTEII-MRXNPFEDSA-N 2 2 240.350 2.763 20 0 BFADLP CC[C@@H]1CC[N@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450484036 202179463 /nfs/dbraw/zinc/17/94/63/202179463.db2.gz KBGHIMLBWQTHJH-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450484036 202179466 /nfs/dbraw/zinc/17/94/66/202179466.db2.gz KBGHIMLBWQTHJH-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@@H]1CC[NH+](C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450484036 202179469 /nfs/dbraw/zinc/17/94/69/202179469.db2.gz KBGHIMLBWQTHJH-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC[C@@H]1CC[NH+](C[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC000450484036 202179470 /nfs/dbraw/zinc/17/94/70/202179470.db2.gz KBGHIMLBWQTHJH-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CCc1ccc(C[N@@H+]2CCCC[C@H]2C[NH3+])s1 ZINC000019843330 356901597 /nfs/dbraw/zinc/90/15/97/356901597.db2.gz NCCPRVSLBISCTC-NSHDSACASA-N 2 2 238.400 2.624 20 0 BFADLP CCc1ccc(C[N@H+]2CCCC[C@H]2C[NH3+])s1 ZINC000019843330 356901598 /nfs/dbraw/zinc/90/15/98/356901598.db2.gz NCCPRVSLBISCTC-NSHDSACASA-N 2 2 238.400 2.624 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)[NH2+]CC[NH+]1CCCC1 ZINC000020126993 356998733 /nfs/dbraw/zinc/99/87/33/356998733.db2.gz WHJXXLDUXSORPA-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000423239861 192645187 /nfs/dbraw/zinc/64/51/87/192645187.db2.gz SRPFRBVWIGWMBF-QWHCGFSZSA-N 2 2 238.400 2.931 20 0 BFADLP CC(C)CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)C1CC1 ZINC000304269043 357161034 /nfs/dbraw/zinc/16/10/34/357161034.db2.gz CELACRIKLMSDDA-JSGCOSHPSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000583198339 357517295 /nfs/dbraw/zinc/51/72/95/357517295.db2.gz YKYUNFGFNZOLPW-LKTVYLICSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000583198344 357517398 /nfs/dbraw/zinc/51/73/98/357517398.db2.gz YKYUNFGFNZOLPW-WKPIXPDZSA-N 2 2 248.345 2.543 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2CCC3(CC3)CC2)n1C ZINC000583215162 357564964 /nfs/dbraw/zinc/56/49/64/357564964.db2.gz NBTPHGUINMRYSF-UHFFFAOYSA-N 2 2 233.359 2.541 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC12CCCC2)[N@H+](C)C1CC1 ZINC000189113962 357615675 /nfs/dbraw/zinc/61/56/75/357615675.db2.gz DRGGZMHQQAZERE-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC12CCCC2)[N@@H+](C)C1CC1 ZINC000189113962 357615679 /nfs/dbraw/zinc/61/56/79/357615679.db2.gz DRGGZMHQQAZERE-OCCSQVGLSA-N 2 2 236.403 2.782 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000233484127 357725865 /nfs/dbraw/zinc/72/58/65/357725865.db2.gz OQWNJZABINHQEA-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000233484127 357725867 /nfs/dbraw/zinc/72/58/67/357725867.db2.gz OQWNJZABINHQEA-BFHYXJOUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H](C[NH2+]C[C@H](C)[NH+](C)C)c1ccccc1 ZINC000232754262 357681243 /nfs/dbraw/zinc/68/12/43/357681243.db2.gz TYACJYFFJKPZBK-HOCLYGCPSA-N 2 2 248.414 2.966 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000235290013 357852541 /nfs/dbraw/zinc/85/25/41/357852541.db2.gz BBAPTYKXBVACCK-OLZOCXBDSA-N 2 2 238.419 2.885 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]C1CC3(CCC3)C1)CCCC2 ZINC000583308052 357890971 /nfs/dbraw/zinc/89/09/71/357890971.db2.gz CAOWVZNLUDLDLJ-UHFFFAOYSA-N 2 2 245.370 2.642 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]CC[NH+]2CCCC2)C1 ZINC000235666394 357927300 /nfs/dbraw/zinc/92/73/00/357927300.db2.gz UGKZIUHYEJAHTM-HIFRSBDPSA-N 2 2 236.403 2.664 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[NH+](C)C)c1ccc(C)cc1 ZINC000168756855 134248028 /nfs/dbraw/zinc/24/80/28/134248028.db2.gz SBKRKGRTLIPMSR-ZFWWWQNUSA-N 2 2 234.387 2.986 20 0 BFADLP C[C@H](C[NH2+]C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000218820774 134265326 /nfs/dbraw/zinc/26/53/26/134265326.db2.gz WPAIYBKLCZQGSY-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+]C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000218820774 134265327 /nfs/dbraw/zinc/26/53/27/134265327.db2.gz WPAIYBKLCZQGSY-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[C@H]([NH2+]CCn1cc[nH+]c1)C1CC1 ZINC000310260431 358443363 /nfs/dbraw/zinc/44/33/63/358443363.db2.gz CMBXRNAEBMHZCH-AWEZNQCLSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1 ZINC000044684143 358550817 /nfs/dbraw/zinc/55/08/17/358550817.db2.gz HLJOPRLJNYCZNB-GDBMZVCRSA-N 2 2 244.382 2.964 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1 ZINC000044684143 358550820 /nfs/dbraw/zinc/55/08/20/358550820.db2.gz HLJOPRLJNYCZNB-GDBMZVCRSA-N 2 2 244.382 2.964 20 0 BFADLP CCC1CCC([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000044683927 358551363 /nfs/dbraw/zinc/55/13/63/358551363.db2.gz FCOJUZAUCFCZEI-JXQTWKCFSA-N 2 2 236.403 2.782 20 0 BFADLP CCC1CCC([NH2+][C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000044683927 358551365 /nfs/dbraw/zinc/55/13/65/358551365.db2.gz FCOJUZAUCFCZEI-JXQTWKCFSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)cc1C ZINC000044686895 358551814 /nfs/dbraw/zinc/55/18/14/358551814.db2.gz LTEWARPQBIZDRO-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)cc1C ZINC000044686895 358551816 /nfs/dbraw/zinc/55/18/16/358551816.db2.gz LTEWARPQBIZDRO-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC1CCC1 ZINC000132138083 491134937 /nfs/dbraw/zinc/13/49/37/491134937.db2.gz OCKFOWURKPXOAV-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CC1CCC1 ZINC000132138083 491134938 /nfs/dbraw/zinc/13/49/38/491134938.db2.gz OCKFOWURKPXOAV-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]CC[NH+]1CCCCC1 ZINC000132326990 491135432 /nfs/dbraw/zinc/13/54/32/491135432.db2.gz WKYUTRADUCTJHS-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP c1cn(CCC[NH2+]CCC2CCCCC2)c[nH+]1 ZINC000049327999 358682630 /nfs/dbraw/zinc/68/26/30/358682630.db2.gz KFZDZRZVDCGRKI-UHFFFAOYSA-N 2 2 235.375 2.833 20 0 BFADLP c1cn(CC[N@@H+]2CCC3(C2)CCCCC3)c[nH+]1 ZINC000131710996 358691315 /nfs/dbraw/zinc/69/13/15/358691315.db2.gz LFJUCPXUVSESST-UHFFFAOYSA-N 2 2 233.359 2.539 20 0 BFADLP c1cn(CC[N@H+]2CCC3(C2)CCCCC3)c[nH+]1 ZINC000131710996 358691320 /nfs/dbraw/zinc/69/13/20/358691320.db2.gz LFJUCPXUVSESST-UHFFFAOYSA-N 2 2 233.359 2.539 20 0 BFADLP CC(C)CCC[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000053343780 358825368 /nfs/dbraw/zinc/82/53/68/358825368.db2.gz XUEVFRZSTNMMRF-CQSZACIVSA-N 2 2 226.408 2.744 20 0 BFADLP CC(C)CCC[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000053343780 358825370 /nfs/dbraw/zinc/82/53/70/358825370.db2.gz XUEVFRZSTNMMRF-CQSZACIVSA-N 2 2 226.408 2.744 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1sccc1C ZINC000423306696 192694710 /nfs/dbraw/zinc/69/47/10/192694710.db2.gz FPELDXGQJJLPAX-NSHDSACASA-N 2 2 226.389 2.707 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000053485729 358829744 /nfs/dbraw/zinc/82/97/44/358829744.db2.gz SBKJKFHISDJGAS-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1[nH+]ccn1CCCC[N@@H+]1OC2CCC1CC2 ZINC000640230869 358944258 /nfs/dbraw/zinc/94/42/58/358944258.db2.gz VCUGRCDYMOANDL-UHFFFAOYSA-N 2 2 249.358 2.530 20 0 BFADLP Cc1[nH+]ccn1CCCC[N@H+]1OC2CCC1CC2 ZINC000640230869 358944259 /nfs/dbraw/zinc/94/42/59/358944259.db2.gz VCUGRCDYMOANDL-UHFFFAOYSA-N 2 2 249.358 2.530 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246931184 359194881 /nfs/dbraw/zinc/19/48/81/359194881.db2.gz YWOILYAFTROBOP-LSDHHAIUSA-N 2 2 236.403 2.664 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000246931184 359194884 /nfs/dbraw/zinc/19/48/84/359194884.db2.gz YWOILYAFTROBOP-LSDHHAIUSA-N 2 2 236.403 2.664 20 0 BFADLP CC(C)CC[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247779680 359244855 /nfs/dbraw/zinc/24/48/55/359244855.db2.gz XJGWRWORZMGGAE-ZIAGYGMSSA-N 2 2 235.375 2.812 20 0 BFADLP CC(C)CC[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247779680 359244857 /nfs/dbraw/zinc/24/48/57/359244857.db2.gz XJGWRWORZMGGAE-ZIAGYGMSSA-N 2 2 235.375 2.812 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cc(Cl)cc(Cl)c1 ZINC000423361456 192731481 /nfs/dbraw/zinc/73/14/81/192731481.db2.gz GVRJTCSRRCDSAO-JGVFFNPUSA-N 2 2 247.169 2.991 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2ccco2)C[C@H]1n1cc[nH+]c1 ZINC000247269825 359207391 /nfs/dbraw/zinc/20/73/91/359207391.db2.gz YBAFJDQYUXMOON-TZMCWYRMSA-N 2 2 245.326 2.559 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccs1 ZINC000423546475 192809813 /nfs/dbraw/zinc/80/98/13/192809813.db2.gz FHSOQHJJAJEFAY-NWDGAFQWSA-N 2 2 238.400 2.931 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)o1 ZINC000423548526 192810400 /nfs/dbraw/zinc/81/04/00/192810400.db2.gz GQXWKGDYCSIDAB-RYUDHWBXSA-N 2 2 236.359 2.635 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C[N@@H+]1C1CC1 ZINC000379590615 359556483 /nfs/dbraw/zinc/55/64/83/359556483.db2.gz VDRMRVNLIUCKPJ-GXTWGEPZSA-N 2 2 234.387 2.702 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C[N@H+]1C1CC1 ZINC000379590615 359556487 /nfs/dbraw/zinc/55/64/87/359556487.db2.gz VDRMRVNLIUCKPJ-GXTWGEPZSA-N 2 2 234.387 2.702 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC000083375670 359791080 /nfs/dbraw/zinc/79/10/80/359791080.db2.gz CRCSDXUOZGKTFV-OAHLLOKOSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1C ZINC000083375670 359791086 /nfs/dbraw/zinc/79/10/86/359791086.db2.gz CRCSDXUOZGKTFV-OAHLLOKOSA-N 2 2 246.398 2.877 20 0 BFADLP c1cn(CCCC[NH2+]C2CCC3(CC3)CC2)c[nH+]1 ZINC000578765911 366643892 /nfs/dbraw/zinc/64/38/92/366643892.db2.gz SDFIBZQFZMXTDZ-UHFFFAOYSA-N 2 2 247.386 2.976 20 0 BFADLP CC(C)=CC[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003793 360052394 /nfs/dbraw/zinc/05/23/94/360052394.db2.gz VWWAKNUDPHWTDB-AWEZNQCLSA-N 2 2 247.386 2.641 20 0 BFADLP CC(C)=CC[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000090003793 360052396 /nfs/dbraw/zinc/05/23/96/360052396.db2.gz VWWAKNUDPHWTDB-AWEZNQCLSA-N 2 2 247.386 2.641 20 0 BFADLP CCCCC[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004122 360052691 /nfs/dbraw/zinc/05/26/91/360052691.db2.gz ZXIZADHIADCWSD-CQSZACIVSA-N 2 2 249.402 2.865 20 0 BFADLP CCCCC[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004122 360052695 /nfs/dbraw/zinc/05/26/95/360052695.db2.gz ZXIZADHIADCWSD-CQSZACIVSA-N 2 2 249.402 2.865 20 0 BFADLP CC[C@@H](C)C[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000093064950 360213638 /nfs/dbraw/zinc/21/36/38/360213638.db2.gz RCVKSPBKACIXHB-CQSZACIVSA-N 2 2 234.387 2.754 20 0 BFADLP CC[C@@H](C)C[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000093064950 360213642 /nfs/dbraw/zinc/21/36/42/360213642.db2.gz RCVKSPBKACIXHB-CQSZACIVSA-N 2 2 234.387 2.754 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000094275313 360301616 /nfs/dbraw/zinc/30/16/16/360301616.db2.gz JTCAEXPVRRVLSX-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP C1=CC[C@H](C[N@@H+]2CCC[NH+]3CCC[C@H]3C2)CC1 ZINC000094449361 360308327 /nfs/dbraw/zinc/30/83/27/360308327.db2.gz FEEDUIPBVHYYSM-GJZGRUSLSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@H](C[N@H+]2CCC[NH+]3CCC[C@H]3C2)CC1 ZINC000094449361 360308330 /nfs/dbraw/zinc/30/83/30/360308330.db2.gz FEEDUIPBVHYYSM-GJZGRUSLSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@H](C[NH+]2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000094449361 360308334 /nfs/dbraw/zinc/30/83/34/360308334.db2.gz FEEDUIPBVHYYSM-GJZGRUSLSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@H](C[NH+]2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000094449361 360308339 /nfs/dbraw/zinc/30/83/39/360308339.db2.gz FEEDUIPBVHYYSM-GJZGRUSLSA-N 2 2 234.387 2.513 20 0 BFADLP c1cn(CC[NH2+]Cc2cccc(C3CC3)c2)c[nH+]1 ZINC000094519353 360309913 /nfs/dbraw/zinc/30/99/13/360309913.db2.gz HZRDKKWXLDNVAH-UHFFFAOYSA-N 2 2 241.338 2.550 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)[C@H](C)C1 ZINC000097929266 360383581 /nfs/dbraw/zinc/38/35/81/360383581.db2.gz NRUCPXGMVHELQQ-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1([NH+](C)C)CCC1 ZINC000097929064 360384027 /nfs/dbraw/zinc/38/40/27/360384027.db2.gz WYURSYRPZSQRKH-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)(F)C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000631190620 360543546 /nfs/dbraw/zinc/54/35/46/360543546.db2.gz KWLRTJBKVVESMB-UHFFFAOYSA-N 2 2 247.317 2.710 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000309592651 491152718 /nfs/dbraw/zinc/15/27/18/491152718.db2.gz VGAKOIWOHYYEQZ-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000309592651 491152719 /nfs/dbraw/zinc/15/27/19/491152719.db2.gz VGAKOIWOHYYEQZ-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(C)sc1C ZINC000629390083 361038047 /nfs/dbraw/zinc/03/80/47/361038047.db2.gz IZOQLMSWQRAVIT-QWHCGFSZSA-N 2 2 238.400 2.595 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3o2)C[NH2+]1 ZINC000629394845 361043121 /nfs/dbraw/zinc/04/31/21/361043121.db2.gz MONUQQQAFPUMFF-DGCLKSJQSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000629395328 361043301 /nfs/dbraw/zinc/04/33/01/361043301.db2.gz PGEYOVSXUQVGLD-HIFRSBDPSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(C)s1 ZINC000629395469 361043589 /nfs/dbraw/zinc/04/35/89/361043589.db2.gz CZNKMXJEDVJGSD-TVQRCGJNSA-N 2 2 238.400 2.595 20 0 BFADLP CCc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2CC)s1 ZINC000629390623 361043989 /nfs/dbraw/zinc/04/39/89/361043989.db2.gz VFQKWJKFGIZTNB-QWHCGFSZSA-N 2 2 238.400 2.541 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc(C)cc1C ZINC000629391179 361045989 /nfs/dbraw/zinc/04/59/89/361045989.db2.gz XVTPLXSOGSDFJQ-LSDHHAIUSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000629405712 361054084 /nfs/dbraw/zinc/05/40/84/361054084.db2.gz DXDPSKWDYHIILP-BLLLJJGKSA-N 2 2 240.350 2.680 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C[NH2+]1 ZINC000629415419 361062223 /nfs/dbraw/zinc/06/22/23/361062223.db2.gz QDUCYEKQSFEGBL-MLGOLLRUSA-N 2 2 244.382 2.794 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000629527623 361134176 /nfs/dbraw/zinc/13/41/76/361134176.db2.gz ALKMBYAIERKRJN-CAPXZKIUSA-N 2 2 244.382 2.965 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1csc(C)c1 ZINC000629527984 361135147 /nfs/dbraw/zinc/13/51/47/361135147.db2.gz LJCDXYCTTXXLCL-KGYLQXTDSA-N 2 2 238.400 2.848 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccc(C(C)C)cc1 ZINC000041056028 361215164 /nfs/dbraw/zinc/21/51/64/361215164.db2.gz HYSUVJHCLZNCQB-UHFFFAOYSA-N 2 2 220.360 2.591 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccc(C(C)C)cc1 ZINC000041056028 361215168 /nfs/dbraw/zinc/21/51/68/361215168.db2.gz HYSUVJHCLZNCQB-UHFFFAOYSA-N 2 2 220.360 2.591 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)C ZINC000429059794 201065072 /nfs/dbraw/zinc/06/50/72/201065072.db2.gz KITNJPFJJDWIHG-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)C ZINC000429059794 201065075 /nfs/dbraw/zinc/06/50/75/201065075.db2.gz KITNJPFJJDWIHG-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)C ZINC000429059794 201065078 /nfs/dbraw/zinc/06/50/78/201065078.db2.gz KITNJPFJJDWIHG-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C ZINC000429059794 201065080 /nfs/dbraw/zinc/06/50/80/201065080.db2.gz KITNJPFJJDWIHG-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(F)cc32)C[NH2+]1 ZINC000629538341 361402649 /nfs/dbraw/zinc/40/26/49/361402649.db2.gz LCTFNDAVZOUGMG-RIEGTJTDSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c2ccccc21 ZINC000629540993 361415583 /nfs/dbraw/zinc/41/55/83/361415583.db2.gz QJJYGZLCVRAYLH-NFFDBFGFSA-N 2 2 244.382 2.965 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540859 361415701 /nfs/dbraw/zinc/41/57/01/361415701.db2.gz YDRUBJYQMSKYJK-IOASZLSFSA-N 2 2 244.382 2.712 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629543968 361413150 /nfs/dbraw/zinc/41/31/50/361413150.db2.gz HGBOWOVFCZDHEC-OSRDXIQISA-N 2 2 244.382 2.883 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000629544310 361422218 /nfs/dbraw/zinc/42/22/18/361422218.db2.gz JHIYZNICYZVOJO-VQISRLSMSA-N 2 2 248.345 2.617 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+][C@H]2C)c2ccccc21 ZINC000629544810 361424267 /nfs/dbraw/zinc/42/42/67/361424267.db2.gz JNOSXSUXGSXQPC-BVIHXZOGSA-N 2 2 230.355 2.575 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cc2ccccc2o1 ZINC000629544756 361424925 /nfs/dbraw/zinc/42/49/25/361424925.db2.gz CHQADWPMVVCEKH-DMDPSCGWSA-N 2 2 244.338 2.834 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(F)c1 ZINC000629544786 361424974 /nfs/dbraw/zinc/42/49/74/361424974.db2.gz MMEJTMYTOXPYNN-ZLKJLUDKSA-N 2 2 236.334 2.617 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000629545951 361426550 /nfs/dbraw/zinc/42/65/50/361426550.db2.gz TYUCZVFIBQKGEZ-VQISRLSMSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc(Cl)cc1 ZINC000629546213 361428181 /nfs/dbraw/zinc/42/81/81/361428181.db2.gz QJKTXZMGQRPSNP-GBIKHYSHSA-N 2 2 238.762 2.741 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000629547114 361430525 /nfs/dbraw/zinc/43/05/25/361430525.db2.gz GNYYXVPZEGGKDW-NWANDNLSSA-N 2 2 232.371 2.724 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000629549670 361441555 /nfs/dbraw/zinc/44/15/55/361441555.db2.gz YCBQCXCCUVGTLW-UHTWSYAYSA-N 2 2 248.370 2.633 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000629549475 361441981 /nfs/dbraw/zinc/44/19/81/361441981.db2.gz WLLBKBWHPJWNBV-KOZAUXTDSA-N 2 2 244.382 2.965 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1cccnc1 ZINC000629541855 361417855 /nfs/dbraw/zinc/41/78/55/361417855.db2.gz XJUIEENTPZOCDK-YUELXQCFSA-N 2 2 247.386 2.509 20 0 BFADLP CNc1ccc([NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000629654992 361558421 /nfs/dbraw/zinc/55/84/21/361558421.db2.gz VJGPUHTYEMIHCH-UHFFFAOYSA-N 2 2 233.359 2.658 20 0 BFADLP C[NH2+]c1ccc(NC2CCC(C[NH3+])CC2)cc1 ZINC000629654992 361558425 /nfs/dbraw/zinc/55/84/25/361558425.db2.gz VJGPUHTYEMIHCH-UHFFFAOYSA-N 2 2 233.359 2.658 20 0 BFADLP CCCc1cccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629660823 361565242 /nfs/dbraw/zinc/56/52/42/361565242.db2.gz ZVHGAAVBRNPQIX-CZUORRHYSA-N 2 2 246.398 2.869 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629649825 361546315 /nfs/dbraw/zinc/54/63/15/361546315.db2.gz HSIOUIFJDMTYKG-TUAOUCFPSA-N 2 2 248.361 2.583 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000629649825 361546321 /nfs/dbraw/zinc/54/63/21/361546321.db2.gz HSIOUIFJDMTYKG-TUAOUCFPSA-N 2 2 248.361 2.583 20 0 BFADLP C[NH2+]c1ccc(N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000629653698 361553232 /nfs/dbraw/zinc/55/32/32/361553232.db2.gz MGCWMNQZGPHZCX-LALPHHSUSA-N 2 2 245.370 2.528 20 0 BFADLP C([NH2+]C1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434797697 201241323 /nfs/dbraw/zinc/24/13/23/201241323.db2.gz ZEKLZDNSAVCFTB-HNNXBMFYSA-N 2 2 236.403 2.926 20 0 BFADLP C([NH2+]C1CCCCC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434797697 201241324 /nfs/dbraw/zinc/24/13/24/201241324.db2.gz ZEKLZDNSAVCFTB-HNNXBMFYSA-N 2 2 236.403 2.926 20 0 BFADLP CC(C)(C)C[C@H]1CC[N@H+](CCn2cc[nH+]c2)C1 ZINC000448554655 201256498 /nfs/dbraw/zinc/25/64/98/201256498.db2.gz MHVKKDBODZZORA-CYBMUJFWSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)(C)C[C@H]1CC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000448554655 201256500 /nfs/dbraw/zinc/25/65/00/201256500.db2.gz MHVKKDBODZZORA-CYBMUJFWSA-N 2 2 235.375 2.641 20 0 BFADLP C[NH2+][C@H]1CC[N@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000435369373 201265085 /nfs/dbraw/zinc/26/50/85/201265085.db2.gz DZWGOOMGOHIIEX-INIZCTEOSA-N 2 2 246.398 2.646 20 0 BFADLP C[NH2+][C@H]1CC[N@@H+](CCc2ccc(C(C)C)cc2)C1 ZINC000435369373 201265089 /nfs/dbraw/zinc/26/50/89/201265089.db2.gz DZWGOOMGOHIIEX-INIZCTEOSA-N 2 2 246.398 2.646 20 0 BFADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000435390069 201268341 /nfs/dbraw/zinc/26/83/41/201268341.db2.gz QIOXEVMAMKSMNZ-GFCCVEGCSA-N 2 2 244.338 2.726 20 0 BFADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(-c2ccccc2)o1 ZINC000435390069 201268344 /nfs/dbraw/zinc/26/83/44/201268344.db2.gz QIOXEVMAMKSMNZ-GFCCVEGCSA-N 2 2 244.338 2.726 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154523900 201281000 /nfs/dbraw/zinc/28/10/00/201281000.db2.gz IPDREJLNBUILEF-BBRMVZONSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154523900 201281005 /nfs/dbraw/zinc/28/10/05/201281005.db2.gz IPDREJLNBUILEF-BBRMVZONSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cc1 ZINC000154523996 201281542 /nfs/dbraw/zinc/28/15/42/201281542.db2.gz IPDREJLNBUILEF-CZUORRHYSA-N 2 2 246.398 2.994 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1 ZINC000154523996 201281545 /nfs/dbraw/zinc/28/15/45/201281545.db2.gz IPDREJLNBUILEF-CZUORRHYSA-N 2 2 246.398 2.994 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccs1 ZINC000154562976 201284500 /nfs/dbraw/zinc/28/45/00/201284500.db2.gz BOBMFRWRBUGQHI-RYUDHWBXSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccs1 ZINC000154562976 201284502 /nfs/dbraw/zinc/28/45/02/201284502.db2.gz BOBMFRWRBUGQHI-RYUDHWBXSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154602513 201285855 /nfs/dbraw/zinc/28/58/55/201285855.db2.gz CXHMZXGOFLUAIZ-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154602513 201285857 /nfs/dbraw/zinc/28/58/57/201285857.db2.gz CXHMZXGOFLUAIZ-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H]3CC[C@H](C)C3)c[nH+]c12 ZINC000436403739 201324592 /nfs/dbraw/zinc/32/45/92/201324592.db2.gz BNHXTWQFQNNIJR-AAEUAGOBSA-N 2 2 243.354 2.921 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000381545681 541354730 /nfs/dbraw/zinc/35/47/30/541354730.db2.gz KEHSOXLUJQNBQO-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000381545681 541354733 /nfs/dbraw/zinc/35/47/33/541354733.db2.gz KEHSOXLUJQNBQO-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000084329168 541360214 /nfs/dbraw/zinc/36/02/14/541360214.db2.gz YQXGXXJGYVKJIW-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC000084329168 541360220 /nfs/dbraw/zinc/36/02/20/541360220.db2.gz YQXGXXJGYVKJIW-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2)C[NH2+]1 ZINC000399041069 364749483 /nfs/dbraw/zinc/74/94/83/364749483.db2.gz QDJXVNSSMJWUPB-GWCFXTLKSA-N 2 2 238.762 2.570 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)s1 ZINC000399001959 364692406 /nfs/dbraw/zinc/69/24/06/364692406.db2.gz SXICGEBQVUCODR-ADEWGFFLSA-N 2 2 238.400 2.848 20 0 BFADLP Cc1c[nH+]ccc1NCCCNc1cccc[nH+]1 ZINC000191979109 364909264 /nfs/dbraw/zinc/90/92/64/364909264.db2.gz MOUNKYFCQCULJN-UHFFFAOYSA-N 2 2 242.326 2.699 20 0 BFADLP CC1(C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CCC1 ZINC000434791529 541391484 /nfs/dbraw/zinc/39/14/84/541391484.db2.gz DFCMNRNPTLLDJR-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CCC1 ZINC000434791529 541391489 /nfs/dbraw/zinc/39/14/89/541391489.db2.gz DFCMNRNPTLLDJR-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@@H+](C)C3)c1 ZINC000573880602 364937281 /nfs/dbraw/zinc/93/72/81/364937281.db2.gz BPDQUPGHWALUIM-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[NH+]2[C@@H]3CC[C@H]2CC[N@H+](C)C3)c1 ZINC000573880602 364937284 /nfs/dbraw/zinc/93/72/84/364937284.db2.gz BPDQUPGHWALUIM-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000573880602 364937287 /nfs/dbraw/zinc/93/72/87/364937287.db2.gz BPDQUPGHWALUIM-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC[NH+](C)C3)c1 ZINC000573880602 364937291 /nfs/dbraw/zinc/93/72/91/364937291.db2.gz BPDQUPGHWALUIM-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1cccc(CC[C@H](C)[NH2+][C@@H](C)C[NH+](C)C)c1 ZINC000168773805 365005672 /nfs/dbraw/zinc/00/56/72/365005672.db2.gz GKGCMRXBMVMJBP-GJZGRUSLSA-N 2 2 248.414 2.856 20 0 BFADLP Cc1ccccc1[C@H]([C@H](C)[NH2+]C(C)C)[NH+](C)C ZINC000443206407 193015107 /nfs/dbraw/zinc/01/51/07/193015107.db2.gz GNBWXAXGIWNXLR-ZFWWWQNUSA-N 2 2 234.387 2.984 20 0 BFADLP C[C@H](C[NH2+]C1CCC(C)CC1)Cn1cc[nH+]c1 ZINC000174318170 365480977 /nfs/dbraw/zinc/48/09/77/365480977.db2.gz JQJNDQBOUDNZMI-ROKHWSDSSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182795796 366942610 /nfs/dbraw/zinc/94/26/10/366942610.db2.gz WORKRQVTEVJVSR-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182795796 366942614 /nfs/dbraw/zinc/94/26/14/366942614.db2.gz WORKRQVTEVJVSR-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H](C1CC1)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182681579 366930961 /nfs/dbraw/zinc/93/09/61/366930961.db2.gz BPAHKYCVPXFRFH-LBPRGKRZSA-N 2 2 233.359 2.536 20 0 BFADLP C[C@@H](C1CC1)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182681579 366930966 /nfs/dbraw/zinc/93/09/66/366930966.db2.gz BPAHKYCVPXFRFH-LBPRGKRZSA-N 2 2 233.359 2.536 20 0 BFADLP C[C@H](C[NH2+]C[C@H]1CCCC[C@H]1C)Cn1cc[nH+]c1 ZINC000183565825 367030554 /nfs/dbraw/zinc/03/05/54/367030554.db2.gz WHLWBOVAIGDWCQ-RBSFLKMASA-N 2 2 249.402 2.935 20 0 BFADLP C[C@H](C[NH2+]C[C@H]1CCCC[C@@H]1C)Cn1cc[nH+]c1 ZINC000183565844 367030759 /nfs/dbraw/zinc/03/07/59/367030759.db2.gz WHLWBOVAIGDWCQ-QLFBSQMISA-N 2 2 249.402 2.935 20 0 BFADLP C[C@H]([NH2+]Cc1cc2ccccc2o1)[C@H]1CCC[NH2+]1 ZINC000580946145 367212663 /nfs/dbraw/zinc/21/26/63/367212663.db2.gz AQHNEWQIUVRKLF-SMDDNHRTSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000399150884 367658791 /nfs/dbraw/zinc/65/87/91/367658791.db2.gz ZDBIYRRQIITRDG-YDHLFZDLSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]C1CCCC1 ZINC000581678425 367707849 /nfs/dbraw/zinc/70/78/49/367707849.db2.gz NYUUEUCNTHEWDD-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000384039873 367669163 /nfs/dbraw/zinc/66/91/63/367669163.db2.gz MPNPQBMMCJJNHE-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cn(Cc2ccc(C)[nH+]c2C)c(C)[nH+]1 ZINC000631014018 370888506 /nfs/dbraw/zinc/88/85/06/370888506.db2.gz NJARLXSTZGGVCJ-UHFFFAOYSA-N 2 2 215.300 2.560 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000385103450 367791446 /nfs/dbraw/zinc/79/14/46/367791446.db2.gz IAQHJKRHKYFYCB-RYUDHWBXSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000385103450 367791449 /nfs/dbraw/zinc/79/14/49/367791449.db2.gz IAQHJKRHKYFYCB-RYUDHWBXSA-N 2 2 226.408 2.883 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000385260380 367815357 /nfs/dbraw/zinc/81/53/57/367815357.db2.gz WZGZLMOLLVECDY-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000385260380 367815362 /nfs/dbraw/zinc/81/53/62/367815362.db2.gz WZGZLMOLLVECDY-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)[C@H]1C ZINC000386217696 367931980 /nfs/dbraw/zinc/93/19/80/367931980.db2.gz HXDZPYBSUZZYEU-KNPMLCFXSA-N 2 2 244.382 2.508 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)[C@@H]1C ZINC000386217697 367932558 /nfs/dbraw/zinc/93/25/58/367932558.db2.gz HXDZPYBSUZZYEU-MPTQWLOMSA-N 2 2 244.382 2.508 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCCC3)C[N@@H+]1C1CC1 ZINC000387227582 368117400 /nfs/dbraw/zinc/11/74/00/368117400.db2.gz HYZYXGLBIFRSPG-MBNYWOFBSA-N 2 2 234.387 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CCCC3)C[N@H+]1C1CC1 ZINC000387227582 368117402 /nfs/dbraw/zinc/11/74/02/368117402.db2.gz HYZYXGLBIFRSPG-MBNYWOFBSA-N 2 2 234.387 2.534 20 0 BFADLP CCc1cccc(Cl)c1C[N@H+](C)CCC[NH3+] ZINC000582002850 368123509 /nfs/dbraw/zinc/12/35/09/368123509.db2.gz IPGVARCCGIFPBH-UHFFFAOYSA-N 2 2 240.778 2.683 20 0 BFADLP CCc1cccc(Cl)c1C[N@@H+](C)CCC[NH3+] ZINC000582002850 368123513 /nfs/dbraw/zinc/12/35/13/368123513.db2.gz IPGVARCCGIFPBH-UHFFFAOYSA-N 2 2 240.778 2.683 20 0 BFADLP CC[C@H](CC(F)F)C[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834834 369040962 /nfs/dbraw/zinc/04/09/62/369040962.db2.gz GRUNDTWCSFJFLQ-VXGBXAGGSA-N 2 2 248.361 2.871 20 0 BFADLP CC[C@H](CC(F)F)C[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631834834 369040967 /nfs/dbraw/zinc/04/09/67/369040967.db2.gz GRUNDTWCSFJFLQ-VXGBXAGGSA-N 2 2 248.361 2.871 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000459331060 203257593 /nfs/dbraw/zinc/25/75/93/203257593.db2.gz UVMWSVQWNFDESG-ZDUSSCGKSA-N 2 2 249.402 2.863 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]1CC(C)(C)C ZINC000459331060 203257595 /nfs/dbraw/zinc/25/75/95/203257595.db2.gz UVMWSVQWNFDESG-ZDUSSCGKSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@@H](C)[C@@H](C)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459335787 203259877 /nfs/dbraw/zinc/25/98/77/203259877.db2.gz IQMONCRLDDMBTP-CHWSQXEVSA-N 2 2 249.402 2.862 20 0 BFADLP CC[C@@H](C)[C@@H](C)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459335787 203259881 /nfs/dbraw/zinc/25/98/81/203259881.db2.gz IQMONCRLDDMBTP-CHWSQXEVSA-N 2 2 249.402 2.862 20 0 BFADLP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459343929 203260032 /nfs/dbraw/zinc/26/00/32/203260032.db2.gz QWRJKIXCZWUDKG-UKRRQHHQSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459343929 203260035 /nfs/dbraw/zinc/26/00/35/203260035.db2.gz QWRJKIXCZWUDKG-UKRRQHHQSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@H](C)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459339834 203261322 /nfs/dbraw/zinc/26/13/22/203261322.db2.gz ASTNMYLGAYDKLE-DZGCQCFKSA-N 2 2 249.402 2.863 20 0 BFADLP CCC[C@H](C)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459339834 203261325 /nfs/dbraw/zinc/26/13/25/203261325.db2.gz ASTNMYLGAYDKLE-DZGCQCFKSA-N 2 2 249.402 2.863 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459483264 203290789 /nfs/dbraw/zinc/29/07/89/203290789.db2.gz YUDKUKXHVBUKEU-ROKHWSDSSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]C2CC(C(C)(C)C)C2)C1 ZINC000459483264 203290793 /nfs/dbraw/zinc/29/07/93/203290793.db2.gz YUDKUKXHVBUKEU-ROKHWSDSSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1[C@@H]([NH2+]C2CC(C(C)(C)C)C2)CCC[N@@H+]1C ZINC000459480601 203291473 /nfs/dbraw/zinc/29/14/73/203291473.db2.gz MDDZWYSFOFGDDS-ABXWRUBCSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1[C@@H]([NH2+]C2CC(C(C)(C)C)C2)CCC[N@H+]1C ZINC000459480601 203291478 /nfs/dbraw/zinc/29/14/78/203291478.db2.gz MDDZWYSFOFGDDS-ABXWRUBCSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]C2CC(C(C)(C)C)C2)CCC[N@@H+]1C ZINC000459480604 203291515 /nfs/dbraw/zinc/29/15/15/203291515.db2.gz MDDZWYSFOFGDDS-RYSNWHEDSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1[C@@H]([NH2+]C2CC(C(C)(C)C)C2)CCC[N@H+]1C ZINC000459480604 203291517 /nfs/dbraw/zinc/29/15/17/203291517.db2.gz MDDZWYSFOFGDDS-RYSNWHEDSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C[C@]1(C)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459501833 203294071 /nfs/dbraw/zinc/29/40/71/203294071.db2.gz FCVBVVJJLXMYRK-HNNXBMFYSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)C[C@]1(C)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459501833 203294074 /nfs/dbraw/zinc/29/40/74/203294074.db2.gz FCVBVVJJLXMYRK-HNNXBMFYSA-N 2 2 249.402 2.863 20 0 BFADLP CCCC[C@@H]1CCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459662727 203332162 /nfs/dbraw/zinc/33/21/62/203332162.db2.gz NQYILNFQSKWDKX-UKRRQHHQSA-N 2 2 249.402 2.911 20 0 BFADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000459657637 203329916 /nfs/dbraw/zinc/32/99/16/203329916.db2.gz NWQDLOCWZOHQHI-KYEXWDHISA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000459657637 203329918 /nfs/dbraw/zinc/32/99/18/203329918.db2.gz NWQDLOCWZOHQHI-KYEXWDHISA-N 2 2 236.403 2.636 20 0 BFADLP c1cn(CCC[NH2+]C2(C3CCC3)CCC2)c[nH+]1 ZINC000459776064 203365708 /nfs/dbraw/zinc/36/57/08/203365708.db2.gz QQQZZEXDTWKMGL-UHFFFAOYSA-N 2 2 233.359 2.586 20 0 BFADLP CCCc1ccc(C[NH2+]CC[NH+]2CCCC2)cc1 ZINC000620439855 369878477 /nfs/dbraw/zinc/87/84/77/369878477.db2.gz HELNDBZIJOKQFJ-UHFFFAOYSA-N 2 2 246.398 2.825 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000251712673 369909153 /nfs/dbraw/zinc/90/91/53/369909153.db2.gz JPXGYGKQLIGVKS-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000251712673 369909158 /nfs/dbraw/zinc/90/91/58/369909158.db2.gz JPXGYGKQLIGVKS-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000623785823 371091117 /nfs/dbraw/zinc/09/11/17/371091117.db2.gz LVYNJPVQSUSXCS-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000623785823 371091121 /nfs/dbraw/zinc/09/11/21/371091121.db2.gz LVYNJPVQSUSXCS-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC23CC3)C[N@@H+]1C1CC1 ZINC000623825230 371112960 /nfs/dbraw/zinc/11/29/60/371112960.db2.gz ZLKGWJWNDZAOCE-MGPQQGTHSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC23CC3)C[N@H+]1C1CC1 ZINC000623825230 371112962 /nfs/dbraw/zinc/11/29/62/371112962.db2.gz ZLKGWJWNDZAOCE-MGPQQGTHSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1[nH+]cccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623942403 371170539 /nfs/dbraw/zinc/17/05/39/371170539.db2.gz IKDDIPPSMYESFY-GFCCVEGCSA-N 2 2 233.359 2.675 20 0 BFADLP Cc1[nH+]cccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623942403 371170540 /nfs/dbraw/zinc/17/05/40/371170540.db2.gz IKDDIPPSMYESFY-GFCCVEGCSA-N 2 2 233.359 2.675 20 0 BFADLP Cc1cccc([C@H]([NH2+]CC[NH+](C)C)C(C)C)c1 ZINC000623983464 371217006 /nfs/dbraw/zinc/21/70/06/371217006.db2.gz BFGZFODZWBROGT-OAHLLOKOSA-N 2 2 234.387 2.843 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000624101685 371307845 /nfs/dbraw/zinc/30/78/45/371307845.db2.gz VFVJBJWKANTEAE-WOSRLPQWSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)c2ccccc21 ZINC000624101685 371307847 /nfs/dbraw/zinc/30/78/47/371307847.db2.gz VFVJBJWKANTEAE-WOSRLPQWSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101595 371308228 /nfs/dbraw/zinc/30/82/28/371308228.db2.gz QKRLCQDGBXVJPD-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101595 371308231 /nfs/dbraw/zinc/30/82/31/371308231.db2.gz QKRLCQDGBXVJPD-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC[N@H+](CC[NH2+]C(C)(C)C)C1CC1 ZINC000042317837 168810048 /nfs/dbraw/zinc/81/00/48/168810048.db2.gz VHZKEXIZJCGPQG-UHFFFAOYSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[N@@H+](CC[NH2+]C(C)(C)C)C1CC1 ZINC000042317837 168810050 /nfs/dbraw/zinc/81/00/50/168810050.db2.gz VHZKEXIZJCGPQG-UHFFFAOYSA-N 2 2 212.381 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000624270262 371451520 /nfs/dbraw/zinc/45/15/20/371451520.db2.gz CJBSIFZHYZASRH-KKUMJFAQSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000624270262 371451527 /nfs/dbraw/zinc/45/15/27/371451527.db2.gz CJBSIFZHYZASRH-KKUMJFAQSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1C ZINC000624271777 371452367 /nfs/dbraw/zinc/45/23/67/371452367.db2.gz DLTQOGTWLSFMEE-CBBWQLFWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1C ZINC000624271777 371452370 /nfs/dbraw/zinc/45/23/70/371452370.db2.gz DLTQOGTWLSFMEE-CBBWQLFWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000631736412 372538574 /nfs/dbraw/zinc/53/85/74/372538574.db2.gz JTUPTKKKKADBTK-GUTXKFCHSA-N 2 2 232.371 2.596 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000631736412 372538584 /nfs/dbraw/zinc/53/85/84/372538584.db2.gz JTUPTKKKKADBTK-GUTXKFCHSA-N 2 2 232.371 2.596 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)c(F)c1 ZINC000383407444 374285605 /nfs/dbraw/zinc/28/56/05/374285605.db2.gz RYXFTYVDPCTKON-GFCCVEGCSA-N 2 2 238.350 2.564 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](C)[NH+](C)C ZINC000167335926 206145983 /nfs/dbraw/zinc/14/59/83/206145983.db2.gz SNXQOWNGGXZWJN-XQQFMLRXSA-N 2 2 214.397 2.741 20 0 BFADLP CCC[NH+]1CCC([NH2+]Cc2ccc(C)o2)CC1 ZINC000020189587 169188360 /nfs/dbraw/zinc/18/83/60/169188360.db2.gz DOZPAVCYVAGRQO-UHFFFAOYSA-N 2 2 236.359 2.552 20 0 BFADLP CCC[NH+]1CCC([NH2+]Cc2occc2C)CC1 ZINC000135133492 169188589 /nfs/dbraw/zinc/18/85/89/169188589.db2.gz SHCHZUOICMIXNA-UHFFFAOYSA-N 2 2 236.359 2.552 20 0 BFADLP c1c[nH+]c(CNc2ccc([NH+]3CCCC3)cc2)[nH]1 ZINC000049715286 183324401 /nfs/dbraw/zinc/32/44/01/183324401.db2.gz XBWUYAZKGVKDLB-UHFFFAOYSA-N 2 2 242.326 2.622 20 0 BFADLP CCC[N@@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000354432928 169199158 /nfs/dbraw/zinc/19/91/58/169199158.db2.gz PRTSLUGGBNRKGM-IHRRRGAJSA-N 2 2 224.392 2.734 20 0 BFADLP CCC[N@H+]1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000354432928 169199160 /nfs/dbraw/zinc/19/91/60/169199160.db2.gz PRTSLUGGBNRKGM-IHRRRGAJSA-N 2 2 224.392 2.734 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1csc2ccccc12 ZINC000228717364 169259710 /nfs/dbraw/zinc/25/97/10/169259710.db2.gz ICFUYISWYSDKMO-UHFFFAOYSA-N 2 2 248.395 2.991 20 0 BFADLP CCC[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000081292430 169269384 /nfs/dbraw/zinc/26/93/84/169269384.db2.gz AOYROGRCJROPAQ-UHFFFAOYSA-N 2 2 229.327 2.680 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000267472236 183398028 /nfs/dbraw/zinc/39/80/28/183398028.db2.gz YCTYCMOWSYDCFS-AWEZNQCLSA-N 2 2 241.338 2.789 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000267472236 183398030 /nfs/dbraw/zinc/39/80/30/183398030.db2.gz YCTYCMOWSYDCFS-AWEZNQCLSA-N 2 2 241.338 2.789 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000267472237 183398574 /nfs/dbraw/zinc/39/85/74/183398574.db2.gz YCTYCMOWSYDCFS-CQSZACIVSA-N 2 2 241.338 2.789 20 0 BFADLP c1c[nH+]c([C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000267472237 183398576 /nfs/dbraw/zinc/39/85/76/183398576.db2.gz YCTYCMOWSYDCFS-CQSZACIVSA-N 2 2 241.338 2.789 20 0 BFADLP CCC[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000337252111 169366043 /nfs/dbraw/zinc/36/60/43/169366043.db2.gz OLRDDKIULCLOOJ-LLVKDONJSA-N 2 2 221.348 2.778 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028213 169369430 /nfs/dbraw/zinc/36/94/30/169369430.db2.gz OCAJZKMPGMUAIA-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000336739676 169369498 /nfs/dbraw/zinc/36/94/98/169369498.db2.gz PIXLIEYGTYLBEM-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000336739676 169369500 /nfs/dbraw/zinc/36/95/00/169369500.db2.gz PIXLIEYGTYLBEM-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)C[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153205 169359917 /nfs/dbraw/zinc/35/99/17/169359917.db2.gz GFGDHMLGWAPZLI-KGLIPLIRSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@@H](CC)[NH2+]CC[NH+]1CCCCC1 ZINC000125141310 169379284 /nfs/dbraw/zinc/37/92/84/169379284.db2.gz XELQMNZKMJNTDR-CYBMUJFWSA-N 2 2 212.381 2.641 20 0 BFADLP CCC[C@@H](CC)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000125485080 169379310 /nfs/dbraw/zinc/37/93/10/169379310.db2.gz DALPOWVDLJPZCZ-VXGBXAGGSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@@H](CC)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000125485080 169379312 /nfs/dbraw/zinc/37/93/12/169379312.db2.gz DALPOWVDLJPZCZ-VXGBXAGGSA-N 2 2 212.381 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000235189553 383823836 /nfs/dbraw/zinc/82/38/36/383823836.db2.gz DOBGFQTVUGOUQS-MFKMUULPSA-N 2 2 238.762 2.743 20 0 BFADLP CCc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000035274951 383848310 /nfs/dbraw/zinc/84/83/10/383848310.db2.gz VHKDTIRSOVVJBU-ZDUSSCGKSA-N 2 2 243.354 2.624 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000235213307 383853043 /nfs/dbraw/zinc/85/30/43/383853043.db2.gz DOBGFQTVUGOUQS-ZWNOBZJWSA-N 2 2 238.762 2.743 20 0 BFADLP CS[C@H](C)C[NH2+]CCCc1c[nH+]ccc1C ZINC000290351043 384000353 /nfs/dbraw/zinc/00/03/53/384000353.db2.gz LWNMZMBCGBFQIL-GFCCVEGCSA-N 2 2 238.400 2.664 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)c1cccc(C)c1 ZINC000348287399 383955228 /nfs/dbraw/zinc/95/52/28/383955228.db2.gz HXEJYGJKLHPJBD-DZGCQCFKSA-N 2 2 234.387 2.986 20 0 BFADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1F ZINC000037248900 383965181 /nfs/dbraw/zinc/96/51/81/383965181.db2.gz YGZIURNDEPMMHZ-NSHDSACASA-N 2 2 236.334 2.571 20 0 BFADLP CC[C@@H]([NH2+]CCCc1c[nH+]ccc1C)C(F)F ZINC000449358929 383969701 /nfs/dbraw/zinc/96/97/01/383969701.db2.gz GWGCBRAZGXTZIY-GFCCVEGCSA-N 2 2 242.313 2.956 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000070091496 384077345 /nfs/dbraw/zinc/07/73/45/384077345.db2.gz DTXAYJYHVGOYQW-VXGBXAGGSA-N 2 2 249.383 2.992 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000070091497 384077735 /nfs/dbraw/zinc/07/77/35/384077735.db2.gz DTXAYJYHVGOYQW-NEPJUHHUSA-N 2 2 249.383 2.992 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]CC[N@H+](C)C(C)C ZINC000116387585 384108878 /nfs/dbraw/zinc/10/88/78/384108878.db2.gz YUJYPSFNFBGHIF-MRXNPFEDSA-N 2 2 248.414 2.938 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]CC[N@@H+](C)C(C)C ZINC000116387585 384108882 /nfs/dbraw/zinc/10/88/82/384108882.db2.gz YUJYPSFNFBGHIF-MRXNPFEDSA-N 2 2 248.414 2.938 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000560470195 384156179 /nfs/dbraw/zinc/15/61/79/384156179.db2.gz HPHIHYFCERXPSC-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000560470195 384156182 /nfs/dbraw/zinc/15/61/82/384156182.db2.gz HPHIHYFCERXPSC-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP CC[C@@H](C)C[NH2+]CCc1cc[nH+]cc1C ZINC000093111051 384158772 /nfs/dbraw/zinc/15/87/72/384158772.db2.gz QUQCAXQFOLWVGU-LLVKDONJSA-N 2 2 206.333 2.568 20 0 BFADLP CC1=CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000560476942 384159772 /nfs/dbraw/zinc/15/97/72/384159772.db2.gz SXLUVEMZLUUDRF-OLZOCXBDSA-N 2 2 222.376 2.558 20 0 BFADLP CC1=CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000560476942 384159774 /nfs/dbraw/zinc/15/97/74/384159774.db2.gz SXLUVEMZLUUDRF-OLZOCXBDSA-N 2 2 222.376 2.558 20 0 BFADLP CSCCC[NH2+]CCCc1c[nH+]ccc1C ZINC000290461088 384180206 /nfs/dbraw/zinc/18/02/06/384180206.db2.gz UCBDVVIBWLMCBQ-UHFFFAOYSA-N 2 2 238.400 2.665 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000118975732 384220111 /nfs/dbraw/zinc/22/01/11/384220111.db2.gz BKFBWFRAPBSKKR-HIFRSBDPSA-N 2 2 234.387 2.986 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)(C)C ZINC000133556979 384252939 /nfs/dbraw/zinc/25/29/39/384252939.db2.gz MEVLXXYGYTZSHX-GRYCIOLGSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)(C)C ZINC000133556979 384252946 /nfs/dbraw/zinc/25/29/46/384252946.db2.gz MEVLXXYGYTZSHX-GRYCIOLGSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)(C)C ZINC000133556606 384253390 /nfs/dbraw/zinc/25/33/90/384253390.db2.gz MEVLXXYGYTZSHX-WOPDTQHZSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)(C)C ZINC000133556606 384253398 /nfs/dbraw/zinc/25/33/98/384253398.db2.gz MEVLXXYGYTZSHX-WOPDTQHZSA-N 2 2 224.392 2.636 20 0 BFADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)o1 ZINC000093644041 384255429 /nfs/dbraw/zinc/25/54/29/384255429.db2.gz DDWCNHCKQDLHJF-DGCLKSJQSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000093644041 384255433 /nfs/dbraw/zinc/25/54/33/384255433.db2.gz DDWCNHCKQDLHJF-DGCLKSJQSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644041 384255439 /nfs/dbraw/zinc/25/54/39/384255439.db2.gz DDWCNHCKQDLHJF-DGCLKSJQSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)o1 ZINC000093644041 384255442 /nfs/dbraw/zinc/25/54/42/384255442.db2.gz DDWCNHCKQDLHJF-DGCLKSJQSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1cccc2[nH+]c(CC[NH2+][C@@H](C)C3CC3)cn21 ZINC000647262653 384312141 /nfs/dbraw/zinc/31/21/41/384312141.db2.gz IQZFDODUUUOUDU-LBPRGKRZSA-N 2 2 243.354 2.573 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCCC(C)(F)F)C[N@@H+]1C1CC1 ZINC000390089900 384347749 /nfs/dbraw/zinc/34/77/49/384347749.db2.gz IIPIVZVNACUYRE-WDEREUQCSA-N 2 2 246.345 2.637 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCCC(C)(F)F)C[N@H+]1C1CC1 ZINC000390089900 384347755 /nfs/dbraw/zinc/34/77/55/384347755.db2.gz IIPIVZVNACUYRE-WDEREUQCSA-N 2 2 246.345 2.637 20 0 BFADLP Cc1sccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000335557890 384325283 /nfs/dbraw/zinc/32/52/83/384325283.db2.gz LEAQNWRRXWOARZ-ZWNOBZJWSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1sccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000335557890 384325289 /nfs/dbraw/zinc/32/52/89/384325289.db2.gz LEAQNWRRXWOARZ-ZWNOBZJWSA-N 2 2 238.400 2.629 20 0 BFADLP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000447579038 384328078 /nfs/dbraw/zinc/32/80/78/384328078.db2.gz MIWZOXNBELUZOF-IPYPFGDCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC1CCCCC1)[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000447579038 384328085 /nfs/dbraw/zinc/32/80/85/384328085.db2.gz MIWZOXNBELUZOF-IPYPFGDCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000447579040 384328877 /nfs/dbraw/zinc/32/88/77/384328877.db2.gz MIWZOXNBELUZOF-VNHYZAJKSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000447579040 384328881 /nfs/dbraw/zinc/32/88/81/384328881.db2.gz MIWZOXNBELUZOF-VNHYZAJKSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H](C)[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000309190230 384419640 /nfs/dbraw/zinc/41/96/40/384419640.db2.gz PMNCTIFLMRZEMY-LLVKDONJSA-N 2 2 206.333 2.711 20 0 BFADLP Cc1cccc(CC[NH2+][C@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000449231116 384452198 /nfs/dbraw/zinc/45/21/98/384452198.db2.gz CPYZYRLCEPUDFF-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(CC[NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)c1 ZINC000449231116 384452201 /nfs/dbraw/zinc/45/22/01/384452201.db2.gz CPYZYRLCEPUDFF-HOCLYGCPSA-N 2 2 246.398 2.610 20 0 BFADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000037712594 384511845 /nfs/dbraw/zinc/51/18/45/384511845.db2.gz SDLIBCFOWJDRCT-SSDOTTSWSA-N 2 2 233.142 2.603 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+]CC[N@H+]1CC=C(C)CC1 ZINC000309713537 384552052 /nfs/dbraw/zinc/55/20/52/384552052.db2.gz RTGPQGKXUWBZNN-KGLIPLIRSA-N 2 2 224.392 2.663 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+]CC[N@@H+]1CC=C(C)CC1 ZINC000309713537 384552056 /nfs/dbraw/zinc/55/20/56/384552056.db2.gz RTGPQGKXUWBZNN-KGLIPLIRSA-N 2 2 224.392 2.663 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2CC2(C)C)c[nH+]1 ZINC000309710841 384553584 /nfs/dbraw/zinc/55/35/84/384553584.db2.gz QOIANJCFVUKDRH-CYBMUJFWSA-N 2 2 218.344 2.711 20 0 BFADLP Cc1cc(C)cc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000049752882 384561933 /nfs/dbraw/zinc/56/19/33/384561933.db2.gz YSTKYCBGLAYBPF-UHFFFAOYSA-N 2 2 243.354 2.680 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H](C)c1ccccc1 ZINC000080248443 384539720 /nfs/dbraw/zinc/53/97/20/384539720.db2.gz RONUKWKQJMLVGP-NWDGAFQWSA-N 2 2 229.327 2.692 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000080248450 384540749 /nfs/dbraw/zinc/54/07/49/384540749.db2.gz RONUKWKQJMLVGP-RYUDHWBXSA-N 2 2 229.327 2.692 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643067249 384581073 /nfs/dbraw/zinc/58/10/73/384581073.db2.gz YMAKMOKSOCMHRU-GJZGRUSLSA-N 2 2 236.403 2.641 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643067249 384581075 /nfs/dbraw/zinc/58/10/75/384581075.db2.gz YMAKMOKSOCMHRU-GJZGRUSLSA-N 2 2 236.403 2.641 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C(C)C ZINC000367436637 384591081 /nfs/dbraw/zinc/59/10/81/384591081.db2.gz GRTMSVOMMQVELS-ZDUSSCGKSA-N 2 2 235.375 2.744 20 0 BFADLP CCC1(C)CCC([NH2+]C[C@H](C)[NH+](C)C)CC1 ZINC000310041064 384602603 /nfs/dbraw/zinc/60/26/03/384602603.db2.gz YEMJRJCSRXVQFU-HSBZDZAISA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000398041559 384613245 /nfs/dbraw/zinc/61/32/45/384613245.db2.gz QNNQFVPNKCACCV-WFASDCNBSA-N 2 2 232.371 2.855 20 0 BFADLP [NH3+][C@H]1CCC[C@@H](Nc2ccc3c(c2)CCC[NH2+]3)C1 ZINC000568248453 384617360 /nfs/dbraw/zinc/61/73/60/384617360.db2.gz RGWDDDAWKJINLA-QWHCGFSZSA-N 2 2 245.370 2.727 20 0 BFADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccsc1 ZINC000050339874 384619427 /nfs/dbraw/zinc/61/94/27/384619427.db2.gz DPOVYFAQLSBPLS-LLVKDONJSA-N 2 2 235.356 2.686 20 0 BFADLP C[C@@H](CC[NH2+]Cc1ccco1)[NH+]1CCCCC1 ZINC000184332834 384596142 /nfs/dbraw/zinc/59/61/42/384596142.db2.gz QYTUPGCTQXGCNF-ZDUSSCGKSA-N 2 2 236.359 2.634 20 0 BFADLP CCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000363675591 384681940 /nfs/dbraw/zinc/68/19/40/384681940.db2.gz BFCVYQNAHKDVAG-UHFFFAOYSA-N 2 2 221.348 2.710 20 0 BFADLP CC[N@H+](C)CC[NH2+]C/C(C)=C/c1ccccc1 ZINC000102425130 384710853 /nfs/dbraw/zinc/71/08/53/384710853.db2.gz FVQISIGJOBOJPF-WYMLVPIESA-N 2 2 232.371 2.631 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C/C(C)=C/c1ccccc1 ZINC000102425130 384710858 /nfs/dbraw/zinc/71/08/58/384710858.db2.gz FVQISIGJOBOJPF-WYMLVPIESA-N 2 2 232.371 2.631 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)c(C)c1 ZINC000647550132 384746271 /nfs/dbraw/zinc/74/62/71/384746271.db2.gz BGTGAHKFZCTQED-WFASDCNBSA-N 2 2 246.398 2.699 20 0 BFADLP CC(C)C[NH2+][C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000185687414 384759629 /nfs/dbraw/zinc/75/96/29/384759629.db2.gz KVVKGXAJIBNFGR-ZFWWWQNUSA-N 2 2 234.387 2.923 20 0 BFADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CC[NH3+])CCCO2 ZINC000062623321 384760812 /nfs/dbraw/zinc/76/08/12/384760812.db2.gz ZRLNICJORVISIO-CQSZACIVSA-N 2 2 248.370 2.572 20 0 BFADLP CC[N@H+](C)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000054110595 384821739 /nfs/dbraw/zinc/82/17/39/384821739.db2.gz SLKPSQYURVIPNM-CQSZACIVSA-N 2 2 234.387 2.722 20 0 BFADLP CC[N@@H+](C)CC[NH2+]CC[C@@H](C)c1ccccc1 ZINC000054110595 384821748 /nfs/dbraw/zinc/82/17/48/384821748.db2.gz SLKPSQYURVIPNM-CQSZACIVSA-N 2 2 234.387 2.722 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCC1 ZINC000363783167 384834915 /nfs/dbraw/zinc/83/49/15/384834915.db2.gz IZKPLGJOJKAASA-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CCC1 ZINC000363783167 384834920 /nfs/dbraw/zinc/83/49/20/384834920.db2.gz IZKPLGJOJKAASA-TZMCWYRMSA-N 2 2 236.403 2.782 20 0 BFADLP C[N@H+](Cc1ccc(Cl)s1)CC(C)(C)[NH3+] ZINC000042489357 384806778 /nfs/dbraw/zinc/80/67/78/384806778.db2.gz XHQAKVCVIGCCLS-UHFFFAOYSA-N 2 2 232.780 2.571 20 0 BFADLP C[N@@H+](Cc1ccc(Cl)s1)CC(C)(C)[NH3+] ZINC000042489357 384806788 /nfs/dbraw/zinc/80/67/88/384806788.db2.gz XHQAKVCVIGCCLS-UHFFFAOYSA-N 2 2 232.780 2.571 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)o1 ZINC000175011527 384860241 /nfs/dbraw/zinc/86/02/41/384860241.db2.gz LDBPTZZUIWBCQC-QWHCGFSZSA-N 2 2 236.359 2.550 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000151974233 384896119 /nfs/dbraw/zinc/89/61/19/384896119.db2.gz TZJMTALXLLIINY-GUTXKFCHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000151974233 384896126 /nfs/dbraw/zinc/89/61/26/384896126.db2.gz TZJMTALXLLIINY-GUTXKFCHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC000161193156 384907322 /nfs/dbraw/zinc/90/73/22/384907322.db2.gz RLHFCYDMBHKFDH-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCCC[N@H+]1CC)C(C)C ZINC000161193156 384907327 /nfs/dbraw/zinc/90/73/27/384907327.db2.gz RLHFCYDMBHKFDH-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1C[NH2+]CCc1cn(C)c[nH+]1 ZINC000401621088 385051070 /nfs/dbraw/zinc/05/10/70/385051070.db2.gz RFMODPJWIRATLQ-ZIAGYGMSSA-N 2 2 249.402 2.769 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Cl)cc1Cl ZINC000235095318 385061498 /nfs/dbraw/zinc/06/14/98/385061498.db2.gz POIQYYSNBZWGMX-JGVFFNPUSA-N 2 2 247.169 2.991 20 0 BFADLP CC(C)C1CCC(C[NH2+]CCn2cc[nH+]c2)CC1 ZINC000310687639 385151915 /nfs/dbraw/zinc/15/19/15/385151915.db2.gz PQZDBDBIQTWCQH-UHFFFAOYSA-N 2 2 249.402 2.935 20 0 BFADLP C[N@H+](CC[NH2+][C@@H]1CCC1(C)C)Cc1ccccc1 ZINC000342734458 385163613 /nfs/dbraw/zinc/16/36/13/385163613.db2.gz NVOFZKFLKGXPJZ-OAHLLOKOSA-N 2 2 246.398 2.897 20 0 BFADLP C[N@@H+](CC[NH2+][C@@H]1CCC1(C)C)Cc1ccccc1 ZINC000342734458 385163617 /nfs/dbraw/zinc/16/36/17/385163617.db2.gz NVOFZKFLKGXPJZ-OAHLLOKOSA-N 2 2 246.398 2.897 20 0 BFADLP Cc1ccc([C@H](C[NH2+][C@@H](C)C2CC2)[NH+](C)C)cc1 ZINC000177267636 385210761 /nfs/dbraw/zinc/21/07/61/385210761.db2.gz XIOYUKXVXVZWJE-BBRMVZONSA-N 2 2 246.398 2.986 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000130361077 385242165 /nfs/dbraw/zinc/24/21/65/385242165.db2.gz PFUTZNCLLSTVMB-UHFFFAOYSA-N 2 2 247.317 2.544 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000130361077 385242171 /nfs/dbraw/zinc/24/21/71/385242171.db2.gz PFUTZNCLLSTVMB-UHFFFAOYSA-N 2 2 247.317 2.544 20 0 BFADLP C[C@@H]([NH2+][C@H](Cc1ccccc1)C[NH+](C)C)C1CC1 ZINC000177238496 385204837 /nfs/dbraw/zinc/20/48/37/385204837.db2.gz MCAZHLRUVBVIBC-CZUORRHYSA-N 2 2 246.398 2.547 20 0 BFADLP c1ccc2c(c1)CCC[C@@H]2[NH2+]CC[NH+]1CCCC1 ZINC000020127015 385308045 /nfs/dbraw/zinc/30/80/45/385308045.db2.gz KNUIISZIBSXXIO-INIZCTEOSA-N 2 2 244.382 2.749 20 0 BFADLP Cc1ccc(C[NH2+]CCCNc2cccc[nH+]2)o1 ZINC000177590414 385264487 /nfs/dbraw/zinc/26/44/87/385264487.db2.gz LCLOIJWZVCZLCO-UHFFFAOYSA-N 2 2 245.326 2.575 20 0 BFADLP CC[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1CC1 ZINC000130680639 385275059 /nfs/dbraw/zinc/27/50/59/385275059.db2.gz UJGSSLJRBKCULL-CQSZACIVSA-N 2 2 243.354 2.655 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cncs1 ZINC000131415714 385333334 /nfs/dbraw/zinc/33/33/34/385333334.db2.gz DKKMCEBHJVYSQT-NSHDSACASA-N 2 2 241.404 2.526 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154600117 385339124 /nfs/dbraw/zinc/33/91/24/385339124.db2.gz QEERHDVSXBXPHH-HOTGVXAUSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154600117 385339128 /nfs/dbraw/zinc/33/91/28/385339128.db2.gz QEERHDVSXBXPHH-HOTGVXAUSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154600239 385339692 /nfs/dbraw/zinc/33/96/92/385339692.db2.gz QEERHDVSXBXPHH-CVEARBPZSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154600239 385339697 /nfs/dbraw/zinc/33/96/97/385339697.db2.gz QEERHDVSXBXPHH-CVEARBPZSA-N 2 2 246.398 2.692 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000154637596 385344643 /nfs/dbraw/zinc/34/46/43/385344643.db2.gz RVGZAYSITWBVNR-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1 ZINC000154637596 385344646 /nfs/dbraw/zinc/34/46/46/385344646.db2.gz RVGZAYSITWBVNR-HIFRSBDPSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCc2ccccc21 ZINC000168726578 385383989 /nfs/dbraw/zinc/38/39/89/385383989.db2.gz UAFKXSQBFXQREU-WFASDCNBSA-N 2 2 232.371 2.604 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000309165842 385446829 /nfs/dbraw/zinc/44/68/29/385446829.db2.gz IXHRQAYLFBLLNE-AVGNSLFASA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000309165842 385446831 /nfs/dbraw/zinc/44/68/31/385446831.db2.gz IXHRQAYLFBLLNE-AVGNSLFASA-N 2 2 212.381 2.637 20 0 BFADLP CCOc1cccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000171133030 385469456 /nfs/dbraw/zinc/46/94/56/385469456.db2.gz ZMNMQIBCAQIIPO-LLVKDONJSA-N 2 2 245.326 2.659 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC1(C)C)[NH+](C)C ZINC000309316763 385529474 /nfs/dbraw/zinc/52/94/74/385529474.db2.gz PJILSHMWELVVAS-CHWSQXEVSA-N 2 2 226.408 2.741 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000171940743 385534877 /nfs/dbraw/zinc/53/48/77/385534877.db2.gz JLYPBPIMBAWFKO-AWEZNQCLSA-N 2 2 249.402 2.806 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000171940743 385534882 /nfs/dbraw/zinc/53/48/82/385534882.db2.gz JLYPBPIMBAWFKO-AWEZNQCLSA-N 2 2 249.402 2.806 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CC(C)(C)C1 ZINC000309344827 385544153 /nfs/dbraw/zinc/54/41/53/385544153.db2.gz LLFRDYCHUBHDFC-LBPRGKRZSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000309417553 385574850 /nfs/dbraw/zinc/57/48/50/385574850.db2.gz ZACWRAQBHURJJL-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CCC12CCC2)[NH+](C)C ZINC000337385841 385636348 /nfs/dbraw/zinc/63/63/48/385636348.db2.gz HQFQMPVFOXWBGM-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1[C@H](Nc2cc[nH+]cc2Cl)CCC[N@@H+]1C ZINC000309506640 385641728 /nfs/dbraw/zinc/64/17/28/385641728.db2.gz WBOBZNYJZZIKTL-MWLCHTKSSA-N 2 2 239.750 2.630 20 0 BFADLP C[C@@H]1[C@H](Nc2cc[nH+]cc2Cl)CCC[N@H+]1C ZINC000309506640 385641731 /nfs/dbraw/zinc/64/17/31/385641731.db2.gz WBOBZNYJZZIKTL-MWLCHTKSSA-N 2 2 239.750 2.630 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)CCC2 ZINC000495090105 385672153 /nfs/dbraw/zinc/67/21/53/385672153.db2.gz ZVRCWUBPSHLAIW-DOERSZECSA-N 2 2 247.386 2.703 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CC(C)(C)C1 ZINC000309550508 385687837 /nfs/dbraw/zinc/68/78/37/385687837.db2.gz IBUQPVOHOCHQAN-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000414551649 385740573 /nfs/dbraw/zinc/74/05/73/385740573.db2.gz OZRJGYYKJXLTJU-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1 ZINC000414551649 385740578 /nfs/dbraw/zinc/74/05/78/385740578.db2.gz OZRJGYYKJXLTJU-AWEZNQCLSA-N 2 2 244.338 2.617 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000336736204 385741037 /nfs/dbraw/zinc/74/10/37/385741037.db2.gz MLSKYLULDWQVPL-JSGCOSHPSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000336736204 385741038 /nfs/dbraw/zinc/74/10/38/385741038.db2.gz MLSKYLULDWQVPL-JSGCOSHPSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000309689917 385787232 /nfs/dbraw/zinc/78/72/32/385787232.db2.gz PKXXYFGVWBPKMS-BFHYXJOUSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000309689917 385787241 /nfs/dbraw/zinc/78/72/41/385787241.db2.gz PKXXYFGVWBPKMS-BFHYXJOUSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1[C@H]([NH2+]C2CCC3(CC3)CC2)CCC[N@@H+]1C ZINC000488462214 385806324 /nfs/dbraw/zinc/80/63/24/385806324.db2.gz HECLHOXXVXTJOA-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1[C@H]([NH2+]C2CCC3(CC3)CC2)CCC[N@H+]1C ZINC000488462214 385806329 /nfs/dbraw/zinc/80/63/29/385806329.db2.gz HECLHOXXVXTJOA-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC[C@@H]1CF ZINC000294209035 385822713 /nfs/dbraw/zinc/82/27/13/385822713.db2.gz YDOPHZWKEXSROZ-CQSZACIVSA-N 2 2 236.334 2.757 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC[C@@H]1CF ZINC000294209035 385822719 /nfs/dbraw/zinc/82/27/19/385822719.db2.gz YDOPHZWKEXSROZ-CQSZACIVSA-N 2 2 236.334 2.757 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C1CCC1 ZINC000414953016 385828156 /nfs/dbraw/zinc/82/81/56/385828156.db2.gz JESDYQQHMANZQQ-WBMJQRKESA-N 2 2 244.382 2.652 20 0 BFADLP Cc1ccsc1C[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000336725040 385828739 /nfs/dbraw/zinc/82/87/39/385828739.db2.gz BHHRDNUZBDCOIU-VXGBXAGGSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1ccsc1C[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000336725040 385828740 /nfs/dbraw/zinc/82/87/40/385828740.db2.gz BHHRDNUZBDCOIU-VXGBXAGGSA-N 2 2 238.400 2.629 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000623740598 385789208 /nfs/dbraw/zinc/78/92/08/385789208.db2.gz ABFOPYSSASSECN-USRAEIGSSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)C[N@H+]1C1CC1 ZINC000623740598 385789217 /nfs/dbraw/zinc/78/92/17/385789217.db2.gz ABFOPYSSASSECN-USRAEIGSSA-N 2 2 248.414 2.637 20 0 BFADLP CCC[C@H](C)[C@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000336743410 385789650 /nfs/dbraw/zinc/78/96/50/385789650.db2.gz PCDXZJIKCOOSKI-NWDGAFQWSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@H](C)[C@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000336743410 385789653 /nfs/dbraw/zinc/78/96/53/385789653.db2.gz PCDXZJIKCOOSKI-NWDGAFQWSA-N 2 2 212.381 2.624 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1C ZINC000414964131 385902603 /nfs/dbraw/zinc/90/26/03/385902603.db2.gz YFNWVWWGLWSUQT-GOEBONIOSA-N 2 2 246.398 2.842 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000414877301 385923835 /nfs/dbraw/zinc/92/38/35/385923835.db2.gz XMYFSFZXVHVTEP-UHFFFAOYSA-N 2 2 244.741 2.568 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000337984857 385868050 /nfs/dbraw/zinc/86/80/50/385868050.db2.gz BYGVKKFBRBAMIV-WXYCVUISSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000337984857 385868054 /nfs/dbraw/zinc/86/80/54/385868054.db2.gz BYGVKKFBRBAMIV-WXYCVUISSA-N 2 2 248.414 2.780 20 0 BFADLP FCCC[C@H]1CCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000337985692 385868093 /nfs/dbraw/zinc/86/80/93/385868093.db2.gz BAFQFZFHJNOCMX-KGLIPLIRSA-N 2 2 242.382 2.590 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337986673 385868110 /nfs/dbraw/zinc/86/81/10/385868110.db2.gz POTLRZDMSFUJAF-UONOGXRCSA-N 2 2 244.398 2.836 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)[C@@H]1CC1(C)C ZINC000414144998 385992189 /nfs/dbraw/zinc/99/21/89/385992189.db2.gz ULLXJPDEDGTMDK-AVGNSLFASA-N 2 2 247.386 2.612 20 0 BFADLP Cc1c2ccccc2oc1C[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000335042648 385935430 /nfs/dbraw/zinc/93/54/30/385935430.db2.gz UETXJFRZGANDPF-STQMWFEESA-N 2 2 244.338 2.711 20 0 BFADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@H]1C[C@H]1C ZINC000414058806 385936972 /nfs/dbraw/zinc/93/69/72/385936972.db2.gz HVODOHWIIXFBFA-DYEKYZERSA-N 2 2 243.354 2.511 20 0 BFADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)[C@@H]1C[C@H]1C ZINC000414058807 385937185 /nfs/dbraw/zinc/93/71/85/385937185.db2.gz HVODOHWIIXFBFA-MBNYWOFBSA-N 2 2 243.354 2.511 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)Cc1cccc(C)n1 ZINC000338274620 385939489 /nfs/dbraw/zinc/93/94/89/385939489.db2.gz KSZIPCSQBWWLIU-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cccc(C)n1 ZINC000338274620 385939494 /nfs/dbraw/zinc/93/94/94/385939494.db2.gz KSZIPCSQBWWLIU-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CC/C=C/CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342245454 385952918 /nfs/dbraw/zinc/95/29/18/385952918.db2.gz JGBOODAJIAWAFX-NHZBNJEXSA-N 2 2 246.354 2.891 20 0 BFADLP CC/C=C/CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342245454 385952923 /nfs/dbraw/zinc/95/29/23/385952923.db2.gz JGBOODAJIAWAFX-NHZBNJEXSA-N 2 2 246.354 2.891 20 0 BFADLP C[C@H](C1CCCCC1)[N@H+](C)CCn1cc[nH+]c1 ZINC000338339888 385970826 /nfs/dbraw/zinc/97/08/26/385970826.db2.gz HCCLTQFQABLDBK-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H](C1CCCCC1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000338339888 385970829 /nfs/dbraw/zinc/97/08/29/385970829.db2.gz HCCLTQFQABLDBK-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414113844 386009218 /nfs/dbraw/zinc/00/92/18/386009218.db2.gz YZSNRLUMCQKUHI-ZKYQVNSYSA-N 2 2 218.344 2.567 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)CCC2 ZINC000414120106 386013214 /nfs/dbraw/zinc/01/32/14/386013214.db2.gz XFNVQAVYTKYAEK-ZZVYKPCYSA-N 2 2 247.386 2.703 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000414170412 386016750 /nfs/dbraw/zinc/01/67/50/386016750.db2.gz BWQSSBJOWNFMDA-SWLSCSKDSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1(C2CCC2)CCC1 ZINC000414170412 386016758 /nfs/dbraw/zinc/01/67/58/386016758.db2.gz BWQSSBJOWNFMDA-SWLSCSKDSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2(C3CCC3)CCC2)C[N@@H+]1C1CC1 ZINC000414197401 386035580 /nfs/dbraw/zinc/03/55/80/386035580.db2.gz WJZJRRRYXVOSSN-TZMCWYRMSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2(C3CCC3)CCC2)C[N@H+]1C1CC1 ZINC000414197401 386035586 /nfs/dbraw/zinc/03/55/86/386035586.db2.gz WJZJRRRYXVOSSN-TZMCWYRMSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000345250377 386079845 /nfs/dbraw/zinc/07/98/45/386079845.db2.gz NEOSRUDMTSACKK-OCCSQVGLSA-N 2 2 241.338 2.618 20 0 BFADLP Cc1cc(C[N@H+](C)CCCn2cc[nH+]c2)cs1 ZINC000296204888 386147770 /nfs/dbraw/zinc/14/77/70/386147770.db2.gz ZJZGRVPZUOJWMW-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP Cc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)cs1 ZINC000296204888 386147776 /nfs/dbraw/zinc/14/77/76/386147776.db2.gz ZJZGRVPZUOJWMW-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP CC[C@H](F)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000440783072 386150349 /nfs/dbraw/zinc/15/03/49/386150349.db2.gz KNMVPBVLEGDWOB-FRRDWIJNSA-N 2 2 239.338 2.514 20 0 BFADLP CC[C@H](F)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000440783072 386150357 /nfs/dbraw/zinc/15/03/57/386150357.db2.gz KNMVPBVLEGDWOB-FRRDWIJNSA-N 2 2 239.338 2.514 20 0 BFADLP [NH3+]CC[C@H]([NH2+]CCC1CCCCCC1)C(F)F ZINC000414991988 386150468 /nfs/dbraw/zinc/15/04/68/386150468.db2.gz QGNWORYWMCVVAM-LBPRGKRZSA-N 2 2 248.361 2.919 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@@H](C)CC1CC1)CCC2 ZINC000366207904 386187397 /nfs/dbraw/zinc/18/73/97/386187397.db2.gz FOVRBHQGJCXGFT-SMDDNHRTSA-N 2 2 247.386 2.847 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000414988289 386129697 /nfs/dbraw/zinc/12/96/97/386129697.db2.gz ZNZURLDCKQKGSH-SECBINFHSA-N 2 2 247.169 2.820 20 0 BFADLP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000346281324 386189498 /nfs/dbraw/zinc/18/94/98/386189498.db2.gz TTXJXCCQVYGUCA-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H](C)[C@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000346281324 386189503 /nfs/dbraw/zinc/18/95/03/386189503.db2.gz TTXJXCCQVYGUCA-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](C)C1 ZINC000340283580 386208184 /nfs/dbraw/zinc/20/81/84/386208184.db2.gz LSQYLYYAVRJMBP-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CCC[C@@H](C)C1 ZINC000340283580 386208188 /nfs/dbraw/zinc/20/81/88/386208188.db2.gz LSQYLYYAVRJMBP-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](C)C1 ZINC000340283580 386208190 /nfs/dbraw/zinc/20/81/90/386208190.db2.gz LSQYLYYAVRJMBP-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CCC[C@@H](C)C1 ZINC000340283580 386208193 /nfs/dbraw/zinc/20/81/93/386208193.db2.gz LSQYLYYAVRJMBP-CABCVRRESA-N 2 2 238.419 2.981 20 0 BFADLP CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000125097061 386221541 /nfs/dbraw/zinc/22/15/41/386221541.db2.gz UUEQYUJXOVIOFL-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000125097061 386221546 /nfs/dbraw/zinc/22/15/46/386221546.db2.gz UUEQYUJXOVIOFL-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C(C)C)C1CCC1 ZINC000414715224 386236717 /nfs/dbraw/zinc/23/67/17/386236717.db2.gz WFRWZHRKYSQQCG-GFCCVEGCSA-N 2 2 212.381 2.623 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C(C)C)C1CCC1 ZINC000414715224 386236720 /nfs/dbraw/zinc/23/67/20/386236720.db2.gz WFRWZHRKYSQQCG-GFCCVEGCSA-N 2 2 212.381 2.623 20 0 BFADLP C[C@H](C[NH2+]C1CC(C)(c2ccccc2)C1)[NH+](C)C ZINC000297315636 386244251 /nfs/dbraw/zinc/24/42/51/386244251.db2.gz BZTBHSHWZDRBRZ-IUDNXUCKSA-N 2 2 246.398 2.646 20 0 BFADLP C[NH2+]C1CC[NH+](C/C=C/c2ccc(F)cc2)CC1 ZINC000347192146 386258800 /nfs/dbraw/zinc/25/88/00/386258800.db2.gz FQSRZSRLHQCDCT-NSCUHMNNSA-N 2 2 248.345 2.523 20 0 BFADLP CCC[C@@H]1CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000346299616 386192026 /nfs/dbraw/zinc/19/20/26/386192026.db2.gz BWXAHBIKPQBFJY-CQSZACIVSA-N 2 2 235.375 2.704 20 0 BFADLP CCC[C@@H]1CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000346299616 386192030 /nfs/dbraw/zinc/19/20/30/386192030.db2.gz BWXAHBIKPQBFJY-CQSZACIVSA-N 2 2 235.375 2.704 20 0 BFADLP CCc1cccc(Cl)c1C[NH2+]C[C@H]([NH3+])CC ZINC000414997761 386194841 /nfs/dbraw/zinc/19/48/41/386194841.db2.gz ZPMPSQXVEUSSIL-LLVKDONJSA-N 2 2 240.778 2.729 20 0 BFADLP Clc1csc(C[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000335267442 386323546 /nfs/dbraw/zinc/32/35/46/386323546.db2.gz GWBOROQJNQHXOF-JTQLQIEISA-N 2 2 244.791 2.633 20 0 BFADLP CC(C)(C)[NH2+]CC[N@@H+]1CCCC2(CCC2)C1 ZINC000414749181 386365479 /nfs/dbraw/zinc/36/54/79/386365479.db2.gz XSYVZZQKPCSELN-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)(C)[NH2+]CC[N@H+]1CCCC2(CCC2)C1 ZINC000414749181 386365483 /nfs/dbraw/zinc/36/54/83/386365483.db2.gz XSYVZZQKPCSELN-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000336717892 386441446 /nfs/dbraw/zinc/44/14/46/386441446.db2.gz XBXDZVPCMYVXMY-MNOVXSKESA-N 2 2 226.408 2.597 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336776691 386407100 /nfs/dbraw/zinc/40/71/00/386407100.db2.gz GJIMFFCWLKSEAL-ZOBORPQBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336776691 386407107 /nfs/dbraw/zinc/40/71/07/386407107.db2.gz GJIMFFCWLKSEAL-ZOBORPQBSA-N 2 2 224.392 2.637 20 0 BFADLP C(C[N@@H+]1CCC[C@H]1C[NH+]1CCCCC1)C1CC1 ZINC000336707622 386416002 /nfs/dbraw/zinc/41/60/02/386416002.db2.gz PDYKALNSHJWFNZ-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP C(C[N@H+]1CCC[C@H]1C[NH+]1CCCCC1)C1CC1 ZINC000336707622 386416005 /nfs/dbraw/zinc/41/60/05/386416005.db2.gz PDYKALNSHJWFNZ-HNNXBMFYSA-N 2 2 236.403 2.737 20 0 BFADLP CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1CCC1 ZINC000322608153 386428264 /nfs/dbraw/zinc/42/82/64/386428264.db2.gz ZHQJSERUJDFLCL-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)[C@@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000417357245 386493269 /nfs/dbraw/zinc/49/32/69/386493269.db2.gz QYEVOUMSOOJRCE-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@@H](C)[NH2+][C@H](C)C[NH+](C)C ZINC000336771385 386500086 /nfs/dbraw/zinc/50/00/86/386500086.db2.gz XIAGYMNEOIBFCK-CHWSQXEVSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000415024966 386514191 /nfs/dbraw/zinc/51/41/91/386514191.db2.gz ZGXKXOKIDLBVHV-VXGBXAGGSA-N 2 2 244.338 2.772 20 0 BFADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(Cl)s1 ZINC000415047643 386534290 /nfs/dbraw/zinc/53/42/90/386534290.db2.gz FGVHAGKQQKKAAJ-SECBINFHSA-N 2 2 246.807 2.865 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1 ZINC000415048846 386534538 /nfs/dbraw/zinc/53/45/38/386534538.db2.gz XMFINTFNIRDMAE-AWEZNQCLSA-N 2 2 232.371 2.534 20 0 BFADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1cc2ccccc2o1 ZINC000415059615 386542564 /nfs/dbraw/zinc/54/25/64/386542564.db2.gz VCFKLWZHCUGCPR-AWEZNQCLSA-N 2 2 246.354 2.896 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1F ZINC000414790790 386545605 /nfs/dbraw/zinc/54/56/05/386545605.db2.gz GWIDSTSNGVHNIE-NSHDSACASA-N 2 2 244.741 2.552 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000063191669 386552503 /nfs/dbraw/zinc/55/25/03/386552503.db2.gz OGRDASQRJXCHPM-TZMCWYRMSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CC1CCCCC1 ZINC000063191669 386552507 /nfs/dbraw/zinc/55/25/07/386552507.db2.gz OGRDASQRJXCHPM-TZMCWYRMSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000063191374 386553427 /nfs/dbraw/zinc/55/34/27/386553427.db2.gz PPJKHOHNHYHWGR-SMDDNHRTSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccccc1F ZINC000063191374 386553433 /nfs/dbraw/zinc/55/34/33/386553433.db2.gz PPJKHOHNHYHWGR-SMDDNHRTSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417361887 386559915 /nfs/dbraw/zinc/55/99/15/386559915.db2.gz ZKTXTVAIQYDLPL-KBPBESRZSA-N 2 2 246.398 2.862 20 0 BFADLP CCc1cccc(Cl)c1C[NH2+]CC(C)(C)[NH3+] ZINC000414795911 386564911 /nfs/dbraw/zinc/56/49/11/386564911.db2.gz BAOKDYQMXUKGGX-UHFFFAOYSA-N 2 2 240.778 2.729 20 0 BFADLP Cc1ccc(C)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000123512933 386568117 /nfs/dbraw/zinc/56/81/17/386568117.db2.gz NZUGFSRTFDZDSL-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000123512933 386568123 /nfs/dbraw/zinc/56/81/23/386568123.db2.gz NZUGFSRTFDZDSL-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000335497923 386623250 /nfs/dbraw/zinc/62/32/50/386623250.db2.gz APOZDUMAQPJNHL-CMPLNLGQSA-N 2 2 224.373 2.541 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)oc1C ZINC000335496290 386618525 /nfs/dbraw/zinc/61/85/25/386618525.db2.gz PBSBKMYYBZYPCU-DGCLKSJQSA-N 2 2 236.359 2.689 20 0 BFADLP C[C@H]([NH2+]CC[NH+](C)C)c1cccc(C2CC2)c1 ZINC000340395462 386683004 /nfs/dbraw/zinc/68/30/04/386683004.db2.gz QAUFUQCRNRLMKN-LBPRGKRZSA-N 2 2 232.371 2.776 20 0 BFADLP C[C@H](C[NH3+])[NH2+]C1c2ccccc2-c2ccccc21 ZINC000335468565 386685936 /nfs/dbraw/zinc/68/59/36/386685936.db2.gz UQPYKFORBBAHOI-LLVKDONJSA-N 2 2 238.334 2.693 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414826652 386688066 /nfs/dbraw/zinc/68/80/66/386688066.db2.gz FYTOVXJKYXNHBW-GXTWGEPZSA-N 2 2 220.360 2.712 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000043324525 386704312 /nfs/dbraw/zinc/70/43/12/386704312.db2.gz SJYKVBYYHWCFRZ-GXFFZTMASA-N 2 2 238.762 2.743 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000268838754 386705112 /nfs/dbraw/zinc/70/51/12/386705112.db2.gz TXUKERWDEXAJDY-KGLIPLIRSA-N 2 2 235.375 2.996 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)o1 ZINC000269066844 386745771 /nfs/dbraw/zinc/74/57/71/386745771.db2.gz ZCZFZPZZMDCVHB-RYUDHWBXSA-N 2 2 238.375 2.833 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000122322924 386741787 /nfs/dbraw/zinc/74/17/87/386741787.db2.gz UCOXNXXTNQBDKA-DZGCQCFKSA-N 2 2 244.382 2.710 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000122322924 386741796 /nfs/dbraw/zinc/74/17/96/386741796.db2.gz UCOXNXXTNQBDKA-DZGCQCFKSA-N 2 2 244.382 2.710 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCCCC1 ZINC000334760370 386819278 /nfs/dbraw/zinc/81/92/78/386819278.db2.gz BSBVUTYKPGZZEC-WCQYABFASA-N 2 2 247.386 2.825 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCCCC1 ZINC000334760370 386819288 /nfs/dbraw/zinc/81/92/88/386819288.db2.gz BSBVUTYKPGZZEC-WCQYABFASA-N 2 2 247.386 2.825 20 0 BFADLP CCC1CCC([NH2+][C@H]2CC[N@H+](CC)C2)CC1 ZINC000328389199 386798722 /nfs/dbraw/zinc/79/87/22/386798722.db2.gz XIYHOYDGAPRXLI-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CCC([NH2+][C@H]2CC[N@@H+](CC)C2)CC1 ZINC000328389199 386798730 /nfs/dbraw/zinc/79/87/30/386798730.db2.gz XIYHOYDGAPRXLI-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000193047750 386813145 /nfs/dbraw/zinc/81/31/45/386813145.db2.gz FWIBWYIJBXHKHI-JTQLQIEISA-N 2 2 244.791 2.585 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Cl)cs1 ZINC000193047750 386813148 /nfs/dbraw/zinc/81/31/48/386813148.db2.gz FWIBWYIJBXHKHI-JTQLQIEISA-N 2 2 244.791 2.585 20 0 BFADLP CCCc1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414939772 386864542 /nfs/dbraw/zinc/86/45/42/386864542.db2.gz XDICLBHPURURSH-XJKSGUPXSA-N 2 2 246.398 2.727 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)o1 ZINC000293710117 386866888 /nfs/dbraw/zinc/86/68/88/386866888.db2.gz OXBPTFHBLOEXKA-RYUDHWBXSA-N 2 2 238.375 2.690 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000334833226 386871973 /nfs/dbraw/zinc/87/19/73/386871973.db2.gz NOTQDWOVALTWCP-KWQFWETISA-N 2 2 244.791 2.632 20 0 BFADLP Cc1cc[nH+]c(NCc2[nH+]ccn2CC(C)C)c1 ZINC000301768080 386875609 /nfs/dbraw/zinc/87/56/09/386875609.db2.gz OLRCEXGOJGMSIR-UHFFFAOYSA-N 2 2 244.342 2.855 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000336744715 386877008 /nfs/dbraw/zinc/87/70/08/386877008.db2.gz VCQMMKMCMLHMJK-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000336744715 386877012 /nfs/dbraw/zinc/87/70/12/386877012.db2.gz VCQMMKMCMLHMJK-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000414941834 386885039 /nfs/dbraw/zinc/88/50/39/386885039.db2.gz BENOSLHCPVLYHX-UHOFOFEASA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@@H]1C)c1ccc(C)cc1 ZINC000358236113 386916974 /nfs/dbraw/zinc/91/69/74/386916974.db2.gz UCWPPKDHWMLXTP-BPUTZDHNSA-N 2 2 246.398 2.986 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@@H]1C)c1ccc(C)cc1 ZINC000358236113 386916980 /nfs/dbraw/zinc/91/69/80/386916980.db2.gz UCWPPKDHWMLXTP-BPUTZDHNSA-N 2 2 246.398 2.986 20 0 BFADLP c1c2ccccc2sc1C[NH2+][C@H]1CCC[NH2+]C1 ZINC000334850897 386900048 /nfs/dbraw/zinc/90/00/48/386900048.db2.gz YDOTTZXWCHERHU-LBPRGKRZSA-N 2 2 246.379 2.743 20 0 BFADLP Cc1ccc(CCC[N@@H+](C)C2CCC2)c[nH+]1 ZINC000353661865 386924044 /nfs/dbraw/zinc/92/40/44/386924044.db2.gz YFGKSHJRADSUKJ-UHFFFAOYSA-N 2 2 218.344 2.807 20 0 BFADLP Cc1ccc(CCC[N@H+](C)C2CCC2)c[nH+]1 ZINC000353661865 386924051 /nfs/dbraw/zinc/92/40/51/386924051.db2.gz YFGKSHJRADSUKJ-UHFFFAOYSA-N 2 2 218.344 2.807 20 0 BFADLP CCCCC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000367995076 386925875 /nfs/dbraw/zinc/92/58/75/386925875.db2.gz LNDXOKNPNDIZGS-RYUDHWBXSA-N 2 2 235.375 2.825 20 0 BFADLP CCCCC[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000367995076 386925883 /nfs/dbraw/zinc/92/58/83/386925883.db2.gz LNDXOKNPNDIZGS-RYUDHWBXSA-N 2 2 235.375 2.825 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c(C)s1 ZINC000334876611 386936243 /nfs/dbraw/zinc/93/62/43/386936243.db2.gz YLOTWBGUIUKFLF-GFCCVEGCSA-N 2 2 238.400 2.595 20 0 BFADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccoc2)c2ccccc21 ZINC000125984304 386962977 /nfs/dbraw/zinc/96/29/77/386962977.db2.gz CYTANTJFGVJEQV-KBPBESRZSA-N 2 2 228.295 2.514 20 0 BFADLP C/C(Cl)=C\C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528388339 387008537 /nfs/dbraw/zinc/00/85/37/387008537.db2.gz PSJMVUJGJHTYDN-YKAQBRKTSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C\C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528388339 387008540 /nfs/dbraw/zinc/00/85/40/387008540.db2.gz PSJMVUJGJHTYDN-YKAQBRKTSA-N 2 2 242.794 2.547 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1csc2ccccc12 ZINC000104220351 387001399 /nfs/dbraw/zinc/00/13/99/387001399.db2.gz NKMJTPQPGFMBIS-LBPRGKRZSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1csc2ccccc12 ZINC000104220351 387001402 /nfs/dbraw/zinc/00/14/02/387001402.db2.gz NKMJTPQPGFMBIS-LBPRGKRZSA-N 2 2 246.379 2.824 20 0 BFADLP Cc1cc[nH+]c(N[C@@H](C)CC[NH+](C)C)c1Cl ZINC000336745815 387005930 /nfs/dbraw/zinc/00/59/30/387005930.db2.gz RAASZDWZZKYWBU-JTQLQIEISA-N 2 2 241.766 2.796 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358404079 386949941 /nfs/dbraw/zinc/94/99/41/386949941.db2.gz OMEVEOSMUATURR-NUEKZKHPSA-N 2 2 246.398 2.547 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358404079 386949944 /nfs/dbraw/zinc/94/99/44/386949944.db2.gz OMEVEOSMUATURR-NUEKZKHPSA-N 2 2 246.398 2.547 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000358404074 386950202 /nfs/dbraw/zinc/95/02/02/386950202.db2.gz OMEVEOSMUATURR-FVQBIDKESA-N 2 2 246.398 2.547 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000358404074 386950207 /nfs/dbraw/zinc/95/02/07/386950207.db2.gz OMEVEOSMUATURR-FVQBIDKESA-N 2 2 246.398 2.547 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000054111067 387031792 /nfs/dbraw/zinc/03/17/92/387031792.db2.gz WBAOWIWJPJXCNO-CQSZACIVSA-N 2 2 234.387 2.720 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H](C)c1ccccc1 ZINC000054111067 387031796 /nfs/dbraw/zinc/03/17/96/387031796.db2.gz WBAOWIWJPJXCNO-CQSZACIVSA-N 2 2 234.387 2.720 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000334976974 387063698 /nfs/dbraw/zinc/06/36/98/387063698.db2.gz HXKNQVHRQZAIEU-ZDUSSCGKSA-N 2 2 247.386 2.704 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000334976974 387063700 /nfs/dbraw/zinc/06/37/00/387063700.db2.gz HXKNQVHRQZAIEU-ZDUSSCGKSA-N 2 2 247.386 2.704 20 0 BFADLP c1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc(C2CC2)c1 ZINC000643427103 387020646 /nfs/dbraw/zinc/02/06/46/387020646.db2.gz UUZUBMJJVKUZNX-MRXNPFEDSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@H](C[NH2+][C@@H](C)C[NH+](C)C)c1ccccc1 ZINC000228128760 387078155 /nfs/dbraw/zinc/07/81/55/387078155.db2.gz FDTIWDXJCHWHIS-UONOGXRCSA-N 2 2 234.387 2.720 20 0 BFADLP C[N@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000071309418 387103047 /nfs/dbraw/zinc/10/30/47/387103047.db2.gz SUCJNMKXYREHED-OAHLLOKOSA-N 2 2 246.398 2.778 20 0 BFADLP C[N@@H+](Cc1ccc(C(C)(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000071309418 387103052 /nfs/dbraw/zinc/10/30/52/387103052.db2.gz SUCJNMKXYREHED-OAHLLOKOSA-N 2 2 246.398 2.778 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]CC1CCCCC1)CCCC2 ZINC000370260388 387103789 /nfs/dbraw/zinc/10/37/89/387103789.db2.gz HLNCQJKWNDRHRH-UHFFFAOYSA-N 2 2 247.386 2.889 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(F)c1 ZINC000020506150 387105299 /nfs/dbraw/zinc/10/52/99/387105299.db2.gz JRSSAHVOLZRELL-LBPRGKRZSA-N 2 2 247.317 2.763 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000423307939 387142844 /nfs/dbraw/zinc/14/28/44/387142844.db2.gz IFAHPQWCCMVUHN-ZDUSSCGKSA-N 2 2 220.360 2.645 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000423308318 387143730 /nfs/dbraw/zinc/14/37/30/387143730.db2.gz JCGQUDNGIPBCAD-AWEZNQCLSA-N 2 2 238.350 2.866 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccccc1C ZINC000423309897 387145580 /nfs/dbraw/zinc/14/55/80/387145580.db2.gz MLAYXRNOPBYDIF-CYBMUJFWSA-N 2 2 220.360 2.645 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC000423308981 387146311 /nfs/dbraw/zinc/14/63/11/387146311.db2.gz KMRDDQIXVBFLIS-HNNXBMFYSA-N 2 2 249.402 2.758 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000423311809 387149152 /nfs/dbraw/zinc/14/91/52/387149152.db2.gz QWQUXXPAYJWNHY-JTQLQIEISA-N 2 2 242.313 2.615 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000229299346 387150644 /nfs/dbraw/zinc/15/06/44/387150644.db2.gz LVEGSBFYOPVBHG-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000229299346 387150649 /nfs/dbraw/zinc/15/06/49/387150649.db2.gz LVEGSBFYOPVBHG-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353239575 387162875 /nfs/dbraw/zinc/16/28/75/387162875.db2.gz WXYJLOQSEALTRE-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000353239575 387162882 /nfs/dbraw/zinc/16/28/82/387162882.db2.gz WXYJLOQSEALTRE-NSHDSACASA-N 2 2 248.361 2.742 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423320858 387163014 /nfs/dbraw/zinc/16/30/14/387163014.db2.gz GVRJTCSRRCDSAO-SFYZADRCSA-N 2 2 247.169 2.991 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC[NH+]1CCCC1 ZINC000187099407 387171162 /nfs/dbraw/zinc/17/11/62/387171162.db2.gz UDVNCQYOXAOZLQ-GJZGRUSLSA-N 2 2 236.403 2.664 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)Cn1cc[nH+]c1 ZINC000193127840 387174436 /nfs/dbraw/zinc/17/44/36/387174436.db2.gz YFCZWKUSEANXRF-RDBSUJKOSA-N 2 2 249.402 2.934 20 0 BFADLP CSc1ccc([C@H](C)[NH2+][C@H](C)C[NH3+])cc1F ZINC000423338509 387186038 /nfs/dbraw/zinc/18/60/38/387186038.db2.gz VXHIJDDVFMNLEQ-BDAKNGLRSA-N 2 2 242.363 2.545 20 0 BFADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000120166430 387191560 /nfs/dbraw/zinc/19/15/60/387191560.db2.gz LCHSLZBUOGUKKD-ZDUSSCGKSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000120166430 387191563 /nfs/dbraw/zinc/19/15/63/387191563.db2.gz LCHSLZBUOGUKKD-ZDUSSCGKSA-N 2 2 247.386 2.617 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnccc1C ZINC000423304742 387139997 /nfs/dbraw/zinc/13/99/97/387139997.db2.gz ZIBZVKYQYHBEQK-STQMWFEESA-N 2 2 235.375 2.558 20 0 BFADLP C[C@H]1CCCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000187516146 387202209 /nfs/dbraw/zinc/20/22/09/387202209.db2.gz WTTSTUGCBQUTKL-ZDUSSCGKSA-N 2 2 243.354 2.956 20 0 BFADLP C[C@H]1CCCC[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000187516146 387202213 /nfs/dbraw/zinc/20/22/13/387202213.db2.gz WTTSTUGCBQUTKL-ZDUSSCGKSA-N 2 2 243.354 2.956 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH+](CC)CC)C1CCC1 ZINC000322525204 387202842 /nfs/dbraw/zinc/20/28/42/387202842.db2.gz KPAOAFUPZSQAJC-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000300409471 387205517 /nfs/dbraw/zinc/20/55/17/387205517.db2.gz AMBROLDJSTXULP-NHAGDIPZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C)C1CC1 ZINC000300409471 387205521 /nfs/dbraw/zinc/20/55/21/387205521.db2.gz AMBROLDJSTXULP-NHAGDIPZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1ccsc1 ZINC000423358296 387209520 /nfs/dbraw/zinc/20/95/20/387209520.db2.gz JGNWTWDATIHAMK-WCFLWFBJSA-N 2 2 238.400 2.787 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000423358331 387210007 /nfs/dbraw/zinc/21/00/07/387210007.db2.gz JMIYYMCROFDITB-YCPHGPKFSA-N 2 2 246.398 2.952 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCn2cc[nH+]c2)c2ccccc21 ZINC000289288743 387212764 /nfs/dbraw/zinc/21/27/64/387212764.db2.gz QYLJWRYLDDHLHK-DOMZBBRYSA-N 2 2 241.338 2.721 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@@H](C)C[NH3+])C2CCCC2)o1 ZINC000423368073 387220937 /nfs/dbraw/zinc/22/09/37/387220937.db2.gz MZWCKFDLICXBEX-IINYFYTJSA-N 2 2 236.359 2.756 20 0 BFADLP CCSc1ccccc1[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423369324 387222132 /nfs/dbraw/zinc/22/21/32/387222132.db2.gz OHMDVHDSVJKXJG-WDEREUQCSA-N 2 2 238.400 2.796 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000423373007 387225696 /nfs/dbraw/zinc/22/56/96/387225696.db2.gz GREWSKAYEUFPNU-IOASZLSFSA-N 2 2 246.398 2.816 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000423372098 387225853 /nfs/dbraw/zinc/22/58/53/387225853.db2.gz HWPHUIUIVVKFDU-CZPYZCIJSA-N 2 2 244.382 2.650 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000336406081 387237274 /nfs/dbraw/zinc/23/72/74/387237274.db2.gz XWSYAPNEQDXIDV-GXFFZTMASA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000336406081 387237277 /nfs/dbraw/zinc/23/72/77/387237277.db2.gz XWSYAPNEQDXIDV-GXFFZTMASA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353654066 387250788 /nfs/dbraw/zinc/25/07/88/387250788.db2.gz ZRDYHLFSMNIEFR-YPMHNXCESA-N 2 2 247.386 2.825 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353654066 387250790 /nfs/dbraw/zinc/25/07/90/387250790.db2.gz ZRDYHLFSMNIEFR-YPMHNXCESA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000120819596 387196854 /nfs/dbraw/zinc/19/68/54/387196854.db2.gz UHQLFLZHBOIUJX-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000120819596 387196860 /nfs/dbraw/zinc/19/68/60/387196860.db2.gz UHQLFLZHBOIUJX-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000359949767 387197665 /nfs/dbraw/zinc/19/76/65/387197665.db2.gz LXQBERTVIKQGKG-IPYPFGDCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000359949767 387197668 /nfs/dbraw/zinc/19/76/68/387197668.db2.gz LXQBERTVIKQGKG-IPYPFGDCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000423374584 387254044 /nfs/dbraw/zinc/25/40/44/387254044.db2.gz CKVHUSBAGCVNKB-ZOWXZIJZSA-N 2 2 232.371 2.823 20 0 BFADLP CCCC1(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120548577 387254576 /nfs/dbraw/zinc/25/45/76/387254576.db2.gz DHCPQKFPDWBJCJ-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CCCC1(C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120548577 387254582 /nfs/dbraw/zinc/25/45/82/387254582.db2.gz DHCPQKFPDWBJCJ-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CCCC1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120548132 387255182 /nfs/dbraw/zinc/25/51/82/387255182.db2.gz DHCPQKFPDWBJCJ-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP CCCC1(C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120548132 387255190 /nfs/dbraw/zinc/25/51/90/387255190.db2.gz DHCPQKFPDWBJCJ-QWHCGFSZSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cs1 ZINC000423375009 387257095 /nfs/dbraw/zinc/25/70/95/387257095.db2.gz XHOYQPQHFONUTH-SUZMYJTESA-N 2 2 238.400 2.705 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCCNc2ccccc21 ZINC000423381191 387262272 /nfs/dbraw/zinc/26/22/72/387262272.db2.gz NODCLRQMZAMXAR-DOMZBBRYSA-N 2 2 247.386 2.521 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000360330366 387265760 /nfs/dbraw/zinc/26/57/60/387265760.db2.gz TZJMTALXLLIINY-NFAWXSAZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1)C1CC1 ZINC000360330366 387265765 /nfs/dbraw/zinc/26/57/65/387265765.db2.gz TZJMTALXLLIINY-NFAWXSAZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(CC)s1 ZINC000423387089 387270590 /nfs/dbraw/zinc/27/05/90/387270590.db2.gz SJNKAHNGNQHUTJ-GHMZBOCLSA-N 2 2 240.416 2.959 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000423387629 387271698 /nfs/dbraw/zinc/27/16/98/387271698.db2.gz SRFMDLLEVUJTHF-CHWSQXEVSA-N 2 2 220.360 2.644 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000423389041 387273843 /nfs/dbraw/zinc/27/38/43/387273843.db2.gz UUSFVNWROADKGJ-RISCZKNCSA-N 2 2 238.350 2.864 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000423392053 387276082 /nfs/dbraw/zinc/27/60/82/387276082.db2.gz XHUNCEKZJJSLKZ-ZIAGYGMSSA-N 2 2 234.387 2.952 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC[C@@H](F)C3)n2c1 ZINC000336493452 387317783 /nfs/dbraw/zinc/31/77/83/387317783.db2.gz YEUSZGHWPKNPQZ-VXGBXAGGSA-N 2 2 247.317 2.623 20 0 BFADLP C[NH2+][C@@H](C)C[NH2+][C@@H](C)c1ccccc1SC ZINC000423392066 387276738 /nfs/dbraw/zinc/27/67/38/387276738.db2.gz OAQPFAFZQABXMB-QWRGUYRKSA-N 2 2 238.400 2.667 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423394024 387279629 /nfs/dbraw/zinc/27/96/29/387279629.db2.gz ZGWDFWBVKDZOJJ-NXEZZACHSA-N 2 2 242.313 2.613 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C(C)(C)C ZINC000423430754 387281186 /nfs/dbraw/zinc/28/11/86/387281186.db2.gz QCWLZRGJIMUAEA-IUODEOHRSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)[C@H]1C[C@H]1C ZINC000423437956 387288681 /nfs/dbraw/zinc/28/86/81/387288681.db2.gz USAMYEVOFSXOOL-AVRGHOLYSA-N 2 2 244.382 2.508 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C1(C)CC1 ZINC000423442581 387292284 /nfs/dbraw/zinc/29/22/84/387292284.db2.gz WUNLMTGZAOEIAJ-IUODEOHRSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000353933878 387302432 /nfs/dbraw/zinc/30/24/32/387302432.db2.gz WTQUVOCCWCCBAA-NEPJUHHUSA-N 2 2 249.402 2.932 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1Cl ZINC000423456973 387304764 /nfs/dbraw/zinc/30/47/64/387304764.db2.gz FCCPLGDHFLFOLK-ZJUUUORDSA-N 2 2 226.751 2.728 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000423459100 387305996 /nfs/dbraw/zinc/30/59/96/387305996.db2.gz HPSFBCVVEUUWNQ-ONGXEEELSA-N 2 2 249.383 2.684 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](CC)c1ccc(F)cc1F ZINC000423458183 387306194 /nfs/dbraw/zinc/30/61/94/387306194.db2.gz GNRADDCNSUXTPW-MFKMUULPSA-N 2 2 242.313 2.743 20 0 BFADLP CCc1ccc([C@H]([NH2+][C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000261552051 387309094 /nfs/dbraw/zinc/30/90/94/387309094.db2.gz MBSCLLRUVGNSQQ-JKSUJKDBSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC000423542259 387366680 /nfs/dbraw/zinc/36/66/80/387366680.db2.gz AQLZPICKEAJPJV-DVOMOZLQSA-N 2 2 244.382 2.967 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643503021 387368341 /nfs/dbraw/zinc/36/83/41/387368341.db2.gz YVIDVFIKDHJWQS-WWGRRREGSA-N 2 2 244.382 2.967 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1 ZINC000423551682 387373891 /nfs/dbraw/zinc/37/38/91/387373891.db2.gz JJIRRJSANCCXMK-ZFWWWQNUSA-N 2 2 232.371 2.788 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000423566329 387377368 /nfs/dbraw/zinc/37/73/68/387377368.db2.gz UCOIXDOWFZFJCO-LSDHHAIUSA-N 2 2 232.371 2.869 20 0 BFADLP CCC[N@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000162225118 387331215 /nfs/dbraw/zinc/33/12/15/387331215.db2.gz GILXVEFEPIGKFT-UHFFFAOYSA-N 2 2 243.354 2.795 20 0 BFADLP CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1 ZINC000162225118 387331221 /nfs/dbraw/zinc/33/12/21/387331221.db2.gz GILXVEFEPIGKFT-UHFFFAOYSA-N 2 2 243.354 2.795 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(C)o1)C1CCC1 ZINC000423486560 387334104 /nfs/dbraw/zinc/33/41/04/387334104.db2.gz ZOEBDGZIIFWZRL-TZMCWYRMSA-N 2 2 236.359 2.756 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CC[C@@H](C)F ZINC000354201729 387343143 /nfs/dbraw/zinc/34/31/43/387343143.db2.gz YAWGZQPQGDFBKW-GFCCVEGCSA-N 2 2 224.323 2.660 20 0 BFADLP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643500878 387347189 /nfs/dbraw/zinc/34/71/89/387347189.db2.gz DICTYSBAZMFQPF-ZFWWWQNUSA-N 2 2 248.345 2.545 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)CC ZINC000423515308 387351123 /nfs/dbraw/zinc/35/11/23/387351123.db2.gz XIRQTPZKFWITOS-BXUZGUMPSA-N 2 2 220.360 2.637 20 0 BFADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc2c(c1)CCC2 ZINC000643506328 387457745 /nfs/dbraw/zinc/45/77/45/387457745.db2.gz SBOGGCGZMQUITQ-LBPRGKRZSA-N 2 2 244.382 2.578 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000643506341 387459846 /nfs/dbraw/zinc/45/98/46/387459846.db2.gz SIWPPATXTQSGOR-ZDUSSCGKSA-N 2 2 232.371 2.706 20 0 BFADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(F)cc1 ZINC000643506334 387460098 /nfs/dbraw/zinc/46/00/98/387460098.db2.gz SFXMHAQXNHKMOE-AWEZNQCLSA-N 2 2 236.334 2.618 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H]1CCC1(C)C)CCC2 ZINC000336575602 387398906 /nfs/dbraw/zinc/39/89/06/387398906.db2.gz KFCUAVSUFGYHOK-STQMWFEESA-N 2 2 247.386 2.847 20 0 BFADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1cccs1 ZINC000643506485 387460716 /nfs/dbraw/zinc/46/07/16/387460716.db2.gz YLEDJZNFBSKBHH-NSHDSACASA-N 2 2 224.373 2.541 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@H]1F ZINC000354657156 387412934 /nfs/dbraw/zinc/41/29/34/387412934.db2.gz PLHSZJKDVUIKFH-ZIAGYGMSSA-N 2 2 236.334 2.803 20 0 BFADLP CC(C)CCC[NH2+][C@@H](CC(C)C)C[NH+](C)C ZINC000165219100 387518986 /nfs/dbraw/zinc/51/89/86/387518986.db2.gz SMCQIXCKOOAEGJ-AWEZNQCLSA-N 2 2 228.424 2.989 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C1CC1 ZINC000300418967 387520528 /nfs/dbraw/zinc/52/05/28/387520528.db2.gz JPLUZJBQXBYOFV-UMVBOHGHSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C)C1CC1 ZINC000300418967 387520529 /nfs/dbraw/zinc/52/05/29/387520529.db2.gz JPLUZJBQXBYOFV-UMVBOHGHSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[NH+](C)C)[C@H](C)C2 ZINC000352725817 387462707 /nfs/dbraw/zinc/46/27/07/387462707.db2.gz RAVIPHLPFINYKU-DVOMOZLQSA-N 2 2 246.398 2.768 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC[NH2+]C2CC2)cc1C ZINC000643506134 387466692 /nfs/dbraw/zinc/46/66/92/387466692.db2.gz LLVVJBSNYSCYLT-CYBMUJFWSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000304405700 387475202 /nfs/dbraw/zinc/47/52/02/387475202.db2.gz OVUJAIXUUZWCCR-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000304405700 387475207 /nfs/dbraw/zinc/47/52/07/387475207.db2.gz OVUJAIXUUZWCCR-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccsc1 ZINC000643508032 387481700 /nfs/dbraw/zinc/48/17/00/387481700.db2.gz CBYWMCALEZIXRV-LBPRGKRZSA-N 2 2 224.373 2.541 20 0 BFADLP CC(C)CCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000122152261 387487377 /nfs/dbraw/zinc/48/73/77/387487377.db2.gz JBSZZTOEYHARIE-QWHCGFSZSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)CCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000122152261 387487382 /nfs/dbraw/zinc/48/73/82/387487382.db2.gz JBSZZTOEYHARIE-QWHCGFSZSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](C[NH2+]CC1CCCCC1)[N@H+](C)C1CC1 ZINC000122193366 387490115 /nfs/dbraw/zinc/49/01/15/387490115.db2.gz RGKXQFMLCOBHQI-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+]CC1CCCCC1)[N@@H+](C)C1CC1 ZINC000122193366 387490121 /nfs/dbraw/zinc/49/01/21/387490121.db2.gz RGKXQFMLCOBHQI-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000536861912 387584816 /nfs/dbraw/zinc/58/48/16/387584816.db2.gz FVGIJKDFEIZNIH-ZFWWWQNUSA-N 2 2 240.435 2.987 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000536861912 387584817 /nfs/dbraw/zinc/58/48/17/387584817.db2.gz FVGIJKDFEIZNIH-ZFWWWQNUSA-N 2 2 240.435 2.987 20 0 BFADLP C[C@H](C[NH2+]CCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000313264052 387631167 /nfs/dbraw/zinc/63/11/67/387631167.db2.gz MRONQXKPLJKRBC-CYBMUJFWSA-N 2 2 249.402 2.769 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000422728342 387638137 /nfs/dbraw/zinc/63/81/37/387638137.db2.gz JBWWJWQPLCOGLC-RKDXNWHRSA-N 2 2 244.791 2.804 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000422728328 387638637 /nfs/dbraw/zinc/63/86/37/387638637.db2.gz JBWWJWQPLCOGLC-BDAKNGLRSA-N 2 2 244.791 2.804 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)s1 ZINC000422728340 387638682 /nfs/dbraw/zinc/63/86/82/387638682.db2.gz JBWWJWQPLCOGLC-IUCAKERBSA-N 2 2 244.791 2.804 20 0 BFADLP CC[NH+]1CCC([N@H+](C)Cc2cccs2)CC1 ZINC000125282597 387649452 /nfs/dbraw/zinc/64/94/52/387649452.db2.gz IAASUBMLGYAZSI-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP CC[NH+]1CCC([N@@H+](C)Cc2cccs2)CC1 ZINC000125282597 387649455 /nfs/dbraw/zinc/64/94/55/387649455.db2.gz IAASUBMLGYAZSI-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP CC(C)CC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367789853 387751637 /nfs/dbraw/zinc/75/16/37/387751637.db2.gz DDEKEHMXFNVJOT-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)CC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367789853 387751644 /nfs/dbraw/zinc/75/16/44/387751644.db2.gz DDEKEHMXFNVJOT-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)[C@H]1CC12CC2 ZINC000527845390 387753339 /nfs/dbraw/zinc/75/33/39/387753339.db2.gz CVLQLIUCMPSTTE-MELADBBJSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)[C@H]1CC12CC2 ZINC000527845390 387753347 /nfs/dbraw/zinc/75/33/47/387753347.db2.gz CVLQLIUCMPSTTE-MELADBBJSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H](F)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000440794020 387702970 /nfs/dbraw/zinc/70/29/70/387702970.db2.gz YFJKTHLMQONVBL-FRRDWIJNSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000440794020 387702973 /nfs/dbraw/zinc/70/29/73/387702973.db2.gz YFJKTHLMQONVBL-FRRDWIJNSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000440794020 387702976 /nfs/dbraw/zinc/70/29/76/387702976.db2.gz YFJKTHLMQONVBL-FRRDWIJNSA-N 2 2 230.371 2.539 20 0 BFADLP CC[C@H](F)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000440794020 387702980 /nfs/dbraw/zinc/70/29/80/387702980.db2.gz YFJKTHLMQONVBL-FRRDWIJNSA-N 2 2 230.371 2.539 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000527786371 387713215 /nfs/dbraw/zinc/71/32/15/387713215.db2.gz DXOMUIMBEFINDP-RBSFLKMASA-N 2 2 248.414 2.948 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000527786371 387713220 /nfs/dbraw/zinc/71/32/20/387713220.db2.gz DXOMUIMBEFINDP-RBSFLKMASA-N 2 2 248.414 2.948 20 0 BFADLP CC(C)C(C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C(C)C ZINC000377397863 387713733 /nfs/dbraw/zinc/71/37/33/387713733.db2.gz IKDMHGUPHZFXAV-GFCCVEGCSA-N 2 2 249.402 2.785 20 0 BFADLP CC(C)C(C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C(C)C ZINC000377397863 387713736 /nfs/dbraw/zinc/71/37/36/387713736.db2.gz IKDMHGUPHZFXAV-GFCCVEGCSA-N 2 2 249.402 2.785 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527805163 387729071 /nfs/dbraw/zinc/72/90/71/387729071.db2.gz DLOGNGAYYDJUJW-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000527805163 387729076 /nfs/dbraw/zinc/72/90/76/387729076.db2.gz DLOGNGAYYDJUJW-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527876927 387767008 /nfs/dbraw/zinc/76/70/08/387767008.db2.gz WALQXPQCDJGZDN-OCCSQVGLSA-N 2 2 230.355 2.711 20 0 BFADLP c1cn(CC[NH2+]C2CCC3(CCCC3)CC2)c[nH+]1 ZINC000129347623 387767983 /nfs/dbraw/zinc/76/79/83/387767983.db2.gz NJFYRFTZSHXRRM-UHFFFAOYSA-N 2 2 247.386 2.976 20 0 BFADLP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528339 387768039 /nfs/dbraw/zinc/76/80/39/387768039.db2.gz HGBMTKJPWOFPMR-GHMZBOCLSA-N 2 2 238.400 2.796 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000643528917 387772607 /nfs/dbraw/zinc/77/26/07/387772607.db2.gz QVBORHBLUXOMHG-NEPJUHHUSA-N 2 2 244.338 2.944 20 0 BFADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@@H](C)[NH3+] ZINC000643528987 387772694 /nfs/dbraw/zinc/77/26/94/387772694.db2.gz SHXDTIJOGURUST-BDAKNGLRSA-N 2 2 241.404 2.573 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000643528920 387773080 /nfs/dbraw/zinc/77/30/80/387773080.db2.gz QVBORHBLUXOMHG-VXGBXAGGSA-N 2 2 244.338 2.944 20 0 BFADLP Cc1ccc([C@@H]([NH2+]C[C@H](C)[NH3+])C2CCCC2)o1 ZINC000643529137 387774711 /nfs/dbraw/zinc/77/47/11/387774711.db2.gz VTTSTVYAVPJAKM-HZMBPMFUSA-N 2 2 236.359 2.756 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH3+])c1cc(F)ccc1F ZINC000643528020 387775323 /nfs/dbraw/zinc/77/53/23/387775323.db2.gz XJQXWHNVDFHJSX-NOZJJQNGSA-N 2 2 242.313 2.599 20 0 BFADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)[NH3+])C2CCCC2)o1 ZINC000643529140 387775344 /nfs/dbraw/zinc/77/53/44/387775344.db2.gz VTTSTVYAVPJAKM-YGRLFVJLSA-N 2 2 236.359 2.756 20 0 BFADLP CC[C@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527944861 387782200 /nfs/dbraw/zinc/78/22/00/387782200.db2.gz DEPYIQHLHSTKKE-GXTWGEPZSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527944861 387782205 /nfs/dbraw/zinc/78/22/05/387782205.db2.gz DEPYIQHLHSTKKE-GXTWGEPZSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422980703 387792026 /nfs/dbraw/zinc/79/20/26/387792026.db2.gz QQGBZOIALORRFE-ZLAMNEIASA-N 2 2 244.382 2.820 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000422951573 387806912 /nfs/dbraw/zinc/80/69/12/387806912.db2.gz ZBTRBRIAFULPIU-TUAOUCFPSA-N 2 2 238.400 2.929 20 0 BFADLP C([NH2+][C@H]1CCCC12CC2)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528003045 387807880 /nfs/dbraw/zinc/80/78/80/387807880.db2.gz RLQSNYFVIVDLFQ-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@H]1CCCC12CC2)[C@H]1CC[N@H+]1C1CCCC1 ZINC000528003045 387807886 /nfs/dbraw/zinc/80/78/86/387807886.db2.gz RLQSNYFVIVDLFQ-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH3+])c1cccc(Cl)c1F ZINC000643526628 387758723 /nfs/dbraw/zinc/75/87/23/387758723.db2.gz CNHYGJNUIFGFTH-KWQFWETISA-N 2 2 244.741 2.867 20 0 BFADLP CC[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000129044035 387761133 /nfs/dbraw/zinc/76/11/33/387761133.db2.gz JGFFQAGKQUZUGV-LSDHHAIUSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528010251 387822466 /nfs/dbraw/zinc/82/24/66/387822466.db2.gz JLBYOESRFPKBFQ-TZMCWYRMSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528010251 387822470 /nfs/dbraw/zinc/82/24/70/387822470.db2.gz JLBYOESRFPKBFQ-TZMCWYRMSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(C)cc1 ZINC000054764636 387829423 /nfs/dbraw/zinc/82/94/23/387829423.db2.gz INRIYWMFXLAUGB-AWEZNQCLSA-N 2 2 229.327 2.959 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(C)CCC1 ZINC000432827184 387829705 /nfs/dbraw/zinc/82/97/05/387829705.db2.gz CNTXPLFVLKGYTL-KGLIPLIRSA-N 2 2 236.403 2.735 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1(C)CCC1 ZINC000432827184 387829708 /nfs/dbraw/zinc/82/97/08/387829708.db2.gz CNTXPLFVLKGYTL-KGLIPLIRSA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(C)CCC1 ZINC000432827184 387829712 /nfs/dbraw/zinc/82/97/12/387829712.db2.gz CNTXPLFVLKGYTL-KGLIPLIRSA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1(C)CCC1 ZINC000432827184 387829717 /nfs/dbraw/zinc/82/97/17/387829717.db2.gz CNTXPLFVLKGYTL-KGLIPLIRSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000424174898 387879397 /nfs/dbraw/zinc/87/93/97/387879397.db2.gz PPPGYUXIBMGGAP-ZIEJDFEHSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000424174898 387879404 /nfs/dbraw/zinc/87/94/04/387879404.db2.gz PPPGYUXIBMGGAP-ZIEJDFEHSA-N 2 2 248.414 2.637 20 0 BFADLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc(C2CC2)ccc1F ZINC000423145260 387923609 /nfs/dbraw/zinc/92/36/09/387923609.db2.gz JWCXMHZLXXZCNI-LSDHHAIUSA-N 2 2 248.345 2.673 20 0 BFADLP C[C@@H]1CC[N@@H+]([C@@H]2C=CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245572118 387961649 /nfs/dbraw/zinc/96/16/49/387961649.db2.gz GWIABKNBDOWRDK-RBSFLKMASA-N 2 2 245.370 2.875 20 0 BFADLP C[C@@H]1CC[N@H+]([C@@H]2C=CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000245572118 387961654 /nfs/dbraw/zinc/96/16/54/387961654.db2.gz GWIABKNBDOWRDK-RBSFLKMASA-N 2 2 245.370 2.875 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423178021 387964605 /nfs/dbraw/zinc/96/46/05/387964605.db2.gz BLPZDZPVOBOFGV-CHWSQXEVSA-N 2 2 238.400 2.931 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423178636 387964893 /nfs/dbraw/zinc/96/48/93/387964893.db2.gz CHBIPCQMYSGXSP-NFAWXSAZSA-N 2 2 244.382 2.885 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H](C)C2 ZINC000423185481 387969558 /nfs/dbraw/zinc/96/95/58/387969558.db2.gz JOACOZKOOLSHAZ-DUVNUKRYSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]C1)[C@H](C)C2 ZINC000423185482 387970521 /nfs/dbraw/zinc/97/05/21/387970521.db2.gz JOACOZKOOLSHAZ-IVMMDQJWSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2)o1 ZINC000423186495 387970869 /nfs/dbraw/zinc/97/08/69/387970869.db2.gz OLZXIXRJAFMPLS-NSHDSACASA-N 2 2 230.311 2.556 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCC1 ZINC000645813286 387980213 /nfs/dbraw/zinc/98/02/13/387980213.db2.gz BIAVOFMICQRYSP-CABCVRRESA-N 2 2 234.387 2.655 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCC1 ZINC000645813286 387980221 /nfs/dbraw/zinc/98/02/21/387980221.db2.gz BIAVOFMICQRYSP-CABCVRRESA-N 2 2 234.387 2.655 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCC1 ZINC000645813286 387980227 /nfs/dbraw/zinc/98/02/27/387980227.db2.gz BIAVOFMICQRYSP-CABCVRRESA-N 2 2 234.387 2.655 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCC1 ZINC000645813286 387980232 /nfs/dbraw/zinc/98/02/32/387980232.db2.gz BIAVOFMICQRYSP-CABCVRRESA-N 2 2 234.387 2.655 20 0 BFADLP Fc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423193876 387980574 /nfs/dbraw/zinc/98/05/74/387980574.db2.gz QYIXTXZFQWPNGL-LSDHHAIUSA-N 2 2 248.345 2.618 20 0 BFADLP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CC[NH3+] ZINC000423188753 387973904 /nfs/dbraw/zinc/97/39/04/387973904.db2.gz QGTJPNPLZOSASL-NSHDSACASA-N 2 2 246.354 2.913 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453063020 387976521 /nfs/dbraw/zinc/97/65/21/387976521.db2.gz GLVDCRHTMQUFIW-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453063020 387976524 /nfs/dbraw/zinc/97/65/24/387976524.db2.gz GLVDCRHTMQUFIW-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H](C1CC1)C1CCCC1 ZINC000453063814 387976982 /nfs/dbraw/zinc/97/69/82/387976982.db2.gz VSWTZYXYZCRIIY-AWEZNQCLSA-N 2 2 238.419 2.885 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H](C1CCC1)C1CCCCC1 ZINC000424358036 387988112 /nfs/dbraw/zinc/98/81/12/387988112.db2.gz XCYJLBJBIKYLOA-OAHLLOKOSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)Cc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)c1 ZINC000423205559 387992295 /nfs/dbraw/zinc/99/22/95/387992295.db2.gz CAAYXHZILUCVQJ-CJNGLKHVSA-N 2 2 246.398 2.898 20 0 BFADLP CCCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000423207795 387993694 /nfs/dbraw/zinc/99/36/94/387993694.db2.gz SGZQJIFOKHZFEW-LSDHHAIUSA-N 2 2 232.371 2.869 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1C(C)(C)C ZINC000423211058 387995511 /nfs/dbraw/zinc/99/55/11/387995511.db2.gz XTTHOMAKDRAWHM-OLZOCXBDSA-N 2 2 246.398 2.997 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423196281 387982178 /nfs/dbraw/zinc/98/21/78/387982178.db2.gz VCFYUGFRTDZMGV-NWDGAFQWSA-N 2 2 224.373 2.541 20 0 BFADLP Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1C ZINC000423210789 387995680 /nfs/dbraw/zinc/99/56/80/387995680.db2.gz XMJQBNRWRCBSPN-KBPBESRZSA-N 2 2 232.371 2.624 20 0 BFADLP Cc1ccc(C)c2c1CCC[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000423215390 387998167 /nfs/dbraw/zinc/99/81/67/387998167.db2.gz NQXJRIBEFALHCC-DZGCQCFKSA-N 2 2 244.382 2.632 20 0 BFADLP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000423219847 387998915 /nfs/dbraw/zinc/99/89/15/387998915.db2.gz WUZDMELKQXRBIF-KCXAZCMYSA-N 2 2 244.382 2.823 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)Cn1cc[nH+]c1 ZINC000245982729 387999214 /nfs/dbraw/zinc/99/92/14/387999214.db2.gz YURCXDIRLKORHC-BARDWOONSA-N 2 2 249.402 2.934 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000423222496 388004117 /nfs/dbraw/zinc/00/41/17/388004117.db2.gz BHXBRTLUDOOTNK-MRVPVSSYSA-N 2 2 247.169 2.863 20 0 BFADLP CC[C@@H]([NH2+]CC[NH2+]C)c1ccc(Cl)cc1 ZINC000423223014 388004229 /nfs/dbraw/zinc/00/42/29/388004229.db2.gz DMTYKWBUQRBUNI-GFCCVEGCSA-N 2 2 226.751 2.600 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](CC(C)C)c1cccs1 ZINC000423224923 388007566 /nfs/dbraw/zinc/00/75/66/388007566.db2.gz KOUZOJFBAAASFJ-NSHDSACASA-N 2 2 226.389 2.644 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423226186 388009467 /nfs/dbraw/zinc/00/94/67/388009467.db2.gz PRLCMVFCYCCXKM-LBPRGKRZSA-N 2 2 234.387 2.854 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000423226185 388009777 /nfs/dbraw/zinc/00/97/77/388009777.db2.gz PRLCMVFCYCCXKM-GFCCVEGCSA-N 2 2 234.387 2.854 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000081623900 388010995 /nfs/dbraw/zinc/01/09/95/388010995.db2.gz ZYQPHFYTNWRBNK-CABCVRRESA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCC2 ZINC000423241691 388023838 /nfs/dbraw/zinc/02/38/38/388023838.db2.gz VFASNZMTINKJQS-HOCLYGCPSA-N 2 2 244.382 2.714 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](C)c1ccc(F)c(Cl)c1 ZINC000423241416 388024382 /nfs/dbraw/zinc/02/43/82/388024382.db2.gz IBXICTHRPFEFHO-VIFPVBQESA-N 2 2 244.741 2.739 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000246148472 388014384 /nfs/dbraw/zinc/01/43/84/388014384.db2.gz KVTSSUHHMFCBBO-RDBSUJKOSA-N 2 2 235.375 2.688 20 0 BFADLP CC1(C)Cc2occc2[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C1 ZINC000423230496 388015423 /nfs/dbraw/zinc/01/54/23/388015423.db2.gz DTEJYWFYQSLFIJ-WCQYABFASA-N 2 2 248.370 2.635 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000423230914 388015518 /nfs/dbraw/zinc/01/55/18/388015518.db2.gz FRJBSUPIXPAKIB-UKRRQHHQSA-N 2 2 232.371 2.706 20 0 BFADLP C[NH2+]CC[NH2+][C@H](C)[C@@H](C)c1ccc(Cl)cc1 ZINC000423235015 388018187 /nfs/dbraw/zinc/01/81/87/388018187.db2.gz AHSFCIYTAJENOX-GHMZBOCLSA-N 2 2 240.778 2.641 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc2c(c1)CCC2 ZINC000423235532 388018382 /nfs/dbraw/zinc/01/83/82/388018382.db2.gz NGZQAOXVNDPJNH-LRDDRELGSA-N 2 2 244.382 2.578 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1cccc(C)c1C ZINC000423235391 388019000 /nfs/dbraw/zinc/01/90/00/388019000.db2.gz ARWXDSGJIOFANO-CYBMUJFWSA-N 2 2 220.360 2.564 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccsc1 ZINC000423234411 388019282 /nfs/dbraw/zinc/01/92/82/388019282.db2.gz LTCYFSOPGNNWJK-NWDGAFQWSA-N 2 2 224.373 2.541 20 0 BFADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccco1 ZINC000423236510 388021489 /nfs/dbraw/zinc/02/14/89/388021489.db2.gz HJUQGJAPJBPHKK-WCQYABFASA-N 2 2 230.311 2.630 20 0 BFADLP C[C@H](Cc1ccoc1)[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000423239902 388023057 /nfs/dbraw/zinc/02/30/57/388023057.db2.gz BVCHIWPTESLSTA-DOMZBBRYSA-N 2 2 244.338 2.500 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1C[C@H](C)c2c1cccc2C ZINC000423252536 388032792 /nfs/dbraw/zinc/03/27/92/388032792.db2.gz XXDWJXYXYNRNQT-GXTWGEPZSA-N 2 2 232.371 2.742 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CCCc2c(C)ccc(C)c21 ZINC000423252208 388033840 /nfs/dbraw/zinc/03/38/40/388033840.db2.gz XLYKFWNNZMFACG-HNNXBMFYSA-N 2 2 246.398 2.880 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000423252663 388035207 /nfs/dbraw/zinc/03/52/07/388035207.db2.gz YASATBZBBRXKCY-IUODEOHRSA-N 2 2 232.371 2.855 20 0 BFADLP C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)[C@H]1CC1(C)C ZINC000423252654 388036088 /nfs/dbraw/zinc/03/60/88/388036088.db2.gz XZPDPOSRMRLXCS-IACUBPJLSA-N 2 2 232.371 2.711 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000423253464 388036105 /nfs/dbraw/zinc/03/61/05/388036105.db2.gz ZDNZQHHBRJONGS-CYBMUJFWSA-N 2 2 238.762 2.526 20 0 BFADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccccc1Cl ZINC000423259740 388038162 /nfs/dbraw/zinc/03/81/62/388038162.db2.gz FSODKBVEMFTXOL-ZWNOBZJWSA-N 2 2 240.778 2.974 20 0 BFADLP [NH3+][C@H](C[NH2+][C@H]1CCC12CCCC2)c1ccccc1 ZINC000423244197 388026272 /nfs/dbraw/zinc/02/62/72/388026272.db2.gz NHKZQGWKDQMNNF-CABCVRRESA-N 2 2 244.382 2.999 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)s1 ZINC000423242843 388026673 /nfs/dbraw/zinc/02/66/73/388026673.db2.gz VYSXPEPPVCMVFW-WDEREUQCSA-N 2 2 238.400 2.713 20 0 BFADLP c1cn(CC[NH2+]C2CC3(C2)CCCCC3)c[nH+]1 ZINC000421332527 388027273 /nfs/dbraw/zinc/02/72/73/388027273.db2.gz MDZGAUBGWKCFJP-UHFFFAOYSA-N 2 2 233.359 2.586 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccccc1SC ZINC000423245515 388028612 /nfs/dbraw/zinc/02/86/12/388028612.db2.gz YMRANIFQMZMKAY-LLVKDONJSA-N 2 2 238.400 2.669 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000423244669 388028951 /nfs/dbraw/zinc/02/89/51/388028951.db2.gz LRUWBKCRYUVLLO-LLVKDONJSA-N 2 2 238.400 2.669 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CCCc2ccc(C)cc21 ZINC000423247425 388029456 /nfs/dbraw/zinc/02/94/56/388029456.db2.gz PGTNTMWXWQZVNL-OAHLLOKOSA-N 2 2 232.371 2.572 20 0 BFADLP C[NH2+]CC[NH2+][C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000423247417 388029746 /nfs/dbraw/zinc/02/97/46/388029746.db2.gz PFBOJUAFNAEPON-LSDHHAIUSA-N 2 2 232.371 2.680 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000423247424 388029789 /nfs/dbraw/zinc/02/97/89/388029789.db2.gz PGTNTMWXWQZVNL-HNNXBMFYSA-N 2 2 232.371 2.572 20 0 BFADLP C[NH2+]CC[NH2+][C@@H]1C[C@H](C(C)C)c2ccccc21 ZINC000423247416 388029830 /nfs/dbraw/zinc/02/98/30/388029830.db2.gz PFBOJUAFNAEPON-HUUCEWRRSA-N 2 2 232.371 2.680 20 0 BFADLP CCc1cccnc1[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423272153 388051255 /nfs/dbraw/zinc/05/12/55/388051255.db2.gz YUNYXGXWYUBYFA-JSGCOSHPSA-N 2 2 249.402 2.668 20 0 BFADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccccc1Cl ZINC000423274747 388055069 /nfs/dbraw/zinc/05/50/69/388055069.db2.gz KYKVALFBMAXWMZ-NOZJJQNGSA-N 2 2 238.762 2.728 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)o1 ZINC000423278162 388059145 /nfs/dbraw/zinc/05/91/45/388059145.db2.gz QQXJMMPOLPZTTM-RYUDHWBXSA-N 2 2 224.348 2.612 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000453379526 388063965 /nfs/dbraw/zinc/06/39/65/388063965.db2.gz YSKSAAXJMZCJLA-ZOWXZIJZSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000453379526 388063967 /nfs/dbraw/zinc/06/39/67/388063967.db2.gz YSKSAAXJMZCJLA-ZOWXZIJZSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1F ZINC000423286330 388070553 /nfs/dbraw/zinc/07/05/53/388070553.db2.gz GPHZIDSAQNQGAR-GFCCVEGCSA-N 2 2 224.323 2.604 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000084340586 388076549 /nfs/dbraw/zinc/07/65/49/388076549.db2.gz DFPHJTWFNBZSAJ-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CC([NH2+]CC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000084469127 388078274 /nfs/dbraw/zinc/07/82/74/388078274.db2.gz BWMKPWJIINVLPP-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)C[C@@H]1C ZINC000084982991 388082375 /nfs/dbraw/zinc/08/23/75/388082375.db2.gz VEOPCMPDNUQXLZ-HZSPNIEDSA-N 2 2 235.375 2.688 20 0 BFADLP C(C1CCCC1)[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000085452354 388089053 /nfs/dbraw/zinc/08/90/53/388089053.db2.gz XNERKHHJVILWGO-UHFFFAOYSA-N 2 2 236.403 2.785 20 0 BFADLP C(C1CCCC1)[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000085452354 388089056 /nfs/dbraw/zinc/08/90/56/388089056.db2.gz XNERKHHJVILWGO-UHFFFAOYSA-N 2 2 236.403 2.785 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000453600099 388089998 /nfs/dbraw/zinc/08/99/98/388089998.db2.gz CESOGNLJVVICMY-CABCVRRESA-N 2 2 246.398 2.720 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000086727031 388107840 /nfs/dbraw/zinc/10/78/40/388107840.db2.gz PVBGFLSNWNDYAS-QWHCGFSZSA-N 2 2 238.762 2.743 20 0 BFADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccn1 ZINC000423266419 388045544 /nfs/dbraw/zinc/04/55/44/388045544.db2.gz RYPMYXKUFKJQTQ-SWLSCSKDSA-N 2 2 247.386 2.640 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000449196440 388156211 /nfs/dbraw/zinc/15/62/11/388156211.db2.gz SELDMNIMOBJPGS-VHDGCEQUSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000449196440 388156212 /nfs/dbraw/zinc/15/62/12/388156212.db2.gz SELDMNIMOBJPGS-VHDGCEQUSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C)[NH+](C)C ZINC000449227227 388159614 /nfs/dbraw/zinc/15/96/14/388159614.db2.gz TXKMXWNNWPHKOR-SYQHCUMBSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CC[C@H]1CC[C@H]([NH2+]CC[NH+](C)C)C1 ZINC000449268904 388164321 /nfs/dbraw/zinc/16/43/21/388164321.db2.gz KGZKXVFDMXGAQQ-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000449377144 388186698 /nfs/dbraw/zinc/18/66/98/388186698.db2.gz RHPCPDZPZLRMIJ-DOMZBBRYSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000449377144 388186699 /nfs/dbraw/zinc/18/66/99/388186699.db2.gz RHPCPDZPZLRMIJ-DOMZBBRYSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000261527987 135153061 /nfs/dbraw/zinc/15/30/61/135153061.db2.gz IKIFYDSCWPGKRK-PRJMDXOYSA-N 2 2 232.780 2.788 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646139431 388154678 /nfs/dbraw/zinc/15/46/78/388154678.db2.gz SXGJGELKUDMMML-HNNXBMFYSA-N 2 2 247.386 2.846 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@H]1C1CCC1 ZINC000646139431 388154680 /nfs/dbraw/zinc/15/46/80/388154680.db2.gz SXGJGELKUDMMML-HNNXBMFYSA-N 2 2 247.386 2.846 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@H]1C)C1CCCC1 ZINC000449186099 388155141 /nfs/dbraw/zinc/15/51/41/388155141.db2.gz HILDDICTQOCSPU-VHDGCEQUSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@H]1C)C1CCCC1 ZINC000449186099 388155143 /nfs/dbraw/zinc/15/51/43/388155143.db2.gz HILDDICTQOCSPU-VHDGCEQUSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=C[C@@H](C)C[C@H](C[NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000449558001 388230456 /nfs/dbraw/zinc/23/04/56/388230456.db2.gz UJUFDEQAAQAIAA-XBFCOCLRSA-N 2 2 224.392 2.519 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000449554110 388230596 /nfs/dbraw/zinc/23/05/96/388230596.db2.gz AJABRQXPMWSJNN-MELADBBJSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1cc[nH+]c(N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000290691697 388368356 /nfs/dbraw/zinc/36/83/56/388368356.db2.gz MMWOMFOKKKYCKX-GFCCVEGCSA-N 2 2 221.348 2.531 20 0 BFADLP Cc1cc[nH+]c(N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000290691697 388368359 /nfs/dbraw/zinc/36/83/59/388368359.db2.gz MMWOMFOKKKYCKX-GFCCVEGCSA-N 2 2 221.348 2.531 20 0 BFADLP c1ccc([C@H](CC2CC2)[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000519382601 256647189 /nfs/dbraw/zinc/64/71/89/256647189.db2.gz MFLWLPJDVMXDGG-CVEARBPZSA-N 2 2 244.382 2.869 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CC1 ZINC000324185144 388379852 /nfs/dbraw/zinc/37/98/52/388379852.db2.gz VTPUGVWBJVMERV-LNSITVRQSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CC1 ZINC000324185144 388379854 /nfs/dbraw/zinc/37/98/54/388379854.db2.gz VTPUGVWBJVMERV-LNSITVRQSA-N 2 2 236.403 2.636 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165163775 388392667 /nfs/dbraw/zinc/39/26/67/388392667.db2.gz NQYAMVZHKZDJFI-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP c1cn(CC[NH2+][C@H]2CCCC23CCCC3)c[nH+]1 ZINC000336901522 388441852 /nfs/dbraw/zinc/44/18/52/388441852.db2.gz SUTOLJSXSRRMET-ZDUSSCGKSA-N 2 2 233.359 2.586 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCC1CCCCC1 ZINC000308607812 388443546 /nfs/dbraw/zinc/44/35/46/388443546.db2.gz KLQIUPYNKOHYCG-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CC1CCCCCC1 ZINC000308606194 388445181 /nfs/dbraw/zinc/44/51/81/388445181.db2.gz CASSTAZGSMUMLK-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP C/C(Cl)=C\C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000528366627 388450508 /nfs/dbraw/zinc/45/05/08/388450508.db2.gz HUNCQOGGVLRSQU-LFYBBSHMSA-N 2 2 244.810 2.934 20 0 BFADLP C/C(Cl)=C\C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000528366627 388450511 /nfs/dbraw/zinc/45/05/11/388450511.db2.gz HUNCQOGGVLRSQU-LFYBBSHMSA-N 2 2 244.810 2.934 20 0 BFADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1ccc(Cl)s1 ZINC000335645086 388453179 /nfs/dbraw/zinc/45/31/79/388453179.db2.gz YPBIMSAHTZUQST-SCZZXKLOSA-N 2 2 244.791 2.632 20 0 BFADLP CCC[C@H]([NH2+]CCn1cc[nH+]c1)[C@@H]1CC1(C)C ZINC000397586368 388480988 /nfs/dbraw/zinc/48/09/88/388480988.db2.gz APTXRCAAUXOAQJ-STQMWFEESA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000309823858 388465331 /nfs/dbraw/zinc/46/53/31/388465331.db2.gz GWXGZPROFNFGFL-VXGBXAGGSA-N 2 2 226.408 2.598 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)C(C)(C)C ZINC000309823858 388465333 /nfs/dbraw/zinc/46/53/33/388465333.db2.gz GWXGZPROFNFGFL-VXGBXAGGSA-N 2 2 226.408 2.598 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@H+](CC)C[C@@H]1C)C(C)(C)C ZINC000310006920 388472891 /nfs/dbraw/zinc/47/28/91/388472891.db2.gz HAMZSMXEQOPYEM-XQQFMLRXSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[N@@H+](CC)C[C@@H]1C)C(C)(C)C ZINC000310006920 388472892 /nfs/dbraw/zinc/47/28/92/388472892.db2.gz HAMZSMXEQOPYEM-XQQFMLRXSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397592140 388482620 /nfs/dbraw/zinc/48/26/20/388482620.db2.gz KDOIFYUYLYOJHD-CHWSQXEVSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccs1 ZINC000034958080 388496191 /nfs/dbraw/zinc/49/61/91/388496191.db2.gz SZCWXEFGADUKAR-LLVKDONJSA-N 2 2 235.356 2.686 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397758703 388497031 /nfs/dbraw/zinc/49/70/31/388497031.db2.gz HGPMSMBFADSPPH-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000397762041 388497176 /nfs/dbraw/zinc/49/71/76/388497176.db2.gz IMZFCGYWVKHUQP-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CC2)C1 ZINC000397790769 388499320 /nfs/dbraw/zinc/49/93/20/388499320.db2.gz DAUVNABQCIXILY-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+]CC(C)(C)[NH+](C)C)[C@H]1CC1(C)C ZINC000397809319 388501281 /nfs/dbraw/zinc/50/12/81/388501281.db2.gz NYWYTUGBTKQYAU-NEPJUHHUSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CC2)c2ccccc21 ZINC000397827941 388503484 /nfs/dbraw/zinc/50/34/84/388503484.db2.gz BTEWOOCJDPIGSI-DOMZBBRYSA-N 2 2 244.382 2.919 20 0 BFADLP C[NH+](C)C1(C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000397834194 388504666 /nfs/dbraw/zinc/50/46/66/388504666.db2.gz DTRXUDLNZFMOJD-UHFFFAOYSA-N 2 2 244.382 2.748 20 0 BFADLP CCCC[C@@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000397991560 388514873 /nfs/dbraw/zinc/51/48/73/388514873.db2.gz XGTBAYKGEQUQDU-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C(\C)Cl)C1 ZINC000528397100 388518840 /nfs/dbraw/zinc/51/88/40/388518840.db2.gz SYSAGIUQNUJYPX-UWUHSAQLSA-N 2 2 244.810 2.793 20 0 BFADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C(\C)Cl)C1 ZINC000528397100 388518843 /nfs/dbraw/zinc/51/88/43/388518843.db2.gz SYSAGIUQNUJYPX-UWUHSAQLSA-N 2 2 244.810 2.793 20 0 BFADLP CC[NH+](CC)C[C@H]1CC[N@H+](C/C=C(/C)Cl)C1 ZINC000528397093 388519140 /nfs/dbraw/zinc/51/91/40/388519140.db2.gz SYSAGIUQNUJYPX-MVXISAMASA-N 2 2 244.810 2.793 20 0 BFADLP CC[NH+](CC)C[C@H]1CC[N@@H+](C/C=C(/C)Cl)C1 ZINC000528397093 388519141 /nfs/dbraw/zinc/51/91/41/388519141.db2.gz SYSAGIUQNUJYPX-MVXISAMASA-N 2 2 244.810 2.793 20 0 BFADLP C/C(Cl)=C\C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528397651 388519506 /nfs/dbraw/zinc/51/95/06/388519506.db2.gz RCXZOTDOKYJDFM-RGEGJOEESA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C\C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528397651 388519508 /nfs/dbraw/zinc/51/95/08/388519508.db2.gz RCXZOTDOKYJDFM-RGEGJOEESA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C\C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528397651 388519512 /nfs/dbraw/zinc/51/95/12/388519512.db2.gz RCXZOTDOKYJDFM-RGEGJOEESA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C\C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528397651 388519515 /nfs/dbraw/zinc/51/95/15/388519515.db2.gz RCXZOTDOKYJDFM-RGEGJOEESA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C\C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528414941 388521457 /nfs/dbraw/zinc/52/14/57/388521457.db2.gz ADCPBBLAMVJIBU-INJWIWPUSA-N 2 2 239.750 2.732 20 0 BFADLP C/C(Cl)=C\C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000528414941 388521459 /nfs/dbraw/zinc/52/14/59/388521459.db2.gz ADCPBBLAMVJIBU-INJWIWPUSA-N 2 2 239.750 2.732 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000245848550 388606441 /nfs/dbraw/zinc/60/64/41/388606441.db2.gz FMVFDHJDAUFFKI-UONOGXRCSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@@H]3CCC[C@H]32)c[nH+]1 ZINC000245848550 388606444 /nfs/dbraw/zinc/60/64/44/388606444.db2.gz FMVFDHJDAUFFKI-UONOGXRCSA-N 2 2 233.359 2.538 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCn1cc[nH+]c1 ZINC000245871788 388608674 /nfs/dbraw/zinc/60/86/74/388608674.db2.gz LIFKUAYQXJIERB-RBSFLKMASA-N 2 2 247.386 2.926 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCn1cc[nH+]c1 ZINC000245871788 388608676 /nfs/dbraw/zinc/60/86/76/388608676.db2.gz LIFKUAYQXJIERB-RBSFLKMASA-N 2 2 247.386 2.926 20 0 BFADLP c1cn(CCC[NH+]2CCCCC2)c(C2CC2)[nH+]1 ZINC000530129516 388613719 /nfs/dbraw/zinc/61/37/19/388613719.db2.gz LRUVALDZWVILGX-UHFFFAOYSA-N 2 2 233.359 2.637 20 0 BFADLP CC1=CC[C@H]([NH2+]CCCCn2cc[nH+]c2)CC1 ZINC000552085415 388668630 /nfs/dbraw/zinc/66/86/30/388668630.db2.gz BGQJTTQVOFPADF-AWEZNQCLSA-N 2 2 233.359 2.752 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCC1 ZINC000248199452 388674929 /nfs/dbraw/zinc/67/49/29/388674929.db2.gz YDTVCMIZNPVGPW-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CCC1 ZINC000248199452 388674932 /nfs/dbraw/zinc/67/49/32/388674932.db2.gz YDTVCMIZNPVGPW-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000248182539 388675081 /nfs/dbraw/zinc/67/50/81/388675081.db2.gz WQULEBLMHMAJBL-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000248182539 388675082 /nfs/dbraw/zinc/67/50/82/388675082.db2.gz WQULEBLMHMAJBL-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000248182540 388675663 /nfs/dbraw/zinc/67/56/63/388675663.db2.gz WQULEBLMHMAJBL-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000248182540 388675665 /nfs/dbraw/zinc/67/56/65/388675665.db2.gz WQULEBLMHMAJBL-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)[C@@H](C)c1ccccc1 ZINC000154533368 388626352 /nfs/dbraw/zinc/62/63/52/388626352.db2.gz UUQGKUUQITUMAM-YCPHGPKFSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)[C@@H](C)c1ccccc1 ZINC000154533368 388626354 /nfs/dbraw/zinc/62/63/54/388626354.db2.gz UUQGKUUQITUMAM-YCPHGPKFSA-N 2 2 246.398 2.862 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088208 388653275 /nfs/dbraw/zinc/65/32/75/388653275.db2.gz ZEAMWQRLJFRACW-ZDUSSCGKSA-N 2 2 228.424 2.987 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000530386852 388653282 /nfs/dbraw/zinc/65/32/82/388653282.db2.gz SBRJEODLIOEUMS-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000530386852 388653284 /nfs/dbraw/zinc/65/32/84/388653284.db2.gz SBRJEODLIOEUMS-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCCn1cc[nH+]c1 ZINC000552034347 388662309 /nfs/dbraw/zinc/66/23/09/388662309.db2.gz QCVCINJIBQXAIY-KBPBESRZSA-N 2 2 235.375 2.688 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000552043970 388663734 /nfs/dbraw/zinc/66/37/34/388663734.db2.gz IZGULKZATTYAPJ-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000552043970 388663735 /nfs/dbraw/zinc/66/37/35/388663735.db2.gz IZGULKZATTYAPJ-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@@H](CCC)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000223194990 388688841 /nfs/dbraw/zinc/68/88/41/388688841.db2.gz VXFXWJZMJZVBBV-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](CCC)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000223194990 388688844 /nfs/dbraw/zinc/68/88/44/388688844.db2.gz VXFXWJZMJZVBBV-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@H](CCc1ccccc1)[NH2+]CC[NH+](C)C ZINC000554091863 388799491 /nfs/dbraw/zinc/79/94/91/388799491.db2.gz KHQQNBBEOQEIEW-MRXNPFEDSA-N 2 2 248.414 2.939 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC2(C)C)C[N@@H+]1C1CC1 ZINC000252715221 388775361 /nfs/dbraw/zinc/77/53/61/388775361.db2.gz UYMNPJZIUDGXMZ-DYEKYZERSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000252715221 388775364 /nfs/dbraw/zinc/77/53/64/388775364.db2.gz UYMNPJZIUDGXMZ-DYEKYZERSA-N 2 2 236.403 2.780 20 0 BFADLP C[N@H+](CC[NH2+]CC1(C)CC1)Cc1ccccc1 ZINC000555525709 388851498 /nfs/dbraw/zinc/85/14/98/388851498.db2.gz BJHUPQCPLDZQHH-UHFFFAOYSA-N 2 2 232.371 2.508 20 0 BFADLP C[N@@H+](CC[NH2+]CC1(C)CC1)Cc1ccccc1 ZINC000555525709 388851500 /nfs/dbraw/zinc/85/15/00/388851500.db2.gz BJHUPQCPLDZQHH-UHFFFAOYSA-N 2 2 232.371 2.508 20 0 BFADLP CC(C)C[C@@H](C[NH2+]C1CC(C(C)C)C1)[NH+](C)C ZINC000232598035 388855044 /nfs/dbraw/zinc/85/50/44/388855044.db2.gz OAQDDENRAPOBDR-NRXISQOPSA-N 2 2 240.435 2.987 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H](C)[C@H]2C)n1C ZINC000565236623 388929274 /nfs/dbraw/zinc/92/92/74/388929274.db2.gz CQOPEPYEJNZUOF-SCRDCRAPSA-N 2 2 249.402 2.890 20 0 BFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccoc1 ZINC000322416062 388966724 /nfs/dbraw/zinc/96/67/24/388966724.db2.gz KEVIMLDYVGQKPS-HLVVYCRESA-N 2 2 234.343 2.555 20 0 BFADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccoc1 ZINC000322416062 388966726 /nfs/dbraw/zinc/96/67/26/388966726.db2.gz KEVIMLDYVGQKPS-HLVVYCRESA-N 2 2 234.343 2.555 20 0 BFADLP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000566088342 388986942 /nfs/dbraw/zinc/98/69/42/388986942.db2.gz UCXFOGWSMPMCAM-JTQLQIEISA-N 2 2 242.313 2.615 20 0 BFADLP Cc1ccc(C[NH2+]CCc2cc[nH+]cc2C)o1 ZINC000269973825 389010821 /nfs/dbraw/zinc/01/08/21/389010821.db2.gz LOYVIWOZJRLCAA-UHFFFAOYSA-N 2 2 230.311 2.624 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2CCC23CCCC3)c[nH+]1 ZINC000530492275 322815675 /nfs/dbraw/zinc/81/56/75/322815675.db2.gz JBPIRJLCGIOSFJ-CQSZACIVSA-N 2 2 247.386 2.976 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000494910321 533641984 /nfs/dbraw/zinc/64/19/84/533641984.db2.gz NWWABMCQHHWGRJ-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[NH+](C)CCCC1CCN(c2cccc[nH+]2)CC1 ZINC000270889657 132197954 /nfs/dbraw/zinc/19/79/54/132197954.db2.gz GCGBXVREXVNNRP-UHFFFAOYSA-N 2 2 247.386 2.640 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](CC[C@@H](C)F)CC2 ZINC000352043111 134045447 /nfs/dbraw/zinc/04/54/47/134045447.db2.gz ACTHIVYMEXDNRR-MCIONIFRSA-N 2 2 242.382 2.682 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](CC[C@@H](C)F)CC2 ZINC000352043111 134045448 /nfs/dbraw/zinc/04/54/48/134045448.db2.gz ACTHIVYMEXDNRR-MCIONIFRSA-N 2 2 242.382 2.682 20 0 BFADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](CC[C@@H](C)F)CC2 ZINC000352043111 134045449 /nfs/dbraw/zinc/04/54/49/134045449.db2.gz ACTHIVYMEXDNRR-MCIONIFRSA-N 2 2 242.382 2.682 20 0 BFADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](CC[C@@H](C)F)CC2 ZINC000352043111 134045450 /nfs/dbraw/zinc/04/54/50/134045450.db2.gz ACTHIVYMEXDNRR-MCIONIFRSA-N 2 2 242.382 2.682 20 0 BFADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000336004319 134048369 /nfs/dbraw/zinc/04/83/69/134048369.db2.gz VGARJVPPBRPIFU-NEPJUHHUSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000336004319 134048370 /nfs/dbraw/zinc/04/83/70/134048370.db2.gz VGARJVPPBRPIFU-NEPJUHHUSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000336102731 134083932 /nfs/dbraw/zinc/08/39/32/134083932.db2.gz MTWJLSUIISGXJX-QWHCGFSZSA-N 2 2 247.386 2.756 20 0 BFADLP c1cc(O[C@H]2CC[N@@H+]([C@@H]3C=CCCC3)C2)cc[nH+]1 ZINC000336216454 134137623 /nfs/dbraw/zinc/13/76/23/134137623.db2.gz NFFOEFNPYGFHES-HIFRSBDPSA-N 2 2 244.338 2.643 20 0 BFADLP c1cc(O[C@H]2CC[N@H+]([C@@H]3C=CCCC3)C2)cc[nH+]1 ZINC000336216454 134137624 /nfs/dbraw/zinc/13/76/24/134137624.db2.gz NFFOEFNPYGFHES-HIFRSBDPSA-N 2 2 244.338 2.643 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1C ZINC000172038933 134264244 /nfs/dbraw/zinc/26/42/44/134264244.db2.gz XDOSYLKUOQINMJ-LBPRGKRZSA-N 2 2 229.327 2.877 20 0 BFADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000178309160 134308441 /nfs/dbraw/zinc/30/84/41/134308441.db2.gz RVMZTXUUZVMBRR-XJKSGUPXSA-N 2 2 244.382 2.605 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227171457 134374649 /nfs/dbraw/zinc/37/46/49/134374649.db2.gz PCAKJRWBZURFJL-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227171457 134374650 /nfs/dbraw/zinc/37/46/50/134374650.db2.gz PCAKJRWBZURFJL-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]C2CC2)C1 ZINC000227190647 134375232 /nfs/dbraw/zinc/37/52/32/134375232.db2.gz OOQNQOWGMWRJHN-SWLSCSKDSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]C2CC2)C1 ZINC000227190647 134375233 /nfs/dbraw/zinc/37/52/33/134375233.db2.gz OOQNQOWGMWRJHN-SWLSCSKDSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000227196774 134375261 /nfs/dbraw/zinc/37/52/61/134375261.db2.gz YYHSGFNOKHVEGG-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)[N@H+](C)C1CC1 ZINC000227709473 134384961 /nfs/dbraw/zinc/38/49/61/134384961.db2.gz ZTRQLSMPSPUMNB-CXTNEJHOSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+](C)C1CC1 ZINC000227709473 134384963 /nfs/dbraw/zinc/38/49/63/134384963.db2.gz ZTRQLSMPSPUMNB-CXTNEJHOSA-N 2 2 238.419 2.883 20 0 BFADLP CC1(C)CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000070653856 135005624 /nfs/dbraw/zinc/00/56/24/135005624.db2.gz UGTWMPORRIDIJK-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCCC3)C[N@@H+]1C1CC1 ZINC000249029318 135031152 /nfs/dbraw/zinc/03/11/52/135031152.db2.gz FBBKJIKNFACXKB-IPYPFGDCSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC23CCCC3)C[N@H+]1C1CC1 ZINC000249029318 135031154 /nfs/dbraw/zinc/03/11/54/135031154.db2.gz FBBKJIKNFACXKB-IPYPFGDCSA-N 2 2 248.414 2.924 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000250230983 135050742 /nfs/dbraw/zinc/05/07/42/135050742.db2.gz GCZINYRJEHKQIR-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000250230983 135050744 /nfs/dbraw/zinc/05/07/44/135050744.db2.gz GCZINYRJEHKQIR-KBUPBQIOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000250319645 135052093 /nfs/dbraw/zinc/05/20/93/135052093.db2.gz MXMWTYBQFNIMSN-CBBWQLFWSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000250319645 135052095 /nfs/dbraw/zinc/05/20/95/135052095.db2.gz MXMWTYBQFNIMSN-CBBWQLFWSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CCC[N@@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000250597363 135056111 /nfs/dbraw/zinc/05/61/11/135056111.db2.gz OSSBQMWSEXVNOQ-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CCC[N@H+]1CCC[NH+]2CCC[C@H]2C1 ZINC000250597363 135056114 /nfs/dbraw/zinc/05/61/14/135056114.db2.gz OSSBQMWSEXVNOQ-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CCC[NH+]1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250597363 135056116 /nfs/dbraw/zinc/05/61/16/135056116.db2.gz OSSBQMWSEXVNOQ-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CCC[NH+]1CCC[N@H+]2CCC[C@H]2C1 ZINC000250597363 135056118 /nfs/dbraw/zinc/05/61/18/135056118.db2.gz OSSBQMWSEXVNOQ-AWEZNQCLSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)C[NH+](C)C ZINC000251839631 135078992 /nfs/dbraw/zinc/07/89/92/135078992.db2.gz LGKKCBYKHBUZFA-XQQFMLRXSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@H](C[NH2+]C1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000252104508 135083796 /nfs/dbraw/zinc/08/37/96/135083796.db2.gz GUDMXSDFWLSECT-CHWSQXEVSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H](C[NH2+]C1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000252104508 135083798 /nfs/dbraw/zinc/08/37/98/135083798.db2.gz GUDMXSDFWLSECT-CHWSQXEVSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000252121265 135083817 /nfs/dbraw/zinc/08/38/17/135083817.db2.gz KVWMESQCSZPNGK-RFQIPJPRSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C[C@@H](C)C1 ZINC000252121265 135083818 /nfs/dbraw/zinc/08/38/18/135083818.db2.gz KVWMESQCSZPNGK-RFQIPJPRSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[N@H+](CC[NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000252202488 135086869 /nfs/dbraw/zinc/08/68/69/135086869.db2.gz UKEQBIOHEJZNQF-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[N@@H+](CC[NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000252202488 135086870 /nfs/dbraw/zinc/08/68/70/135086870.db2.gz UKEQBIOHEJZNQF-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000250349917 135090863 /nfs/dbraw/zinc/09/08/63/135090863.db2.gz RCRLZCRQSYTNMW-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000250349917 135090865 /nfs/dbraw/zinc/09/08/65/135090865.db2.gz RCRLZCRQSYTNMW-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1[nH+]cn(C/C=C\Cn2c[nH+]c(C)c2C)c1C ZINC000255279858 135129519 /nfs/dbraw/zinc/12/95/19/135129519.db2.gz ZTSUFWGHDLMOHA-WAYWQWQTSA-N 2 2 244.342 2.570 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000258699989 135133352 /nfs/dbraw/zinc/13/33/52/135133352.db2.gz GSFGEEYIFCVQOK-QMMMGPOBSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(Cl)c(Cl)c1 ZINC000258699989 135133354 /nfs/dbraw/zinc/13/33/54/135133354.db2.gz GSFGEEYIFCVQOK-QMMMGPOBSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533368 135164932 /nfs/dbraw/zinc/16/49/32/135164932.db2.gz HIGMKGZIDGFPKR-GBIKHYSHSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H](c1ccc(Cl)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533368 135164933 /nfs/dbraw/zinc/16/49/33/135164933.db2.gz HIGMKGZIDGFPKR-GBIKHYSHSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000261536200 135171497 /nfs/dbraw/zinc/17/14/97/135171497.db2.gz QSEDJOVVYWNVRO-QMMMGPOBSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000261536200 135171499 /nfs/dbraw/zinc/17/14/99/135171499.db2.gz QSEDJOVVYWNVRO-QMMMGPOBSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000261555836 135196042 /nfs/dbraw/zinc/19/60/42/135196042.db2.gz QCSKHBYGZBFDPS-QWRGUYRKSA-N 2 2 232.327 2.773 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1cc2ccccc2o1 ZINC000261555836 135196043 /nfs/dbraw/zinc/19/60/43/135196043.db2.gz QCSKHBYGZBFDPS-QWRGUYRKSA-N 2 2 232.327 2.773 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1csc2ccccc12 ZINC000261561064 135201799 /nfs/dbraw/zinc/20/17/99/135201799.db2.gz UZTJNKQWBMAIJM-GWCFXTLKSA-N 2 2 246.379 2.823 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1csc2ccccc12 ZINC000261561064 135201800 /nfs/dbraw/zinc/20/18/00/135201800.db2.gz UZTJNKQWBMAIJM-GWCFXTLKSA-N 2 2 246.379 2.823 20 0 BFADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccsc1Cl ZINC000261562845 135204712 /nfs/dbraw/zinc/20/47/12/135204712.db2.gz BQVBYQNIVDLEDQ-DTWKUNHWSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccsc1Cl ZINC000261562845 135204713 /nfs/dbraw/zinc/20/47/13/135204713.db2.gz BQVBYQNIVDLEDQ-DTWKUNHWSA-N 2 2 244.791 2.571 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261591809 135232681 /nfs/dbraw/zinc/23/26/81/135232681.db2.gz YARGTBPNFJYVKL-HZMBPMFUSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000261591809 135232683 /nfs/dbraw/zinc/23/26/83/135232683.db2.gz YARGTBPNFJYVKL-HZMBPMFUSA-N 2 2 244.338 2.663 20 0 BFADLP CCCc1cccc(C[N@@H+]2CCC[C@H]([NH2+]C)C2)c1 ZINC000261933974 135264185 /nfs/dbraw/zinc/26/41/85/135264185.db2.gz DAYWOFBKDQXJSU-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1cccc(C[N@H+]2CCC[C@H]([NH2+]C)C2)c1 ZINC000261933974 135264187 /nfs/dbraw/zinc/26/41/87/135264187.db2.gz DAYWOFBKDQXJSU-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1[NH3+] ZINC000261975198 135269028 /nfs/dbraw/zinc/26/90/28/135269028.db2.gz IQKXLEOEKSDZGO-ZWNOBZJWSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@H]1[NH3+] ZINC000261975198 135269029 /nfs/dbraw/zinc/26/90/29/135269029.db2.gz IQKXLEOEKSDZGO-ZWNOBZJWSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000262284404 135290628 /nfs/dbraw/zinc/29/06/28/135290628.db2.gz ZNZGLSJLSMJNCU-MLGOLLRUSA-N 2 2 240.350 2.852 20 0 BFADLP CCC1CC([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000342571768 135290818 /nfs/dbraw/zinc/29/08/18/135290818.db2.gz DEUKGFZMNUQMLF-JXQTWKCFSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CC([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000342571768 135290821 /nfs/dbraw/zinc/29/08/21/135290821.db2.gz DEUKGFZMNUQMLF-JXQTWKCFSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CC([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000342571770 135290982 /nfs/dbraw/zinc/29/09/82/135290982.db2.gz DEUKGFZMNUQMLF-RUXDESIVSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CC([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000342571770 135290983 /nfs/dbraw/zinc/29/09/83/135290983.db2.gz DEUKGFZMNUQMLF-RUXDESIVSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC1(C)C ZINC000342586058 135292939 /nfs/dbraw/zinc/29/29/39/135292939.db2.gz ZCZUKXNQZKSFNA-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+][C@H]1CCC1(C)C ZINC000342586058 135292941 /nfs/dbraw/zinc/29/29/41/135292941.db2.gz ZCZUKXNQZKSFNA-STQMWFEESA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000342622924 135296668 /nfs/dbraw/zinc/29/66/68/135296668.db2.gz GDSMWNKSZBKVHD-CYBMUJFWSA-N 2 2 247.386 2.540 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000342607184 135303059 /nfs/dbraw/zinc/30/30/59/135303059.db2.gz OTKFWXCIEBQCOF-BPLDGKMQSA-N 2 2 247.386 2.845 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000342607184 135303060 /nfs/dbraw/zinc/30/30/60/135303060.db2.gz OTKFWXCIEBQCOF-BPLDGKMQSA-N 2 2 247.386 2.845 20 0 BFADLP CC1(C)CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000342713876 135314097 /nfs/dbraw/zinc/31/40/97/135314097.db2.gz UTWPRDCGOOMNAM-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000342713876 135314099 /nfs/dbraw/zinc/31/40/99/135314099.db2.gz UTWPRDCGOOMNAM-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000164452557 135329955 /nfs/dbraw/zinc/32/99/55/135329955.db2.gz DEPXHOYWEWSPHI-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(C)CC1 ZINC000164452557 135329957 /nfs/dbraw/zinc/32/99/57/135329957.db2.gz DEPXHOYWEWSPHI-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342924824 135335729 /nfs/dbraw/zinc/33/57/29/135335729.db2.gz GIYJEBBOFQVDGE-UKRRQHHQSA-N 2 2 248.370 2.971 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000342924824 135335731 /nfs/dbraw/zinc/33/57/31/135335731.db2.gz GIYJEBBOFQVDGE-UKRRQHHQSA-N 2 2 248.370 2.971 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342924822 135335912 /nfs/dbraw/zinc/33/59/12/135335912.db2.gz GIYJEBBOFQVDGE-HIFRSBDPSA-N 2 2 248.370 2.971 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342924822 135335913 /nfs/dbraw/zinc/33/59/13/135335913.db2.gz GIYJEBBOFQVDGE-HIFRSBDPSA-N 2 2 248.370 2.971 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000342947689 135337605 /nfs/dbraw/zinc/33/76/05/135337605.db2.gz TWURZPMSBKWIHP-GOEBONIOSA-N 2 2 246.398 2.549 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCCc2ccccc2)C1 ZINC000342947689 135337606 /nfs/dbraw/zinc/33/76/06/135337606.db2.gz TWURZPMSBKWIHP-GOEBONIOSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[N@H+](C)C1CC1 ZINC000164515904 135386969 /nfs/dbraw/zinc/38/69/69/135386969.db2.gz PHFAJPBVHSKMEU-CPCZMJQVSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+]C1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000164515904 135386971 /nfs/dbraw/zinc/38/69/71/135386971.db2.gz PHFAJPBVHSKMEU-CPCZMJQVSA-N 2 2 224.392 2.637 20 0 BFADLP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000081637897 135388469 /nfs/dbraw/zinc/38/84/69/135388469.db2.gz CUAQLCBVDSFTND-SOUVJXGZSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1[C@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000081637897 135388470 /nfs/dbraw/zinc/38/84/70/135388470.db2.gz CUAQLCBVDSFTND-SOUVJXGZSA-N 2 2 248.414 2.782 20 0 BFADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079978921 135397896 /nfs/dbraw/zinc/39/78/96/135397896.db2.gz VMWCYTUEWQLTRO-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079978921 135397899 /nfs/dbraw/zinc/39/78/99/135397899.db2.gz VMWCYTUEWQLTRO-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000084342746 135470235 /nfs/dbraw/zinc/47/02/35/135470235.db2.gz YWRXFSBYLIUUGI-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000084342746 135470236 /nfs/dbraw/zinc/47/02/36/135470236.db2.gz YWRXFSBYLIUUGI-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000334865652 135827908 /nfs/dbraw/zinc/82/79/08/135827908.db2.gz VVAFSBIEVNOKOM-BXUZGUMPSA-N 2 2 244.338 2.520 20 0 BFADLP c1c[nH+]c(C2CC[NH+](CC3CCCC3)CC2)[nH]1 ZINC000334958249 135850502 /nfs/dbraw/zinc/85/05/02/135850502.db2.gz KBAZMBBUEGZDEI-UHFFFAOYSA-N 2 2 233.359 2.779 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000348075018 136034030 /nfs/dbraw/zinc/03/40/30/136034030.db2.gz FFADWYVQEDLPAK-RRFJBIMHSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000348097211 136035769 /nfs/dbraw/zinc/03/57/69/136035769.db2.gz UENWSGZXDDQXGQ-KCQAQPDRSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000348097211 136035770 /nfs/dbraw/zinc/03/57/70/136035770.db2.gz UENWSGZXDDQXGQ-KCQAQPDRSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000348104951 136036413 /nfs/dbraw/zinc/03/64/13/136036413.db2.gz NIVRTQVMOXHKIY-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000348276707 136059307 /nfs/dbraw/zinc/05/93/07/136059307.db2.gz DXVYQJICCVQNSC-UPJWGTAASA-N 2 2 247.386 2.612 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000348297541 136063148 /nfs/dbraw/zinc/06/31/48/136063148.db2.gz ZLGKCBNJLOACIS-VNQPRFMTSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000348317410 136068509 /nfs/dbraw/zinc/06/85/09/136068509.db2.gz XXDFBPZWSNZQCI-LUYZLQTOSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252682064 397811565 /nfs/dbraw/zinc/81/15/65/397811565.db2.gz BOBISWXJVTWLBW-CFVMTHIKSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000252682064 397811566 /nfs/dbraw/zinc/81/15/66/397811566.db2.gz BOBISWXJVTWLBW-CFVMTHIKSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@H]1CC[C@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000433043173 397915856 /nfs/dbraw/zinc/91/58/56/397915856.db2.gz ZZXBKODAGUXLCW-STQMWFEESA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1CC[C@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000433043173 397915860 /nfs/dbraw/zinc/91/58/60/397915860.db2.gz ZZXBKODAGUXLCW-STQMWFEESA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000433043168 397915893 /nfs/dbraw/zinc/91/58/93/397915893.db2.gz ZZXBKODAGUXLCW-CHWSQXEVSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000433043168 397915897 /nfs/dbraw/zinc/91/58/97/397915897.db2.gz ZZXBKODAGUXLCW-CHWSQXEVSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538417 397918508 /nfs/dbraw/zinc/91/85/08/397918508.db2.gz JXZTXKPRCNHHGO-ASHKBJFXSA-N 2 2 248.345 2.525 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@@H+](C)C[C@H]32)cc1 ZINC000371528473 397994569 /nfs/dbraw/zinc/99/45/69/397994569.db2.gz MBQKUMLSJTZFGC-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000371528473 397994573 /nfs/dbraw/zinc/99/45/73/397994573.db2.gz MBQKUMLSJTZFGC-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000371528473 397994577 /nfs/dbraw/zinc/99/45/77/397994577.db2.gz MBQKUMLSJTZFGC-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[NH+](C)C[C@H]32)cc1 ZINC000371528473 397994581 /nfs/dbraw/zinc/99/45/81/397994581.db2.gz MBQKUMLSJTZFGC-HZPDHXFCSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C1([NH2+]Cc2c[nH+]c[nH]2)CCC1 ZINC000649644622 398019174 /nfs/dbraw/zinc/01/91/74/398019174.db2.gz KYWWZGHQOMBBHC-UHFFFAOYSA-N 2 2 241.338 2.887 20 0 BFADLP C[N@H+](CC1CCCC1)C(C)(C)C[NH+]1CCCC1 ZINC000418139170 397989328 /nfs/dbraw/zinc/98/93/28/397989328.db2.gz DQVBZNSILWCZLK-UHFFFAOYSA-N 2 2 238.419 2.983 20 0 BFADLP C[N@@H+](CC1CCCC1)C(C)(C)C[NH+]1CCCC1 ZINC000418139170 397989330 /nfs/dbraw/zinc/98/93/30/397989330.db2.gz DQVBZNSILWCZLK-UHFFFAOYSA-N 2 2 238.419 2.983 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)C[N@@H+]1C1CC1 ZINC000122284693 398093002 /nfs/dbraw/zinc/09/30/02/398093002.db2.gz XGMXLBDAEKGYNV-TZMCWYRMSA-N 2 2 236.403 2.924 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C2CCCCCC2)C[N@H+]1C1CC1 ZINC000122284693 398093005 /nfs/dbraw/zinc/09/30/05/398093005.db2.gz XGMXLBDAEKGYNV-TZMCWYRMSA-N 2 2 236.403 2.924 20 0 BFADLP CCC1(CC)CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000186543861 398055240 /nfs/dbraw/zinc/05/52/40/398055240.db2.gz QKLFOSMOIBLCHN-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP C[NH2+]CCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000062016726 398110006 /nfs/dbraw/zinc/11/00/06/398110006.db2.gz IZYXYGBXGGGDTA-LLVKDONJSA-N 2 2 240.778 2.942 20 0 BFADLP C[NH2+]CCC[N@@H+](C)[C@H](C)c1ccccc1Cl ZINC000062016726 398110008 /nfs/dbraw/zinc/11/00/08/398110008.db2.gz IZYXYGBXGGGDTA-LLVKDONJSA-N 2 2 240.778 2.942 20 0 BFADLP C[NH+](C)C1(C[NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000669575103 487574773 /nfs/dbraw/zinc/57/47/73/487574773.db2.gz QJUZSVYCRWRJFQ-UHFFFAOYSA-N 2 2 246.398 2.648 20 0 BFADLP c1cn(CCCC[NH2+]C[C@@H]2CC=CCC2)c[nH+]1 ZINC000044353218 322910016 /nfs/dbraw/zinc/91/00/16/322910016.db2.gz VAPBIKQNLMRHLF-CQSZACIVSA-N 2 2 233.359 2.609 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000086906691 487583553 /nfs/dbraw/zinc/58/35/53/487583553.db2.gz MDTHAEDDMRLEKM-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@](C[NH3+])([NH2+]Cc1ccsc1Cl)C1CC1 ZINC000662247660 409544493 /nfs/dbraw/zinc/54/44/93/409544493.db2.gz IJSGZGFHUFHXCW-LLVKDONJSA-N 2 2 244.791 2.619 20 0 BFADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@H+](C)C(C)(C)C)C1 ZINC000660904486 409951435 /nfs/dbraw/zinc/95/14/35/409951435.db2.gz SYPLHGOEIQWUTR-CHWSQXEVSA-N 2 2 226.408 2.695 20 0 BFADLP C[C@@H]1C[C@@H](C)C[NH+](CC[N@@H+](C)C(C)(C)C)C1 ZINC000660904486 409951441 /nfs/dbraw/zinc/95/14/41/409951441.db2.gz SYPLHGOEIQWUTR-CHWSQXEVSA-N 2 2 226.408 2.695 20 0 BFADLP C[C@H]([NH2+]Cc1ccc2occc2c1)[C@H]1CCC[NH2+]1 ZINC000665237989 410728550 /nfs/dbraw/zinc/72/85/50/410728550.db2.gz OCNVVTLJUSOXCY-SMDDNHRTSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@@H]1CCC[NH2+]1 ZINC000665237988 410730028 /nfs/dbraw/zinc/73/00/28/410730028.db2.gz OCNVVTLJUSOXCY-RISCZKNCSA-N 2 2 244.338 2.663 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC000665294952 410789655 /nfs/dbraw/zinc/78/96/55/410789655.db2.gz ZCRLQIQYGBEDKD-STQMWFEESA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000665296871 410817366 /nfs/dbraw/zinc/81/73/66/410817366.db2.gz YZJVOLQSFVRYEZ-RNCFNFMXSA-N 2 2 238.762 2.525 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000665296872 410816719 /nfs/dbraw/zinc/81/67/19/410816719.db2.gz YZJVOLQSFVRYEZ-TVQRCGJNSA-N 2 2 238.762 2.525 20 0 BFADLP CC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(F)cc1 ZINC000665276729 410748252 /nfs/dbraw/zinc/74/82/52/410748252.db2.gz LGGYWJPOZYRKRQ-WPBUFGDCSA-N 2 2 248.345 2.618 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCC(C)(C)c2ccccc21 ZINC000665297654 410819123 /nfs/dbraw/zinc/81/91/23/410819123.db2.gz JFOBSBWHOZIRDD-SWLSCSKDSA-N 2 2 246.398 2.997 20 0 BFADLP CC(C)C[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000058872730 167010840 /nfs/dbraw/zinc/01/08/40/167010840.db2.gz WOBRWNRHHJQCGY-UHFFFAOYSA-N 2 2 229.327 2.618 20 0 BFADLP CC(C)C[NH2+][C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000185687474 167014018 /nfs/dbraw/zinc/01/40/18/167014018.db2.gz KVVKGXAJIBNFGR-UKRRQHHQSA-N 2 2 234.387 2.923 20 0 BFADLP CC(C)[NH2+][C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000050270838 167133120 /nfs/dbraw/zinc/13/31/20/167133120.db2.gz OIOXFSSOTMSDEM-HNNXBMFYSA-N 2 2 228.339 2.838 20 0 BFADLP CC(C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000287379921 167139741 /nfs/dbraw/zinc/13/97/41/167139741.db2.gz PJTNRZFPRSILHH-ZFWWWQNUSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000287379921 167139745 /nfs/dbraw/zinc/13/97/45/167139745.db2.gz PJTNRZFPRSILHH-ZFWWWQNUSA-N 2 2 232.371 2.647 20 0 BFADLP c1cn(CC[N@@H+]2CC[C@@H](C3CCCCC3)C2)c[nH+]1 ZINC000661578333 410909259 /nfs/dbraw/zinc/90/92/59/410909259.db2.gz KXOLIYBPPXIXQY-OAHLLOKOSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CC[N@H+]2CC[C@@H](C3CCCCC3)C2)c[nH+]1 ZINC000661578333 410909264 /nfs/dbraw/zinc/90/92/64/410909264.db2.gz KXOLIYBPPXIXQY-OAHLLOKOSA-N 2 2 247.386 2.785 20 0 BFADLP CC(C)[C@@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000053345123 167379578 /nfs/dbraw/zinc/37/95/78/167379578.db2.gz FVSWILDTHRHRNM-CQSZACIVSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)[C@@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000053345123 167379582 /nfs/dbraw/zinc/37/95/82/167379582.db2.gz FVSWILDTHRHRNM-CQSZACIVSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000309681335 167381935 /nfs/dbraw/zinc/38/19/35/167381935.db2.gz NHSXXXFLDDWSDN-TZMCWYRMSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000309681335 167381936 /nfs/dbraw/zinc/38/19/36/167381936.db2.gz NHSXXXFLDDWSDN-TZMCWYRMSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000651750138 411140861 /nfs/dbraw/zinc/14/08/61/411140861.db2.gz XURFCKLKUPCOCB-KGLIPLIRSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)(C)C(F)F ZINC000657899695 411160247 /nfs/dbraw/zinc/16/02/47/411160247.db2.gz KVSYYWDOLVCOGX-QWRGUYRKSA-N 2 2 248.361 2.598 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)(C)C(F)F ZINC000657899695 411160249 /nfs/dbraw/zinc/16/02/49/411160249.db2.gz KVSYYWDOLVCOGX-QWRGUYRKSA-N 2 2 248.361 2.598 20 0 BFADLP C[C@@H]1C[N@H+](Cc2cscc2Cl)CC[C@H]1[NH3+] ZINC000309372248 411114099 /nfs/dbraw/zinc/11/40/99/411114099.db2.gz CEIMWURSYPPHJM-LDYMZIIASA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2cscc2Cl)CC[C@H]1[NH3+] ZINC000309372248 411114103 /nfs/dbraw/zinc/11/41/03/411114103.db2.gz CEIMWURSYPPHJM-LDYMZIIASA-N 2 2 244.791 2.571 20 0 BFADLP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091902 411242453 /nfs/dbraw/zinc/24/24/53/411242453.db2.gz NTSUWYVGMJOADO-NWDGAFQWSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091902 411242456 /nfs/dbraw/zinc/24/24/56/411242456.db2.gz NTSUWYVGMJOADO-NWDGAFQWSA-N 2 2 212.381 2.637 20 0 BFADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C(C)(C)C(F)F ZINC000657984336 411188878 /nfs/dbraw/zinc/18/88/78/411188878.db2.gz GTPJRDWEDVJWNS-SNVBAGLBSA-N 2 2 248.361 2.740 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccoc1 ZINC000658053927 411220859 /nfs/dbraw/zinc/22/08/59/411220859.db2.gz BYVXNWMSUZAZLY-YPMHNXCESA-N 2 2 236.359 2.803 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccoc1 ZINC000658053927 411220861 /nfs/dbraw/zinc/22/08/61/411220861.db2.gz BYVXNWMSUZAZLY-YPMHNXCESA-N 2 2 236.359 2.803 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658057709 411223831 /nfs/dbraw/zinc/22/38/31/411223831.db2.gz AVKPUZLAIKYKRH-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000658057709 411223834 /nfs/dbraw/zinc/22/38/34/411223834.db2.gz AVKPUZLAIKYKRH-FRRDWIJNSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000658060331 411226317 /nfs/dbraw/zinc/22/63/17/411226317.db2.gz YVVWJENJYVKANP-CHWSQXEVSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C(C)C ZINC000658060331 411226319 /nfs/dbraw/zinc/22/63/19/411226319.db2.gz YVVWJENJYVKANP-CHWSQXEVSA-N 2 2 226.408 2.883 20 0 BFADLP C1CC2(C1)CC([NH2+][C@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000656276641 411227904 /nfs/dbraw/zinc/22/79/04/411227904.db2.gz HSCTYRORPDJRPL-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC([NH2+][C@H]1CCC[N@H+]3CCCC[C@@H]13)C2 ZINC000656276641 411227907 /nfs/dbraw/zinc/22/79/07/411227907.db2.gz HSCTYRORPDJRPL-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCC1 ZINC000656277429 411227963 /nfs/dbraw/zinc/22/79/63/411227963.db2.gz MZUBFZFFJWELRQ-CFVMTHIKSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCC1 ZINC000656277429 411227967 /nfs/dbraw/zinc/22/79/67/411227967.db2.gz MZUBFZFFJWELRQ-CFVMTHIKSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000658062992 411229395 /nfs/dbraw/zinc/22/93/95/411229395.db2.gz UOICGEJCDRDKPN-FQUUOJAGSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000658062992 411229397 /nfs/dbraw/zinc/22/93/97/411229397.db2.gz UOICGEJCDRDKPN-FQUUOJAGSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000658062988 411229523 /nfs/dbraw/zinc/22/95/23/411229523.db2.gz UIWURAAJQZUBEY-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000658062988 411229530 /nfs/dbraw/zinc/22/95/30/411229530.db2.gz UIWURAAJQZUBEY-OLZOCXBDSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000423306922 411237826 /nfs/dbraw/zinc/23/78/26/411237826.db2.gz FSMPYOGMBHBEAI-HNNXBMFYSA-N 2 2 232.371 2.572 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC000658090025 411240389 /nfs/dbraw/zinc/24/03/89/411240389.db2.gz CWQMQDVJMZNQDH-OLZOCXBDSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C ZINC000658090025 411240394 /nfs/dbraw/zinc/24/03/94/411240394.db2.gz CWQMQDVJMZNQDH-OLZOCXBDSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CCC1 ZINC000658090410 411240596 /nfs/dbraw/zinc/24/05/96/411240596.db2.gz HGRCTCSIQKWFHH-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CCC1 ZINC000658090410 411240600 /nfs/dbraw/zinc/24/06/00/411240600.db2.gz HGRCTCSIQKWFHH-DGCLKSJQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@@H](C)[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660000199 411165119 /nfs/dbraw/zinc/16/51/19/411165119.db2.gz PXKDYLQQDZPQSR-LXTVHRRPSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC[C@@H](C)[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660000199 411165122 /nfs/dbraw/zinc/16/51/22/411165122.db2.gz PXKDYLQQDZPQSR-LXTVHRRPSA-N 2 2 238.419 2.837 20 0 BFADLP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@H](C)[NH+](C)C)CC2 ZINC000655717084 411275508 /nfs/dbraw/zinc/27/55/08/411275508.db2.gz UKNAMTYQPQJCDE-DZGCQCFKSA-N 2 2 246.398 2.830 20 0 BFADLP CC[NH+](CC)[C@H](C)CNc1cc(C)cc[nH+]1 ZINC000268315256 411298091 /nfs/dbraw/zinc/29/80/91/411298091.db2.gz LDSIGAYNLVDYCY-GFCCVEGCSA-N 2 2 221.348 2.532 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C(C)(C)CC(C)(C)C ZINC000386690204 411302670 /nfs/dbraw/zinc/30/26/70/411302670.db2.gz ZFUIPAWSCWCCRP-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C(C)(C)CC(C)(C)C ZINC000386690204 411302672 /nfs/dbraw/zinc/30/26/72/411302672.db2.gz ZFUIPAWSCWCCRP-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000397762044 411305635 /nfs/dbraw/zinc/30/56/35/411305635.db2.gz IMZFCGYWVKHUQP-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000658284413 411323070 /nfs/dbraw/zinc/32/30/70/411323070.db2.gz GCUMVLMUDCGTAF-KKUMJFAQSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000658284413 411323072 /nfs/dbraw/zinc/32/30/72/411323072.db2.gz GCUMVLMUDCGTAF-KKUMJFAQSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+](C[C@H](C)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000304306995 411359317 /nfs/dbraw/zinc/35/93/17/411359317.db2.gz PWVCMHJQZNVHPT-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+](C[C@H](C)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000304306995 411359320 /nfs/dbraw/zinc/35/93/20/411359320.db2.gz PWVCMHJQZNVHPT-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP [NH3+][C@@H]1CC[N@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656786594 411365653 /nfs/dbraw/zinc/36/56/53/411365653.db2.gz NWJHMLLYWBMAQP-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+][C@@H]1CC[N@@H+](Cc2cccc(C3CCCC3)c2)C1 ZINC000656786594 411365655 /nfs/dbraw/zinc/36/56/55/411365655.db2.gz NWJHMLLYWBMAQP-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP CC1(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000336542094 168024998 /nfs/dbraw/zinc/02/49/98/168024998.db2.gz QBSSHNJQKHYUMK-LBPRGKRZSA-N 2 2 233.359 2.779 20 0 BFADLP CC1(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCC1 ZINC000336542094 168025000 /nfs/dbraw/zinc/02/50/00/168025000.db2.gz QBSSHNJQKHYUMK-LBPRGKRZSA-N 2 2 233.359 2.779 20 0 BFADLP CC(C)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188436 411347717 /nfs/dbraw/zinc/34/77/17/411347717.db2.gz DUOFJIJOMSGLSA-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188436 411347719 /nfs/dbraw/zinc/34/77/19/411347719.db2.gz DUOFJIJOMSGLSA-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CCC=C(C)C1 ZINC000289508735 168098744 /nfs/dbraw/zinc/09/87/44/168098744.db2.gz CYZVZIZANIQFGS-UHFFFAOYSA-N 2 2 230.355 2.975 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CCC=C(C)C1 ZINC000289508735 168098746 /nfs/dbraw/zinc/09/87/46/168098746.db2.gz CYZVZIZANIQFGS-UHFFFAOYSA-N 2 2 230.355 2.975 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@@H+](C)C(C)C ZINC000359076791 168103092 /nfs/dbraw/zinc/10/30/92/168103092.db2.gz BNBWSVFHQFPDFC-LSDHHAIUSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC[N@H+](C)C(C)C ZINC000359076791 168103094 /nfs/dbraw/zinc/10/30/94/168103094.db2.gz BNBWSVFHQFPDFC-LSDHHAIUSA-N 2 2 238.419 2.909 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000358221972 168111994 /nfs/dbraw/zinc/11/19/94/168111994.db2.gz GRFJXRSGSGCEKX-AWEZNQCLSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CCC(C)(C)C2)CC1 ZINC000358221972 168111996 /nfs/dbraw/zinc/11/19/96/168111996.db2.gz GRFJXRSGSGCEKX-AWEZNQCLSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]CC2CCCCC2)CC1 ZINC000358140964 168112913 /nfs/dbraw/zinc/11/29/13/168112913.db2.gz PLIPSUVWUTZHSC-UHFFFAOYSA-N 2 2 236.403 2.808 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]CC2CCCCC2)CC1 ZINC000358140964 168112914 /nfs/dbraw/zinc/11/29/14/168112914.db2.gz PLIPSUVWUTZHSC-UHFFFAOYSA-N 2 2 236.403 2.808 20 0 BFADLP Cc1ccc(C[NH2+]CC[N@H+]2CC=C(C)CC2)cc1 ZINC000358121640 168113219 /nfs/dbraw/zinc/11/32/19/168113219.db2.gz SGASXMGICNVTSQ-UHFFFAOYSA-N 2 2 244.382 2.737 20 0 BFADLP Cc1ccc(C[NH2+]CC[N@@H+]2CC=C(C)CC2)cc1 ZINC000358121640 168113221 /nfs/dbraw/zinc/11/32/21/168113221.db2.gz SGASXMGICNVTSQ-UHFFFAOYSA-N 2 2 244.382 2.737 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000358139531 168113439 /nfs/dbraw/zinc/11/34/39/168113439.db2.gz OAEYWFRPBLBQEY-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H]2CCC[C@H](C)C2)CC1 ZINC000358139531 168113441 /nfs/dbraw/zinc/11/34/41/168113441.db2.gz OAEYWFRPBLBQEY-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CCCn2cc[nH+]c2)C1 ZINC000235386553 168129708 /nfs/dbraw/zinc/12/97/08/168129708.db2.gz SMWYZZUNNDSPER-DZGCQCFKSA-N 2 2 247.386 2.855 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000300079309 168129809 /nfs/dbraw/zinc/12/98/09/168129809.db2.gz SPWLHHVUNSNYOL-CFVMTHIKSA-N 2 2 248.414 2.805 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300079309 168129812 /nfs/dbraw/zinc/12/98/12/168129812.db2.gz SPWLHHVUNSNYOL-CFVMTHIKSA-N 2 2 248.414 2.805 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)C[NH+](C)C)C1 ZINC000300009999 168130822 /nfs/dbraw/zinc/13/08/22/168130822.db2.gz BKFCHWMNOXGUGZ-YUTCNCBUSA-N 2 2 224.392 2.519 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000355420331 168150855 /nfs/dbraw/zinc/15/08/55/168150855.db2.gz NXJSMJYJEGPVKX-PIOWNMBXSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC1(C)CCC(C)CC1 ZINC000355420331 168150857 /nfs/dbraw/zinc/15/08/57/168150857.db2.gz NXJSMJYJEGPVKX-PIOWNMBXSA-N 2 2 238.419 2.743 20 0 BFADLP CC1CCC([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000336728123 168164288 /nfs/dbraw/zinc/16/42/88/168164288.db2.gz CIMKBMRBHVPVQA-GNRIBBGQSA-N 2 2 224.392 2.637 20 0 BFADLP CC1CCC([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)CC1 ZINC000336728123 168164291 /nfs/dbraw/zinc/16/42/91/168164291.db2.gz CIMKBMRBHVPVQA-GNRIBBGQSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000122311939 168165181 /nfs/dbraw/zinc/16/51/81/168165181.db2.gz PAYYGRQVDPHMMV-GNRIBBGQSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000122311939 168165183 /nfs/dbraw/zinc/16/51/83/168165183.db2.gz PAYYGRQVDPHMMV-GNRIBBGQSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](C[NH+]1CCCC1)[NH2+]C1CCC(C)CC1 ZINC000042597187 168165338 /nfs/dbraw/zinc/16/53/38/168165338.db2.gz UGAAMVXJNKNOEQ-ROKHWSDSSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000300408849 169845507 /nfs/dbraw/zinc/84/55/07/169845507.db2.gz CGJVYLKDMFSRCU-WDNDVIMCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000300408849 169845508 /nfs/dbraw/zinc/84/55/08/169845508.db2.gz CGJVYLKDMFSRCU-WDNDVIMCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+](C[C@H]([NH3+])CC(C)C)[C@H](C)C(C)C ZINC000414683131 411439550 /nfs/dbraw/zinc/43/95/50/411439550.db2.gz AQVMTMGAQYPAPZ-CHWSQXEVSA-N 2 2 214.397 2.726 20 0 BFADLP CC[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H](C)C(C)C ZINC000414683131 411439554 /nfs/dbraw/zinc/43/95/54/411439554.db2.gz AQVMTMGAQYPAPZ-CHWSQXEVSA-N 2 2 214.397 2.726 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)[C@H](C)C1 ZINC000657358993 411475906 /nfs/dbraw/zinc/47/59/06/411475906.db2.gz OSTXGQGYKMJDNP-BZPMIXESSA-N 2 2 247.386 2.744 20 0 BFADLP CCC1(CC)C[NH+](Cc2cccc3[nH+]ccn32)C1 ZINC000297486179 411482602 /nfs/dbraw/zinc/48/26/02/411482602.db2.gz SSKQPYPDZYISQQ-UHFFFAOYSA-N 2 2 243.354 2.956 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000659870787 411483923 /nfs/dbraw/zinc/48/39/23/411483923.db2.gz HKRQNMNSXCTNEH-HNNXBMFYSA-N 2 2 236.403 2.903 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000659870787 411483927 /nfs/dbraw/zinc/48/39/27/411483927.db2.gz HKRQNMNSXCTNEH-HNNXBMFYSA-N 2 2 236.403 2.903 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000415009727 411486619 /nfs/dbraw/zinc/48/66/19/411486619.db2.gz OGOFFCZXNAZABI-SFYZADRCSA-N 2 2 247.169 2.819 20 0 BFADLP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC[NH2+]C(C)(C)C ZINC000415088929 411491209 /nfs/dbraw/zinc/49/12/09/411491209.db2.gz MQPCQHOHIDMLSE-SWLSCSKDSA-N 2 2 246.398 2.898 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C(C)(C)CC(F)(F)F)n1C ZINC000657444271 411512679 /nfs/dbraw/zinc/51/26/79/411512679.db2.gz YATAAMBBOJGXNG-UHFFFAOYSA-N 2 2 249.280 2.549 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCC(C2CCC2)CC1 ZINC000657465649 411518991 /nfs/dbraw/zinc/51/89/91/411518991.db2.gz YMOWFOCFLWDQKW-GRTSSRMGSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC=CC1 ZINC000659995852 411524258 /nfs/dbraw/zinc/52/42/58/411524258.db2.gz WKYGYQAWDMKXCA-CABCVRRESA-N 2 2 234.387 2.511 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC=CC1 ZINC000659995852 411524260 /nfs/dbraw/zinc/52/42/60/411524260.db2.gz WKYGYQAWDMKXCA-CABCVRRESA-N 2 2 234.387 2.511 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC=CC1 ZINC000659995852 411524261 /nfs/dbraw/zinc/52/42/61/411524261.db2.gz WKYGYQAWDMKXCA-CABCVRRESA-N 2 2 234.387 2.511 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CC1CC=CC1 ZINC000659995852 411524263 /nfs/dbraw/zinc/52/42/63/411524263.db2.gz WKYGYQAWDMKXCA-CABCVRRESA-N 2 2 234.387 2.511 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C(C)C)C1 ZINC000336779294 170031821 /nfs/dbraw/zinc/03/18/21/170031821.db2.gz NWLIFAHKFXQMPM-CHWSQXEVSA-N 2 2 226.408 2.598 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C(C)C)C1 ZINC000336779294 170031822 /nfs/dbraw/zinc/03/18/22/170031822.db2.gz NWLIFAHKFXQMPM-CHWSQXEVSA-N 2 2 226.408 2.598 20 0 BFADLP Cc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657524466 411542506 /nfs/dbraw/zinc/54/25/06/411542506.db2.gz PASLLXCTOKCTCR-HNNXBMFYSA-N 2 2 246.398 2.957 20 0 BFADLP Cc1ccccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657524466 411542508 /nfs/dbraw/zinc/54/25/08/411542508.db2.gz PASLLXCTOKCTCR-HNNXBMFYSA-N 2 2 246.398 2.957 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000657525563 411543169 /nfs/dbraw/zinc/54/31/69/411543169.db2.gz SPZKYJUGVPSNSV-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C ZINC000657525563 411543171 /nfs/dbraw/zinc/54/31/71/411543171.db2.gz SPZKYJUGVPSNSV-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849128 411536614 /nfs/dbraw/zinc/53/66/14/411536614.db2.gz NFMPPNQMYMVDKQ-MJBXVCDLSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849128 411536618 /nfs/dbraw/zinc/53/66/18/411536618.db2.gz NFMPPNQMYMVDKQ-MJBXVCDLSA-N 2 2 224.392 2.637 20 0 BFADLP C1CCC([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000655849952 411536865 /nfs/dbraw/zinc/53/68/65/411536865.db2.gz RPEXAHUTVKBBBF-KGLIPLIRSA-N 2 2 222.376 2.536 20 0 BFADLP C1CCC([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000655849952 411536866 /nfs/dbraw/zinc/53/68/66/411536866.db2.gz RPEXAHUTVKBBBF-KGLIPLIRSA-N 2 2 222.376 2.536 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849125 411537080 /nfs/dbraw/zinc/53/70/80/411537080.db2.gz NFMPPNQMYMVDKQ-BFHYXJOUSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849125 411537084 /nfs/dbraw/zinc/53/70/84/411537084.db2.gz NFMPPNQMYMVDKQ-BFHYXJOUSA-N 2 2 224.392 2.637 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849723 411537723 /nfs/dbraw/zinc/53/77/23/411537723.db2.gz YHACIUCPZRVYJD-MJBXVCDLSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849723 411537724 /nfs/dbraw/zinc/53/77/24/411537724.db2.gz YHACIUCPZRVYJD-MJBXVCDLSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849725 411537822 /nfs/dbraw/zinc/53/78/22/411537822.db2.gz YHACIUCPZRVYJD-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849725 411537824 /nfs/dbraw/zinc/53/78/24/411537824.db2.gz YHACIUCPZRVYJD-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849718 411538183 /nfs/dbraw/zinc/53/81/83/411538183.db2.gz YHACIUCPZRVYJD-IHRRRGAJSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849718 411538186 /nfs/dbraw/zinc/53/81/86/411538186.db2.gz YHACIUCPZRVYJD-IHRRRGAJSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657564260 411552111 /nfs/dbraw/zinc/55/21/11/411552111.db2.gz YASNIMZJRRDNNA-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564260 411552112 /nfs/dbraw/zinc/55/21/12/411552112.db2.gz YASNIMZJRRDNNA-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP CCc1ccc(C)[nH+]c1NCc1[nH]c(C)c(C)[nH+]1 ZINC000657578430 411554178 /nfs/dbraw/zinc/55/41/78/411554178.db2.gz KNDQPQGZMZAEQD-UHFFFAOYSA-N 2 2 244.342 2.904 20 0 BFADLP CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000085976066 170159148 /nfs/dbraw/zinc/15/91/48/170159148.db2.gz UUTCWIBHBXJWPA-LLVKDONJSA-N 2 2 215.300 2.543 20 0 BFADLP CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000293801340 170166796 /nfs/dbraw/zinc/16/67/96/170166796.db2.gz RECSTWKESOQOMA-HIFRSBDPSA-N 2 2 232.371 2.649 20 0 BFADLP CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000293801340 170166798 /nfs/dbraw/zinc/16/67/98/170166798.db2.gz RECSTWKESOQOMA-HIFRSBDPSA-N 2 2 232.371 2.649 20 0 BFADLP CC[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000293801346 170166943 /nfs/dbraw/zinc/16/69/43/170166943.db2.gz RECSTWKESOQOMA-ZFWWWQNUSA-N 2 2 232.371 2.649 20 0 BFADLP CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000293801346 170166944 /nfs/dbraw/zinc/16/69/44/170166944.db2.gz RECSTWKESOQOMA-ZFWWWQNUSA-N 2 2 232.371 2.649 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCCC2CCC2)C[N@@H+]1C1CC1 ZINC000657665077 411576972 /nfs/dbraw/zinc/57/69/72/411576972.db2.gz DDIZERLBMXTINS-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCCC2CCC2)C[N@H+]1C1CC1 ZINC000657665077 411576973 /nfs/dbraw/zinc/57/69/73/411576973.db2.gz DDIZERLBMXTINS-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000657741233 411588896 /nfs/dbraw/zinc/58/88/96/411588896.db2.gz FTBDGFBUDUQGNC-GFCCVEGCSA-N 2 2 246.345 2.638 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1 ZINC000657741233 411588897 /nfs/dbraw/zinc/58/88/97/411588897.db2.gz FTBDGFBUDUQGNC-GFCCVEGCSA-N 2 2 246.345 2.638 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000657742934 411589533 /nfs/dbraw/zinc/58/95/33/411589533.db2.gz XEIVTGLFRDOWLS-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000657742934 411589535 /nfs/dbraw/zinc/58/95/35/411589535.db2.gz XEIVTGLFRDOWLS-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660551039 411599026 /nfs/dbraw/zinc/59/90/26/411599026.db2.gz YLOSXTIVWNTKCP-LJIZCISZSA-N 2 2 248.414 2.591 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660551039 411599028 /nfs/dbraw/zinc/59/90/28/411599028.db2.gz YLOSXTIVWNTKCP-LJIZCISZSA-N 2 2 248.414 2.591 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)C(C)(C)C(F)F ZINC000657818811 411606430 /nfs/dbraw/zinc/60/64/30/411606430.db2.gz UTCIWWXFHWNUHU-JTQLQIEISA-N 2 2 245.317 2.543 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657820572 411606851 /nfs/dbraw/zinc/60/68/51/411606851.db2.gz MITAGCLPNVRVSC-QWRGUYRKSA-N 2 2 248.361 2.740 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657820572 411606852 /nfs/dbraw/zinc/60/68/52/411606852.db2.gz MITAGCLPNVRVSC-QWRGUYRKSA-N 2 2 248.361 2.740 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](CCC1CC1)CC1CC1 ZINC000663503280 411688198 /nfs/dbraw/zinc/68/81/98/411688198.db2.gz NAPAAPYTSCJARU-OAHLLOKOSA-N 2 2 238.419 2.872 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](CCC1CC1)CC1CC1 ZINC000663503280 411688204 /nfs/dbraw/zinc/68/82/04/411688204.db2.gz NAPAAPYTSCJARU-OAHLLOKOSA-N 2 2 238.419 2.872 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+]Cc1ccc(CC(C)C)cc1 ZINC000663509089 411689164 /nfs/dbraw/zinc/68/91/64/411689164.db2.gz WGUMTRRVKGXUBW-ZDUSSCGKSA-N 2 2 234.387 2.583 20 0 BFADLP CCC1(CC)CCC[N@H+](CCn2cc[nH+]c2)C1 ZINC000661672117 411834075 /nfs/dbraw/zinc/83/40/75/411834075.db2.gz KSMUSMGLTLVGAH-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CCC1(CC)CCC[N@@H+](CCn2cc[nH+]c2)C1 ZINC000661672117 411834079 /nfs/dbraw/zinc/83/40/79/411834079.db2.gz KSMUSMGLTLVGAH-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP Cc1cccc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)[nH+]1 ZINC000664142326 411869789 /nfs/dbraw/zinc/86/97/89/411869789.db2.gz IPYWDRUMWFBCKA-LBPRGKRZSA-N 2 2 233.359 2.675 20 0 BFADLP Cc1cccc(NC[C@@H]2CC[N@H+]2C(C)(C)C)[nH+]1 ZINC000664142326 411869791 /nfs/dbraw/zinc/86/97/91/411869791.db2.gz IPYWDRUMWFBCKA-LBPRGKRZSA-N 2 2 233.359 2.675 20 0 BFADLP c1ccc(NCC2CC[NH+](CC3CC3)CC2)[nH+]c1 ZINC000664647671 412006404 /nfs/dbraw/zinc/00/64/04/412006404.db2.gz RSFDAZSZIFWZTP-UHFFFAOYSA-N 2 2 245.370 2.616 20 0 BFADLP Cc1cc[nH+]c(N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000664456015 411963189 /nfs/dbraw/zinc/96/31/89/411963189.db2.gz GUFGWQOJCDZKJP-CQSZACIVSA-N 2 2 247.386 2.922 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](Cc2cccc(C(C)C)c2)C1 ZINC000662247729 412045111 /nfs/dbraw/zinc/04/51/11/412045111.db2.gz ZIRBRVLLGWWNTI-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cccc(C(C)C)c2)C1 ZINC000662247729 412045114 /nfs/dbraw/zinc/04/51/14/412045114.db2.gz ZIRBRVLLGWWNTI-INIZCTEOSA-N 2 2 246.398 2.994 20 0 BFADLP CC[C@@H]1CC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000292402421 171023541 /nfs/dbraw/zinc/02/35/41/171023541.db2.gz LJQKOYKGSVGSNT-CQSZACIVSA-N 2 2 241.338 2.857 20 0 BFADLP CC[C@@H]1CC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000292402421 171023546 /nfs/dbraw/zinc/02/35/46/171023546.db2.gz LJQKOYKGSVGSNT-CQSZACIVSA-N 2 2 241.338 2.857 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H](C)[NH+](C)C ZINC000128479015 171125981 /nfs/dbraw/zinc/12/59/81/171125981.db2.gz HGASGHOPPCJTLW-SYQHCUMBSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000187577591 171156225 /nfs/dbraw/zinc/15/62/25/171156225.db2.gz NPRMLVBMSCIOIA-GXTWGEPZSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000187577591 171156227 /nfs/dbraw/zinc/15/62/27/171156227.db2.gz NPRMLVBMSCIOIA-GXTWGEPZSA-N 2 2 243.354 2.955 20 0 BFADLP CC[C@H](C)C[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179753733 171274992 /nfs/dbraw/zinc/27/49/92/171274992.db2.gz IQNFPFAZMAENLK-LBPRGKRZSA-N 2 2 231.343 2.812 20 0 BFADLP CC[C@H](C)C[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179753733 171274993 /nfs/dbraw/zinc/27/49/93/171274993.db2.gz IQNFPFAZMAENLK-LBPRGKRZSA-N 2 2 231.343 2.812 20 0 BFADLP CC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034973326 171348421 /nfs/dbraw/zinc/34/84/21/171348421.db2.gz ONHTUKNUYHHZES-ZFWWWQNUSA-N 2 2 232.371 2.649 20 0 BFADLP CC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034973326 171348422 /nfs/dbraw/zinc/34/84/22/171348422.db2.gz ONHTUKNUYHHZES-ZFWWWQNUSA-N 2 2 232.371 2.649 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767594 171364873 /nfs/dbraw/zinc/36/48/73/171364873.db2.gz NSNFEKSUUSDEGC-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CC2CC1(C[NH3+])C2 ZINC000662305161 412090425 /nfs/dbraw/zinc/09/04/25/412090425.db2.gz ZWJAGZOMFVEHQT-XGTXGMFGSA-N 2 2 248.345 2.700 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CC2CC1(C[NH3+])C2 ZINC000662305161 412090431 /nfs/dbraw/zinc/09/04/31/412090431.db2.gz ZWJAGZOMFVEHQT-XGTXGMFGSA-N 2 2 248.345 2.700 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH2+]C)c1cccc(Cl)c1 ZINC000665294507 412241115 /nfs/dbraw/zinc/24/11/15/412241115.db2.gz QBEJMJRJMLDNEF-GXFFZTMASA-N 2 2 240.778 2.989 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1cccc2C ZINC000665296090 412243424 /nfs/dbraw/zinc/24/34/24/412243424.db2.gz MRZPCXXQQAIRIM-OBJOEFQTSA-N 2 2 232.371 2.741 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1C ZINC000665296931 412244485 /nfs/dbraw/zinc/24/44/85/412244485.db2.gz ZXEHHNBLQVIDJT-DGCLKSJQSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000665298346 412246944 /nfs/dbraw/zinc/24/69/44/412246944.db2.gz VFFRFTCBXCCORA-NHCYSSNCSA-N 2 2 238.400 2.884 20 0 BFADLP CCn1cc[nH+]c1[C@H](C)Nc1cc(C)cc[nH+]1 ZINC000296942645 172230083 /nfs/dbraw/zinc/23/00/83/172230083.db2.gz QMIGDOHATQPOKB-NSHDSACASA-N 2 2 230.315 2.780 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C(C1CCC1)C1CCC1 ZINC000336722155 172395769 /nfs/dbraw/zinc/39/57/69/172395769.db2.gz XYXJXJJPYIHKFE-UHFFFAOYSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](C)(F)C1 ZINC000336268849 173007143 /nfs/dbraw/zinc/00/71/43/173007143.db2.gz RNSAARVTLLUOBX-UONOGXRCSA-N 2 2 242.382 2.685 20 0 BFADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](C)(F)C1 ZINC000336268849 173007145 /nfs/dbraw/zinc/00/71/45/173007145.db2.gz RNSAARVTLLUOBX-UONOGXRCSA-N 2 2 242.382 2.685 20 0 BFADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@](C)(F)C1 ZINC000336268849 173007147 /nfs/dbraw/zinc/00/71/47/173007147.db2.gz RNSAARVTLLUOBX-UONOGXRCSA-N 2 2 242.382 2.685 20 0 BFADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@](C)(F)C1 ZINC000336268849 173007151 /nfs/dbraw/zinc/00/71/51/173007151.db2.gz RNSAARVTLLUOBX-UONOGXRCSA-N 2 2 242.382 2.685 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCCCCCC1 ZINC000107792374 173033007 /nfs/dbraw/zinc/03/30/07/173033007.db2.gz OUTCQDXBBQZXPY-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CCCCCCC1 ZINC000107792374 173033009 /nfs/dbraw/zinc/03/30/09/173033009.db2.gz OUTCQDXBBQZXPY-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP C[NH2+]C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000049530901 173324010 /nfs/dbraw/zinc/32/40/10/173324010.db2.gz GSPBHSAFLZAKDK-NSHDSACASA-N 2 2 236.334 2.571 20 0 BFADLP C[NH2+]C1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000049530902 173324028 /nfs/dbraw/zinc/32/40/28/173324028.db2.gz GSPBHSAFLZAKDK-LLVKDONJSA-N 2 2 236.334 2.571 20 0 BFADLP C[NH2+]CC[N@H+](C)Cc1ccc(CC(C)C)cc1 ZINC000094901363 173352478 /nfs/dbraw/zinc/35/24/78/173352478.db2.gz WGEWMOQOLYAGBA-UHFFFAOYSA-N 2 2 234.387 2.536 20 0 BFADLP C[NH2+]CC[N@@H+](C)Cc1ccc(CC(C)C)cc1 ZINC000094901363 173352479 /nfs/dbraw/zinc/35/24/79/173352479.db2.gz WGEWMOQOLYAGBA-UHFFFAOYSA-N 2 2 234.387 2.536 20 0 BFADLP C[C@H](C[NH2+]Cc1c[nH+]c2n1CCCC2)C(C)(C)C ZINC000671312029 487627387 /nfs/dbraw/zinc/62/73/87/487627387.db2.gz YTFPGGCWNYSTRY-GFCCVEGCSA-N 2 2 249.402 2.991 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000564822383 322931073 /nfs/dbraw/zinc/93/10/73/322931073.db2.gz MOZPYUXGHUFYER-OAHLLOKOSA-N 2 2 232.371 2.727 20 0 BFADLP C[C@@H](c1ccccn1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245623937 176026357 /nfs/dbraw/zinc/02/63/57/176026357.db2.gz OLUHMCSQUGEOJO-UONOGXRCSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1ccccn1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245623937 176026359 /nfs/dbraw/zinc/02/63/59/176026359.db2.gz OLUHMCSQUGEOJO-UONOGXRCSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1ccccn1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245623937 176026360 /nfs/dbraw/zinc/02/63/60/176026360.db2.gz OLUHMCSQUGEOJO-UONOGXRCSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1ccccn1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245623937 176026362 /nfs/dbraw/zinc/02/63/62/176026362.db2.gz OLUHMCSQUGEOJO-UONOGXRCSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@@H](c1ccco1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245625705 176032049 /nfs/dbraw/zinc/03/20/49/176032049.db2.gz OWUAJGCPYMCBEO-QWHCGFSZSA-N 2 2 236.359 2.757 20 0 BFADLP C[C@@H](c1ccco1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245625705 176032052 /nfs/dbraw/zinc/03/20/52/176032052.db2.gz OWUAJGCPYMCBEO-QWHCGFSZSA-N 2 2 236.359 2.757 20 0 BFADLP C[C@@H](c1ccco1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245625705 176032054 /nfs/dbraw/zinc/03/20/54/176032054.db2.gz OWUAJGCPYMCBEO-QWHCGFSZSA-N 2 2 236.359 2.757 20 0 BFADLP C[C@@H](c1ccco1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245625705 176032055 /nfs/dbraw/zinc/03/20/55/176032055.db2.gz OWUAJGCPYMCBEO-QWHCGFSZSA-N 2 2 236.359 2.757 20 0 BFADLP C[C@@H]1CC[N@H+](C/C=C/Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129395208 176166565 /nfs/dbraw/zinc/16/65/65/176166565.db2.gz SKDIUJPSKMIRLP-OURHSOLNSA-N 2 2 239.750 2.519 20 0 BFADLP C[C@@H]1CC[N@@H+](C/C=C/Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129395208 176166568 /nfs/dbraw/zinc/16/65/68/176166568.db2.gz SKDIUJPSKMIRLP-OURHSOLNSA-N 2 2 239.750 2.519 20 0 BFADLP C[C@@H]1CC[N@H+](CCCCF)C[C@@H]1n1cc[nH+]c1 ZINC000375714712 176169081 /nfs/dbraw/zinc/16/90/81/176169081.db2.gz QFJRMEXZCIIDPJ-OLZOCXBDSA-N 2 2 239.338 2.516 20 0 BFADLP C[C@@H]1CC[N@@H+](CCCCF)C[C@@H]1n1cc[nH+]c1 ZINC000375714712 176169082 /nfs/dbraw/zinc/16/90/82/176169082.db2.gz QFJRMEXZCIIDPJ-OLZOCXBDSA-N 2 2 239.338 2.516 20 0 BFADLP C[C@@H]1CC[N@H+](CCCn2cc[nH+]c2)CC12CCC2 ZINC000375005397 176170177 /nfs/dbraw/zinc/17/01/77/176170177.db2.gz NYQGGUWXJUUKQA-CQSZACIVSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2)CC12CCC2 ZINC000375005397 176170179 /nfs/dbraw/zinc/17/01/79/176170179.db2.gz NYQGGUWXJUUKQA-CQSZACIVSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1C ZINC000180307110 176176652 /nfs/dbraw/zinc/17/66/52/176176652.db2.gz NTVKFDGBEMXBMQ-OLZOCXBDSA-N 2 2 243.354 2.812 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@@H]1C ZINC000180307110 176176653 /nfs/dbraw/zinc/17/66/53/176176653.db2.gz NTVKFDGBEMXBMQ-OLZOCXBDSA-N 2 2 243.354 2.812 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC[NH+](C)C)c2ccccc21 ZINC000136950808 176232973 /nfs/dbraw/zinc/23/29/73/176232973.db2.gz DCMCIYGFOCHFLQ-DOMZBBRYSA-N 2 2 232.371 2.776 20 0 BFADLP C[C@@H]1CC[C@]2(CC[N@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000364680687 176238799 /nfs/dbraw/zinc/23/87/99/176238799.db2.gz AXGSKZNESPJSRL-CABCVRRESA-N 2 2 247.386 2.785 20 0 BFADLP C[C@@H]1CC[C@]2(CC[N@@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000364680687 176238800 /nfs/dbraw/zinc/23/88/00/176238800.db2.gz AXGSKZNESPJSRL-CABCVRRESA-N 2 2 247.386 2.785 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000341289486 176277110 /nfs/dbraw/zinc/27/71/10/176277110.db2.gz HADODELAFQJEDX-UKRRQHHQSA-N 2 2 246.398 2.504 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CC(C)(C)c1ccccc1 ZINC000341289486 176277111 /nfs/dbraw/zinc/27/71/11/176277111.db2.gz HADODELAFQJEDX-UKRRQHHQSA-N 2 2 246.398 2.504 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000358388221 176277425 /nfs/dbraw/zinc/27/74/25/176277425.db2.gz CDMMSIMDEAGHFC-DAXOMENPSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000358388221 176277427 /nfs/dbraw/zinc/27/74/27/176277427.db2.gz CDMMSIMDEAGHFC-DAXOMENPSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000340422900 176281366 /nfs/dbraw/zinc/28/13/66/176281366.db2.gz YURRBDVKVWNYQC-OMCINKPGSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000340422900 176281367 /nfs/dbraw/zinc/28/13/67/176281367.db2.gz YURRBDVKVWNYQC-OMCINKPGSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000353276637 176281904 /nfs/dbraw/zinc/28/19/04/176281904.db2.gz WNRQDQPPXHDQFZ-VHDGCEQUSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000353276637 176281902 /nfs/dbraw/zinc/28/19/02/176281902.db2.gz WNRQDQPPXHDQFZ-VHDGCEQUSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000292880188 176302988 /nfs/dbraw/zinc/30/29/88/176302988.db2.gz CAZXDQRICYPTFZ-CHWSQXEVSA-N 2 2 241.338 2.713 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)[C@@H]1C ZINC000292880188 176302989 /nfs/dbraw/zinc/30/29/89/176302989.db2.gz CAZXDQRICYPTFZ-CHWSQXEVSA-N 2 2 241.338 2.713 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000289326389 176376680 /nfs/dbraw/zinc/37/66/80/176376680.db2.gz VFVJBJWKANTEAE-DVOMOZLQSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC000289326389 176376682 /nfs/dbraw/zinc/37/66/82/176376682.db2.gz VFVJBJWKANTEAE-DVOMOZLQSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC3)CC2)C[N@@H+]1C1CC1 ZINC000362915021 176420163 /nfs/dbraw/zinc/42/01/63/176420163.db2.gz XUXGQQLUTRQKHI-OCCSQVGLSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CCC3(CC3)CC2)C[N@H+]1C1CC1 ZINC000362915021 176420165 /nfs/dbraw/zinc/42/01/65/176420165.db2.gz XUXGQQLUTRQKHI-OCCSQVGLSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1ccsc1Cl ZINC000336751737 176626470 /nfs/dbraw/zinc/62/64/70/176626470.db2.gz GRAOQFKHSKGYDM-SECBINFHSA-N 2 2 246.807 2.831 20 0 BFADLP C[C@H]([NH2+]CC[NH+](C)C)c1ccc2c(c1)CCCC2 ZINC000020083749 176848161 /nfs/dbraw/zinc/84/81/61/176848161.db2.gz NIJADWQERJGUSA-ZDUSSCGKSA-N 2 2 246.398 2.778 20 0 BFADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[NH2+]CC1 ZINC000022045922 177037015 /nfs/dbraw/zinc/03/70/15/177037015.db2.gz JBAXESNOFDKBML-LLVKDONJSA-N 2 2 238.762 2.696 20 0 BFADLP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[NH2+]CC1 ZINC000022045922 177037016 /nfs/dbraw/zinc/03/70/16/177037016.db2.gz JBAXESNOFDKBML-LLVKDONJSA-N 2 2 238.762 2.696 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CCC2)C1 ZINC000341421576 177039857 /nfs/dbraw/zinc/03/98/57/177039857.db2.gz IMOWQTSOZWVRCV-CJNGLKHVSA-N 2 2 244.382 2.964 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CCC2)C1 ZINC000341421576 177039859 /nfs/dbraw/zinc/03/98/59/177039859.db2.gz IMOWQTSOZWVRCV-CJNGLKHVSA-N 2 2 244.382 2.964 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337409843 177097682 /nfs/dbraw/zinc/09/76/82/177097682.db2.gz VKCAJCFUZHFVSF-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC23CCC3)C1 ZINC000337409843 177097684 /nfs/dbraw/zinc/09/76/84/177097684.db2.gz VKCAJCFUZHFVSF-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C ZINC000360772027 177119583 /nfs/dbraw/zinc/11/95/83/177119583.db2.gz KVKINNJRBPPHQY-QRTUWBSPSA-N 2 2 238.419 2.598 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCC[C@H](C)[C@H]1C ZINC000360772027 177119585 /nfs/dbraw/zinc/11/95/85/177119585.db2.gz KVKINNJRBPPHQY-QRTUWBSPSA-N 2 2 238.419 2.598 20 0 BFADLP C[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000179475270 177170108 /nfs/dbraw/zinc/17/01/08/177170108.db2.gz GWIABKNBDOWRDK-KKUMJFAQSA-N 2 2 245.370 2.875 20 0 BFADLP C[C@H]1CC[N@H+]([C@H]2C=CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000179475270 177170110 /nfs/dbraw/zinc/17/01/10/177170110.db2.gz GWIABKNBDOWRDK-KKUMJFAQSA-N 2 2 245.370 2.875 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180310469 177183691 /nfs/dbraw/zinc/18/36/91/177183691.db2.gz GLAWIGCDIUYETO-OLZOCXBDSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000180310469 177183692 /nfs/dbraw/zinc/18/36/92/177183692.db2.gz GLAWIGCDIUYETO-OLZOCXBDSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1CC[C@]2(CC[N@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000364680688 177208393 /nfs/dbraw/zinc/20/83/93/177208393.db2.gz AXGSKZNESPJSRL-GJZGRUSLSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@H]1CC[C@]2(CC[N@@H+](CCCn3cc[nH+]c3)C2)C1 ZINC000364680688 177208396 /nfs/dbraw/zinc/20/83/96/177208396.db2.gz AXGSKZNESPJSRL-GJZGRUSLSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000336594815 177318789 /nfs/dbraw/zinc/31/87/89/177318789.db2.gz MWWRXEYWRPCKNW-NWDGAFQWSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000336594815 177318790 /nfs/dbraw/zinc/31/87/90/177318790.db2.gz MWWRXEYWRPCKNW-NWDGAFQWSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccs2)CC[N@@H+]1C ZINC000093644036 177327610 /nfs/dbraw/zinc/32/76/10/177327610.db2.gz BWRVLUXBEQEZSV-RYUDHWBXSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@@H]([NH+](C)Cc2cccs2)CC[N@H+]1C ZINC000093644036 177327612 /nfs/dbraw/zinc/32/76/12/177327612.db2.gz BWRVLUXBEQEZSV-RYUDHWBXSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cccs2)CC[NH+]1C ZINC000093644036 177327613 /nfs/dbraw/zinc/32/76/13/177327613.db2.gz BWRVLUXBEQEZSV-RYUDHWBXSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccs2)CC[NH+]1C ZINC000093644036 177327614 /nfs/dbraw/zinc/32/76/14/177327614.db2.gz BWRVLUXBEQEZSV-RYUDHWBXSA-N 2 2 238.400 2.663 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC3)CC2)C[N@@H+]1C1CC1 ZINC000362915019 177331033 /nfs/dbraw/zinc/33/10/33/177331033.db2.gz XUXGQQLUTRQKHI-GXTWGEPZSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CCC3(CC3)CC2)C[N@H+]1C1CC1 ZINC000362915019 177331035 /nfs/dbraw/zinc/33/10/35/177331035.db2.gz XUXGQQLUTRQKHI-GXTWGEPZSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CCCCCC2)C[N@@H+]1C1CC1 ZINC000122284974 177331475 /nfs/dbraw/zinc/33/14/75/177331475.db2.gz XGMXLBDAEKGYNV-GXTWGEPZSA-N 2 2 236.403 2.924 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CCCCCC2)C[N@H+]1C1CC1 ZINC000122284974 177331478 /nfs/dbraw/zinc/33/14/78/177331478.db2.gz XGMXLBDAEKGYNV-GXTWGEPZSA-N 2 2 236.403 2.924 20 0 BFADLP C[C@H]1C[C@@H]1C[NH2+]CCCCNc1cccc[nH+]1 ZINC000488418193 225394299 /nfs/dbraw/zinc/39/42/99/225394299.db2.gz MZXSFTFPTYREFP-QWHCGFSZSA-N 2 2 233.359 2.519 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000494396187 226264528 /nfs/dbraw/zinc/26/45/28/226264528.db2.gz ZEPAVJSIGCJQLF-MCIONIFRSA-N 2 2 247.386 2.614 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494413885 226264747 /nfs/dbraw/zinc/26/47/47/226264747.db2.gz UWGVPMGOKNPFRP-MCIONIFRSA-N 2 2 247.386 2.614 20 0 BFADLP C[C@H]1CC([NH2+][C@@H]2CCn3cc[nH+]c3C2)C[C@H](C)C1 ZINC000494409782 226264816 /nfs/dbraw/zinc/26/48/16/226264816.db2.gz CKMUBBDFNDARPS-JHJVBQTASA-N 2 2 247.386 2.612 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000494892547 226270988 /nfs/dbraw/zinc/27/09/88/226270988.db2.gz TYFFMKHKVYINBD-XLWJZTARSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000494892547 226270989 /nfs/dbraw/zinc/27/09/89/226270989.db2.gz TYFFMKHKVYINBD-XLWJZTARSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)[C@@H]1C ZINC000494926490 226271259 /nfs/dbraw/zinc/27/12/59/226271259.db2.gz XYWSWOPRCFSBDM-YRGRVCCFSA-N 2 2 243.354 2.511 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000398041557 262713744 /nfs/dbraw/zinc/71/37/44/262713744.db2.gz QNNQFVPNKCACCV-SWLSCSKDSA-N 2 2 232.371 2.855 20 0 BFADLP CC1(C)CC([NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000528004101 262899750 /nfs/dbraw/zinc/89/97/50/262899750.db2.gz VFNRUEVIPATGII-AWEZNQCLSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000528004101 262899752 /nfs/dbraw/zinc/89/97/52/262899752.db2.gz VFNRUEVIPATGII-AWEZNQCLSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]CC1([NH+](C)C)CC1)C1CCCCC1 ZINC000397770950 262932736 /nfs/dbraw/zinc/93/27/36/262932736.db2.gz LSBIOTQHOHBTIL-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675767896 487776301 /nfs/dbraw/zinc/77/63/01/487776301.db2.gz UXOUCHPTPPPPHE-DZKIICNBSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675767896 487776303 /nfs/dbraw/zinc/77/63/03/487776303.db2.gz UXOUCHPTPPPPHE-DZKIICNBSA-N 2 2 246.398 2.862 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000675767955 487776331 /nfs/dbraw/zinc/77/63/31/487776331.db2.gz UZVNERTXVCNRMQ-CJNGLKHVSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000675767955 487776334 /nfs/dbraw/zinc/77/63/34/487776334.db2.gz UZVNERTXVCNRMQ-CJNGLKHVSA-N 2 2 244.382 2.666 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000675834206 487783980 /nfs/dbraw/zinc/78/39/80/487783980.db2.gz SHUXLBPQYQFMIZ-QLFBSQMISA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000675834206 487783982 /nfs/dbraw/zinc/78/39/82/487783982.db2.gz SHUXLBPQYQFMIZ-QLFBSQMISA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000675884528 487785061 /nfs/dbraw/zinc/78/50/61/487785061.db2.gz VXMRVUFEBDZNGX-YRGRVCCFSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000675884528 487785066 /nfs/dbraw/zinc/78/50/66/487785066.db2.gz VXMRVUFEBDZNGX-YRGRVCCFSA-N 2 2 238.419 2.741 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000681366406 487785494 /nfs/dbraw/zinc/78/54/94/487785494.db2.gz UWOVAOGQWRBJNW-RRFJBIMHSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000681366406 487785497 /nfs/dbraw/zinc/78/54/97/487785497.db2.gz UWOVAOGQWRBJNW-RRFJBIMHSA-N 2 2 236.403 2.663 20 0 BFADLP CCCc1cccc(C[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000681366346 487785554 /nfs/dbraw/zinc/78/55/54/487785554.db2.gz PNOWXHCYMWCRGU-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1cccc(C[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000681366346 487785561 /nfs/dbraw/zinc/78/55/61/487785561.db2.gz PNOWXHCYMWCRGU-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000675930317 487794404 /nfs/dbraw/zinc/79/44/04/487794404.db2.gz ORQSHRIKYWXCEC-BZPMIXESSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000675930317 487794409 /nfs/dbraw/zinc/79/44/09/487794409.db2.gz ORQSHRIKYWXCEC-BZPMIXESSA-N 2 2 236.403 2.780 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000651814352 487834486 /nfs/dbraw/zinc/83/44/86/487834486.db2.gz QZWZAXNESHRPKD-BYCMXARLSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000651814352 487834490 /nfs/dbraw/zinc/83/44/90/487834490.db2.gz QZWZAXNESHRPKD-BYCMXARLSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000681108323 487840553 /nfs/dbraw/zinc/84/05/53/487840553.db2.gz JYELAFOCCFGTAT-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000681108323 487840559 /nfs/dbraw/zinc/84/05/59/487840559.db2.gz JYELAFOCCFGTAT-WFASDCNBSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+](CCC(F)(F)F)C[C@@H]([NH3+])CC(C)C ZINC000666635612 487848738 /nfs/dbraw/zinc/84/87/38/487848738.db2.gz IAABWWIGEHOAER-JTQLQIEISA-N 2 2 240.313 2.634 20 0 BFADLP CC[N@@H+](CCC(F)(F)F)C[C@@H]([NH3+])CC(C)C ZINC000666635612 487848743 /nfs/dbraw/zinc/84/87/43/487848743.db2.gz IAABWWIGEHOAER-JTQLQIEISA-N 2 2 240.313 2.634 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313249439 487862791 /nfs/dbraw/zinc/86/27/91/487862791.db2.gz AODLUGCQAVSUMU-KGLIPLIRSA-N 2 2 249.402 2.911 20 0 BFADLP C[C@@H](C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC000670264871 487867585 /nfs/dbraw/zinc/86/75/85/487867585.db2.gz LQQIZVSQEIHBON-MJBXVCDLSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H](C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC000670264871 487867589 /nfs/dbraw/zinc/86/75/89/487867589.db2.gz LQQIZVSQEIHBON-MJBXVCDLSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000670264871 487867594 /nfs/dbraw/zinc/86/75/94/487867594.db2.gz LQQIZVSQEIHBON-MJBXVCDLSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H](C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC000670264871 487867598 /nfs/dbraw/zinc/86/75/98/487867598.db2.gz LQQIZVSQEIHBON-MJBXVCDLSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1C(C)(C)C1(C)C ZINC000676560183 487872780 /nfs/dbraw/zinc/87/27/80/487872780.db2.gz JDTNEWJKRAWPJF-NEPJUHHUSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1C(C)(C)C1(C)C ZINC000676560183 487872785 /nfs/dbraw/zinc/87/27/85/487872785.db2.gz JDTNEWJKRAWPJF-NEPJUHHUSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000666860478 487873562 /nfs/dbraw/zinc/87/35/62/487873562.db2.gz BZWGGDVXSSLKRP-BLLLJJGKSA-N 2 2 244.382 2.652 20 0 BFADLP Cc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)s1 ZINC000666769261 487875567 /nfs/dbraw/zinc/87/55/67/487875567.db2.gz XBFQKUZXAPLWPN-ZDUSSCGKSA-N 2 2 238.400 2.597 20 0 BFADLP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccco1 ZINC000652220683 487885530 /nfs/dbraw/zinc/88/55/30/487885530.db2.gz GWGHXOOWPJAXBS-ZDUSSCGKSA-N 2 2 238.375 2.908 20 0 BFADLP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccco1 ZINC000652220683 487885535 /nfs/dbraw/zinc/88/55/35/487885535.db2.gz GWGHXOOWPJAXBS-ZDUSSCGKSA-N 2 2 238.375 2.908 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000676642965 487885931 /nfs/dbraw/zinc/88/59/31/487885931.db2.gz GPTLVMSLKGHLBJ-OMDKTOEGSA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]C/C=C/c2ccc(F)cc2)C1 ZINC000676642965 487885934 /nfs/dbraw/zinc/88/59/34/487885934.db2.gz GPTLVMSLKGHLBJ-OMDKTOEGSA-N 2 2 248.345 2.523 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1ccccc1C1CC1 ZINC000666820055 487885958 /nfs/dbraw/zinc/88/59/58/487885958.db2.gz JXKKSCAFHCTJIS-UHFFFAOYSA-N 2 2 232.371 2.653 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]Cc2cscc2Cl)CC[NH2+]1 ZINC000666873267 487895728 /nfs/dbraw/zinc/89/57/28/487895728.db2.gz RKOFIOHPGYJRHT-SCZZXKLOSA-N 2 2 244.791 2.632 20 0 BFADLP C[C@@H](C[NH2+]CC[NH+]1CCC(C)CC1)C(C)(C)C ZINC000310251395 487898069 /nfs/dbraw/zinc/89/80/69/487898069.db2.gz YCRYWNVYEKFLHH-AWEZNQCLSA-N 2 2 240.435 2.990 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000083435608 487912696 /nfs/dbraw/zinc/91/26/96/487912696.db2.gz PRHNULXIQWJHPH-MGPQQGTHSA-N 2 2 226.408 2.885 20 0 BFADLP CC1(C)CCC[NH+]1CC[N@H+]1CCCC1(C)C ZINC000561586359 323004378 /nfs/dbraw/zinc/00/43/78/323004378.db2.gz OQAOJALZOIIWCN-UHFFFAOYSA-N 2 2 224.392 2.735 20 0 BFADLP CC1(C)CCC[NH+]1CC[N@@H+]1CCCC1(C)C ZINC000561586359 323004379 /nfs/dbraw/zinc/00/43/79/323004379.db2.gz OQAOJALZOIIWCN-UHFFFAOYSA-N 2 2 224.392 2.735 20 0 BFADLP CC[C@H](C[NH2+][C@@H](C(C)C)C1CC1)[NH+]1CCCC1 ZINC000151714574 323025066 /nfs/dbraw/zinc/02/50/66/323025066.db2.gz SRXJOJHHSWTZHA-CABCVRRESA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)[C@H]1C[C@@H]1C ZINC000565242395 323037408 /nfs/dbraw/zinc/03/74/08/323037408.db2.gz FDCACXXCLXYHBY-XQLPTFJDSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000570897372 323073699 /nfs/dbraw/zinc/07/36/99/323073699.db2.gz SFXFUTNKBPMNOM-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H]2CCCC23CCC3)C1 ZINC000570897372 323073700 /nfs/dbraw/zinc/07/37/00/323073700.db2.gz SFXFUTNKBPMNOM-UONOGXRCSA-N 2 2 236.403 2.641 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c(C)c1 ZINC000516651879 323081320 /nfs/dbraw/zinc/08/13/20/323081320.db2.gz UJQLUJOVPGKFKC-IVMMDQJWSA-N 2 2 246.398 2.780 20 0 BFADLP C[C@@H]1CC[N@H+](CC(C)(C)[NH3+])[C@@H]2CCCC[C@H]12 ZINC000563137730 323094806 /nfs/dbraw/zinc/09/48/06/323094806.db2.gz MAOWWJLEXYEMAA-JHJVBQTASA-N 2 2 224.392 2.624 20 0 BFADLP C[C@@H]1CC[N@@H+](CC(C)(C)[NH3+])[C@@H]2CCCC[C@H]12 ZINC000563137730 323094807 /nfs/dbraw/zinc/09/48/07/323094807.db2.gz MAOWWJLEXYEMAA-JHJVBQTASA-N 2 2 224.392 2.624 20 0 BFADLP CCC(CC)(CC)C[NH2+]CC1([NH+](C)C)CC1 ZINC000397807305 323096811 /nfs/dbraw/zinc/09/68/11/323096811.db2.gz FLDKBGQCCUJVFK-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CC2)CC(C)(C)C1 ZINC000397866391 323099362 /nfs/dbraw/zinc/09/93/62/323099362.db2.gz HNKAWCPUADNCLA-QWHCGFSZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CC1 ZINC000531700376 323111784 /nfs/dbraw/zinc/11/17/84/323111784.db2.gz DMSMXAHTDDRRDG-CQSZACIVSA-N 2 2 235.375 2.688 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)n1C ZINC000563440987 323125950 /nfs/dbraw/zinc/12/59/50/323125950.db2.gz UPQIUQMVZVECJL-NTZNESFSSA-N 2 2 235.375 2.643 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH+]1CCC(C)CC1)C1CC1 ZINC000563442817 323126803 /nfs/dbraw/zinc/12/68/03/323126803.db2.gz AJGGCXAYHCXESH-HIFRSBDPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+]Cc2c[nH+]c(C)n2C)CC1 ZINC000572856506 323149227 /nfs/dbraw/zinc/14/92/27/323149227.db2.gz BYPVNEFYPJUCSG-JOCQHMNTSA-N 2 2 235.375 2.787 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394863558 323151585 /nfs/dbraw/zinc/15/15/85/323151585.db2.gz NJCWMAIVDRLWOH-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394863558 323151586 /nfs/dbraw/zinc/15/15/86/323151586.db2.gz NJCWMAIVDRLWOH-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000531960518 323158211 /nfs/dbraw/zinc/15/82/11/323158211.db2.gz WTKKKDPHTGNZOW-XGUBFFRZSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000531960518 323158212 /nfs/dbraw/zinc/15/82/12/323158212.db2.gz WTKKKDPHTGNZOW-XGUBFFRZSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000531983923 323163878 /nfs/dbraw/zinc/16/38/78/323163878.db2.gz MRTGRNOKCOXYTI-HUUCEWRRSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000531983923 323163879 /nfs/dbraw/zinc/16/38/79/323163879.db2.gz MRTGRNOKCOXYTI-HUUCEWRRSA-N 2 2 246.398 2.987 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1sccc1Cl ZINC000308903211 323180950 /nfs/dbraw/zinc/18/09/50/323180950.db2.gz UUIINXPMUYYBEB-BDAKNGLRSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1sccc1Cl ZINC000308903211 323180951 /nfs/dbraw/zinc/18/09/51/323180951.db2.gz UUIINXPMUYYBEB-BDAKNGLRSA-N 2 2 244.791 2.713 20 0 BFADLP CCCC1CCC([NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000532208503 323209853 /nfs/dbraw/zinc/20/98/53/323209853.db2.gz PUIOMBLRZFKRIS-XSCHDIRWSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000532208503 323209854 /nfs/dbraw/zinc/20/98/54/323209854.db2.gz PUIOMBLRZFKRIS-XSCHDIRWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000532240674 323211461 /nfs/dbraw/zinc/21/14/61/323211461.db2.gz WVOGTPHLVWKCDO-HIFRSBDPSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000532240674 323211464 /nfs/dbraw/zinc/21/14/64/323211464.db2.gz WVOGTPHLVWKCDO-HIFRSBDPSA-N 2 2 246.398 2.987 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@@H](C)c1ccccc1 ZINC000532249651 323211941 /nfs/dbraw/zinc/21/19/41/323211941.db2.gz XMZDDIBLFRJMQK-NYTXWWLZSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@@H](C)c1ccccc1 ZINC000532249651 323211942 /nfs/dbraw/zinc/21/19/42/323211942.db2.gz XMZDDIBLFRJMQK-NYTXWWLZSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1ccccc1F ZINC000530220513 323218614 /nfs/dbraw/zinc/21/86/14/323218614.db2.gz OIUAKNGNLUYGGO-RISCZKNCSA-N 2 2 248.345 2.761 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)s1 ZINC000395224438 323222020 /nfs/dbraw/zinc/22/20/20/323222020.db2.gz UAEXKPBEUCZTHA-WCQYABFASA-N 2 2 238.400 2.677 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000532450992 323268010 /nfs/dbraw/zinc/26/80/10/323268010.db2.gz OBERFUVCUOAHPW-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000532450992 323268012 /nfs/dbraw/zinc/26/80/12/323268012.db2.gz OBERFUVCUOAHPW-ZFWWWQNUSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCC1CCCCC1 ZINC000532450991 323268282 /nfs/dbraw/zinc/26/82/82/323268282.db2.gz OBERFUVCUOAHPW-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCC1CCCCC1 ZINC000532450991 323268284 /nfs/dbraw/zinc/26/82/84/323268284.db2.gz OBERFUVCUOAHPW-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1cccn2c(C[NH2+]CC3CC=CC3)c[nH+]c12 ZINC000527750250 323676646 /nfs/dbraw/zinc/67/66/46/323676646.db2.gz JDRDUOGRCXSVPT-UHFFFAOYSA-N 2 2 241.338 2.699 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000045105671 323837208 /nfs/dbraw/zinc/83/72/08/323837208.db2.gz HJKFHPVUYLTPQI-CHWSQXEVSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CCCCC2)C[N@H+]1C1CC1 ZINC000122321252 324040874 /nfs/dbraw/zinc/04/08/74/324040874.db2.gz MODJJJSDJKKSFP-YPMHNXCESA-N 2 2 222.376 2.534 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2CCCCC2)C[N@@H+]1C1CC1 ZINC000122321252 324040871 /nfs/dbraw/zinc/04/08/71/324040871.db2.gz MODJJJSDJKKSFP-YPMHNXCESA-N 2 2 222.376 2.534 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400795199 324168754 /nfs/dbraw/zinc/16/87/54/324168754.db2.gz SRVRPBMTSBDJDJ-GUTXKFCHSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530217663 324534424 /nfs/dbraw/zinc/53/44/24/324534424.db2.gz GWWWSECWFIPBJG-DZGCQCFKSA-N 2 2 244.382 2.930 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000130100092 325013193 /nfs/dbraw/zinc/01/31/93/325013193.db2.gz XCISWVOEZJSAFO-ZDUSSCGKSA-N 2 2 228.424 2.987 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000542791006 325048481 /nfs/dbraw/zinc/04/84/81/325048481.db2.gz MWAYAFZNQOBGEU-RRFJBIMHSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000542791006 325048484 /nfs/dbraw/zinc/04/84/84/325048484.db2.gz MWAYAFZNQOBGEU-RRFJBIMHSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000542791004 325049074 /nfs/dbraw/zinc/04/90/74/325049074.db2.gz MWAYAFZNQOBGEU-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000542791004 325049076 /nfs/dbraw/zinc/04/90/76/325049076.db2.gz MWAYAFZNQOBGEU-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[C@@H](C)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000130983478 325106397 /nfs/dbraw/zinc/10/63/97/325106397.db2.gz STNWNXAANBJWMJ-VXGBXAGGSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[C@@H](C)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000130983478 325106400 /nfs/dbraw/zinc/10/64/00/325106400.db2.gz STNWNXAANBJWMJ-VXGBXAGGSA-N 2 2 212.381 2.637 20 0 BFADLP CC(C)C[N@H+](CCn1cc[nH+]c1)CC(C)(C)C ZINC000131731879 325180117 /nfs/dbraw/zinc/18/01/17/325180117.db2.gz KKAZQAMKXCXIJI-UHFFFAOYSA-N 2 2 237.391 2.887 20 0 BFADLP CC(C)C[N@@H+](CCn1cc[nH+]c1)CC(C)(C)C ZINC000131731879 325180118 /nfs/dbraw/zinc/18/01/18/325180118.db2.gz KKAZQAMKXCXIJI-UHFFFAOYSA-N 2 2 237.391 2.887 20 0 BFADLP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000132010079 325194802 /nfs/dbraw/zinc/19/48/02/325194802.db2.gz XAJXSYIDKRJTJT-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[C@H]1[C@@H](C)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000132010079 325194804 /nfs/dbraw/zinc/19/48/04/325194804.db2.gz XAJXSYIDKRJTJT-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000132009503 325194891 /nfs/dbraw/zinc/19/48/91/325194891.db2.gz XAJXSYIDKRJTJT-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[C@@H]1[C@H](C)CCC[N@H+]1CCn1cc[nH+]c1 ZINC000132009503 325194893 /nfs/dbraw/zinc/19/48/93/325194893.db2.gz XAJXSYIDKRJTJT-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C1(CF)CCC1 ZINC000566248188 326023435 /nfs/dbraw/zinc/02/34/35/326023435.db2.gz SMRZPYPOFCIQSG-UHFFFAOYSA-N 2 2 236.334 2.804 20 0 BFADLP CCCC[C@@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155696245 326207859 /nfs/dbraw/zinc/20/78/59/326207859.db2.gz WHQZZIZPTIQZFB-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1CCCCC(C)(C)C1 ZINC000567515864 326208256 /nfs/dbraw/zinc/20/82/56/326208256.db2.gz FUMNIYLLCBLQSU-UHFFFAOYSA-N 2 2 249.402 2.865 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1CCCCC(C)(C)C1 ZINC000567515864 326208258 /nfs/dbraw/zinc/20/82/58/326208258.db2.gz FUMNIYLLCBLQSU-UHFFFAOYSA-N 2 2 249.402 2.865 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000158757640 326342839 /nfs/dbraw/zinc/34/28/39/326342839.db2.gz NZOVPXFCNPYCSU-CQSZACIVSA-N 2 2 248.414 2.894 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)C(C)(C)c1ccccc1 ZINC000158757640 326342842 /nfs/dbraw/zinc/34/28/42/326342842.db2.gz NZOVPXFCNPYCSU-CQSZACIVSA-N 2 2 248.414 2.894 20 0 BFADLP CC[C@H]1CC[C@H](C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000568527695 326362945 /nfs/dbraw/zinc/36/29/45/326362945.db2.gz XXKROMWXYPZRGG-STQMWFEESA-N 2 2 235.375 2.616 20 0 BFADLP CC[C@H]1CC[C@H](C)[N@H+]1CCCc1c[nH+]cn1C ZINC000568527695 326362946 /nfs/dbraw/zinc/36/29/46/326362946.db2.gz XXKROMWXYPZRGG-STQMWFEESA-N 2 2 235.375 2.616 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@@H+]2Cc1cccc(F)c1 ZINC000568901268 326382279 /nfs/dbraw/zinc/38/22/79/326382279.db2.gz ROQDIDSSVSZRJP-UHFFFAOYSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]CC12CCC(CC1)C[N@H+]2Cc1cccc(F)c1 ZINC000568901268 326382280 /nfs/dbraw/zinc/38/22/80/326382280.db2.gz ROQDIDSSVSZRJP-UHFFFAOYSA-N 2 2 248.345 2.529 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000569141182 326392859 /nfs/dbraw/zinc/39/28/59/326392859.db2.gz VCPVGSBRHWEZFE-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC2(CC(C)C)CC2)n1C ZINC000569237921 326397136 /nfs/dbraw/zinc/39/71/36/326397136.db2.gz NCPMZSZTCXVFLJ-UHFFFAOYSA-N 2 2 235.375 2.644 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1cccc(F)c1 ZINC000235524158 487976730 /nfs/dbraw/zinc/97/67/30/487976730.db2.gz MDZOGQGEDXGOKD-FZMZJTMJSA-N 2 2 236.334 2.618 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000094522057 487989325 /nfs/dbraw/zinc/98/93/25/487989325.db2.gz XYWGGQFOIAHILW-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000094522057 487989331 /nfs/dbraw/zinc/98/93/31/487989331.db2.gz XYWGGQFOIAHILW-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cccc(C2CC2)c1 ZINC000094522058 487989390 /nfs/dbraw/zinc/98/93/90/487989390.db2.gz XYWGGQFOIAHILW-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cccc(C2CC2)c1 ZINC000094522058 487989395 /nfs/dbraw/zinc/98/93/95/487989395.db2.gz XYWGGQFOIAHILW-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP CCC(CC)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000668616587 488010275 /nfs/dbraw/zinc/01/02/75/488010275.db2.gz DYAREULIUFVESU-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCC[C@H](C)C2)n1C ZINC000667499804 488030272 /nfs/dbraw/zinc/03/02/72/488030272.db2.gz VQKIELACPCDVOR-AAEUAGOBSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCC[C@H](C)C2)n1C ZINC000667499804 488030278 /nfs/dbraw/zinc/03/02/78/488030278.db2.gz VQKIELACPCDVOR-AAEUAGOBSA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@H]2CCC[C@@H](C)C2)n1C ZINC000667499807 488030952 /nfs/dbraw/zinc/03/09/52/488030952.db2.gz VQKIELACPCDVOR-YPMHNXCESA-N 2 2 235.375 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@H]2CCC[C@@H](C)C2)n1C ZINC000667499807 488030956 /nfs/dbraw/zinc/03/09/56/488030956.db2.gz VQKIELACPCDVOR-YPMHNXCESA-N 2 2 235.375 2.739 20 0 BFADLP CC(C)C[C@H]1CCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667502625 488031760 /nfs/dbraw/zinc/03/17/60/488031760.db2.gz KEEOHVLFKHXARJ-CYBMUJFWSA-N 2 2 247.386 2.840 20 0 BFADLP CC(C)C[C@H]1CCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667502625 488031763 /nfs/dbraw/zinc/03/17/63/488031763.db2.gz KEEOHVLFKHXARJ-CYBMUJFWSA-N 2 2 247.386 2.840 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667651686 488074235 /nfs/dbraw/zinc/07/42/35/488074235.db2.gz DURSKPXDDAYMHB-CHWSQXEVSA-N 2 2 247.386 2.840 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667651686 488074239 /nfs/dbraw/zinc/07/42/39/488074239.db2.gz DURSKPXDDAYMHB-CHWSQXEVSA-N 2 2 247.386 2.840 20 0 BFADLP CC[C@H]1CCCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667653757 488075474 /nfs/dbraw/zinc/07/54/74/488075474.db2.gz KTKIENLLXKNOKE-ZDUSSCGKSA-N 2 2 247.386 2.984 20 0 BFADLP CC[C@H]1CCCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667653757 488075475 /nfs/dbraw/zinc/07/54/75/488075475.db2.gz KTKIENLLXKNOKE-ZDUSSCGKSA-N 2 2 247.386 2.984 20 0 BFADLP CCc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)s1 ZINC000225140057 488076102 /nfs/dbraw/zinc/07/61/02/488076102.db2.gz WQNPSPKSAYQBBN-LLVKDONJSA-N 2 2 238.400 2.542 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000389173491 488079209 /nfs/dbraw/zinc/07/92/09/488079209.db2.gz OLDVYYLVXYLZBE-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC000389173491 488079213 /nfs/dbraw/zinc/07/92/13/488079213.db2.gz OLDVYYLVXYLZBE-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000389210020 488082059 /nfs/dbraw/zinc/08/20/59/488082059.db2.gz BNLWTSSMUGSMRV-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC000389210020 488082061 /nfs/dbraw/zinc/08/20/61/488082061.db2.gz BNLWTSSMUGSMRV-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP CC[C@H](C)C[N@H+](CC)Cc1c[nH+]c(C)n1C ZINC000667688014 488086760 /nfs/dbraw/zinc/08/67/60/488086760.db2.gz CUOKGMSUASGWNE-NSHDSACASA-N 2 2 223.364 2.597 20 0 BFADLP CC[C@H](C)C[N@@H+](CC)Cc1c[nH+]c(C)n1C ZINC000667688014 488086765 /nfs/dbraw/zinc/08/67/65/488086765.db2.gz CUOKGMSUASGWNE-NSHDSACASA-N 2 2 223.364 2.597 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000389578249 488101866 /nfs/dbraw/zinc/10/18/66/488101866.db2.gz XLYRZRIIGCNDQZ-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000389578249 488101872 /nfs/dbraw/zinc/10/18/72/488101872.db2.gz XLYRZRIIGCNDQZ-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP Clc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1 ZINC000232104229 488118331 /nfs/dbraw/zinc/11/83/31/488118331.db2.gz VVIZXAWYYHQFGQ-ZDUSSCGKSA-N 2 2 238.762 2.572 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519324 487537698 /nfs/dbraw/zinc/53/76/98/487537698.db2.gz BMADKYLFEGAKOX-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000094519324 487537704 /nfs/dbraw/zinc/53/77/04/487537704.db2.gz BMADKYLFEGAKOX-INIZCTEOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519323 487537928 /nfs/dbraw/zinc/53/79/28/487537928.db2.gz GGEUWMDMGDGXQC-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000094519323 487537933 /nfs/dbraw/zinc/53/79/33/487537933.db2.gz GGEUWMDMGDGXQC-MRXNPFEDSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000162139338 487539514 /nfs/dbraw/zinc/53/95/14/487539514.db2.gz RGVKFKCLFTXKGQ-JTQLQIEISA-N 2 2 234.368 2.599 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000162153211 487540652 /nfs/dbraw/zinc/54/06/52/487540652.db2.gz WGAUGUDKOOICST-GFCCVEGCSA-N 2 2 220.360 2.508 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC000162139456 487540818 /nfs/dbraw/zinc/54/08/18/487540818.db2.gz RGVKFKCLFTXKGQ-SNVBAGLBSA-N 2 2 234.368 2.599 20 0 BFADLP C[C@H](C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000685463085 487530521 /nfs/dbraw/zinc/53/05/21/487530521.db2.gz UXGBRMFTJVILCG-CHWSQXEVSA-N 2 2 249.402 2.892 20 0 BFADLP C[C@H](C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000685463085 487530524 /nfs/dbraw/zinc/53/05/24/487530524.db2.gz UXGBRMFTJVILCG-CHWSQXEVSA-N 2 2 249.402 2.892 20 0 BFADLP C[C@H](C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000685463086 487530299 /nfs/dbraw/zinc/53/02/99/487530299.db2.gz UXGBRMFTJVILCG-OLZOCXBDSA-N 2 2 249.402 2.892 20 0 BFADLP C[C@H](C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)C(C)(C)C ZINC000685463086 487530302 /nfs/dbraw/zinc/53/03/02/487530302.db2.gz UXGBRMFTJVILCG-OLZOCXBDSA-N 2 2 249.402 2.892 20 0 BFADLP CCC(CC)C[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657562201 488134967 /nfs/dbraw/zinc/13/49/67/488134967.db2.gz LKCMZYKGQMFZJU-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(CC)C[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657562201 488134973 /nfs/dbraw/zinc/13/49/73/488134973.db2.gz LKCMZYKGQMFZJU-CYBMUJFWSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](C[NH2+]CC1([NH+](C)C)CCC1)C(C)(C)C ZINC000304232405 487481823 /nfs/dbraw/zinc/48/18/23/487481823.db2.gz BATBGEACWZEYQO-GFCCVEGCSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1[nH+]cc(C[NH+]2CCC(C(C)C)CC2)n1C ZINC000201003284 487478757 /nfs/dbraw/zinc/47/87/57/487478757.db2.gz KEIZVZJMRTVHOL-UHFFFAOYSA-N 2 2 235.375 2.597 20 0 BFADLP C[C@@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)C(C)(C)C ZINC000304302511 487486729 /nfs/dbraw/zinc/48/67/29/487486729.db2.gz PFIOEXCXBXWBPH-RYUDHWBXSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)C(C)(C)C ZINC000304302511 487486734 /nfs/dbraw/zinc/48/67/34/487486734.db2.gz PFIOEXCXBXWBPH-RYUDHWBXSA-N 2 2 226.408 2.741 20 0 BFADLP Clc1cccc(C[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000232104465 487510549 /nfs/dbraw/zinc/51/05/49/487510549.db2.gz AQXSBVZRTLGIAO-CYBMUJFWSA-N 2 2 238.762 2.572 20 0 BFADLP Cc1cn(Cc2cn3cccc(C)c3[nH+]2)c(C)[nH+]1 ZINC000677646299 488088129 /nfs/dbraw/zinc/08/81/29/488088129.db2.gz WTGFELLHZLXIKA-UHFFFAOYSA-N 2 2 240.310 2.504 20 0 BFADLP Cc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000258930056 488142478 /nfs/dbraw/zinc/14/24/78/488142478.db2.gz PGGNLNHSMOOGGZ-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)n1C ZINC000667964702 488169492 /nfs/dbraw/zinc/16/94/92/488169492.db2.gz ODTVWIPHVXFEHA-IUODEOHRSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)n1C ZINC000667964702 488169495 /nfs/dbraw/zinc/16/94/95/488169495.db2.gz ODTVWIPHVXFEHA-IUODEOHRSA-N 2 2 247.386 2.741 20 0 BFADLP CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000518581748 488173592 /nfs/dbraw/zinc/17/35/92/488173592.db2.gz OIODMOZINLMJIF-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000518581749 488173629 /nfs/dbraw/zinc/17/36/29/488173629.db2.gz OIODMOZINLMJIF-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000678072599 488191355 /nfs/dbraw/zinc/19/13/55/488191355.db2.gz ACBNFSWWDAKROX-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000678072599 488191357 /nfs/dbraw/zinc/19/13/57/488191357.db2.gz ACBNFSWWDAKROX-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP CC1(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000683700400 488209441 /nfs/dbraw/zinc/20/94/41/488209441.db2.gz YCDJLPIZYJFVOG-CYBMUJFWSA-N 2 2 233.359 2.710 20 0 BFADLP CC1(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCC1 ZINC000683700400 488209446 /nfs/dbraw/zinc/20/94/46/488209446.db2.gz YCDJLPIZYJFVOG-CYBMUJFWSA-N 2 2 233.359 2.710 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668172411 488214146 /nfs/dbraw/zinc/21/41/46/488214146.db2.gz NDNUCJWWFQTKFY-NWDGAFQWSA-N 2 2 233.359 2.592 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000668172411 488214150 /nfs/dbraw/zinc/21/41/50/488214150.db2.gz NDNUCJWWFQTKFY-NWDGAFQWSA-N 2 2 233.359 2.592 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000398242576 488215749 /nfs/dbraw/zinc/21/57/49/488215749.db2.gz ZZJOMVRJSWVPQK-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000398242576 488215752 /nfs/dbraw/zinc/21/57/52/488215752.db2.gz ZZJOMVRJSWVPQK-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP c1csc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678234481 488222025 /nfs/dbraw/zinc/22/20/25/488222025.db2.gz GFAMTHQCWIBFKI-GFCCVEGCSA-N 2 2 247.367 2.782 20 0 BFADLP c1csc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000678234481 488222028 /nfs/dbraw/zinc/22/20/28/488222028.db2.gz GFAMTHQCWIBFKI-GFCCVEGCSA-N 2 2 247.367 2.782 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C)CC2 ZINC000678583858 488268386 /nfs/dbraw/zinc/26/83/86/488268386.db2.gz BEHJFECMADZWQB-APHBMKBZSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[N@H+](C)C[C@@H]1C)CC2 ZINC000678583858 488268387 /nfs/dbraw/zinc/26/83/87/488268387.db2.gz BEHJFECMADZWQB-APHBMKBZSA-N 2 2 244.382 2.522 20 0 BFADLP CC[N@@H+](CCCn1cc[nH+]c1)CCC(F)(F)F ZINC000678883136 488293493 /nfs/dbraw/zinc/29/34/93/488293493.db2.gz SGNBACUWGRCGPG-UHFFFAOYSA-N 2 2 249.280 2.548 20 0 BFADLP C[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1F ZINC000679224803 488321023 /nfs/dbraw/zinc/32/10/23/488321023.db2.gz PBZREFVSSJKKCX-MCIONIFRSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1F ZINC000679224803 488321026 /nfs/dbraw/zinc/32/10/26/488321026.db2.gz PBZREFVSSJKKCX-MCIONIFRSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1F ZINC000679224803 488321028 /nfs/dbraw/zinc/32/10/28/488321028.db2.gz PBZREFVSSJKKCX-MCIONIFRSA-N 2 2 242.382 2.541 20 0 BFADLP C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H]1F ZINC000679224803 488321029 /nfs/dbraw/zinc/32/10/29/488321029.db2.gz PBZREFVSSJKKCX-MCIONIFRSA-N 2 2 242.382 2.541 20 0 BFADLP CC[C@@H](C)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166345387 490090570 /nfs/dbraw/zinc/09/05/70/490090570.db2.gz MNHUPKZERHEOAW-CYBMUJFWSA-N 2 2 247.386 2.558 20 0 BFADLP C[C@H](Cc1cccs1)[NH2+]CCCn1cc[nH+]c1 ZINC000071269749 490260154 /nfs/dbraw/zinc/26/01/54/490260154.db2.gz YAMYUEVSMXXUQF-GFCCVEGCSA-N 2 2 249.383 2.556 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313286816 490285707 /nfs/dbraw/zinc/28/57/07/490285707.db2.gz VSKSSZWTXUEOSS-TZMCWYRMSA-N 2 2 249.402 2.767 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]CC(C)(C)C ZINC000126172485 490484981 /nfs/dbraw/zinc/48/49/81/490484981.db2.gz NPYXJLPKTLSRRI-UHFFFAOYSA-N 2 2 206.333 2.568 20 0 BFADLP Cc1ccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)[nH+]1 ZINC000128067745 490570043 /nfs/dbraw/zinc/57/00/43/490570043.db2.gz GVOHHRKQKXBGMP-DGCLKSJQSA-N 2 2 233.359 2.593 20 0 BFADLP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)[nH+]1 ZINC000128067745 490570046 /nfs/dbraw/zinc/57/00/46/490570046.db2.gz GVOHHRKQKXBGMP-DGCLKSJQSA-N 2 2 233.359 2.593 20 0 BFADLP CC(C)C([NH2+]CCCn1cc[nH+]c1)C(C)C ZINC000303525870 491115986 /nfs/dbraw/zinc/11/59/86/491115986.db2.gz PBPWVHFAYRDXAQ-UHFFFAOYSA-N 2 2 223.364 2.543 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000415009722 491116254 /nfs/dbraw/zinc/11/62/54/491116254.db2.gz OGOFFCZXNAZABI-HTQZYQBOSA-N 2 2 247.169 2.819 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585074 491121386 /nfs/dbraw/zinc/12/13/86/491121386.db2.gz FIBNCCXLBWCUMY-KGLIPLIRSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000070585074 491121387 /nfs/dbraw/zinc/12/13/87/491121387.db2.gz FIBNCCXLBWCUMY-KGLIPLIRSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]([NH2+]Cc1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000400355584 533935332 /nfs/dbraw/zinc/93/53/32/533935332.db2.gz OKTOKJAMVKMUAD-GWCFXTLKSA-N 2 2 238.762 2.570 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000220568702 535539930 /nfs/dbraw/zinc/53/99/30/535539930.db2.gz VRIJXUDTNFAJIH-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCCCNc2cccc[nH+]2)[C@@H]1C ZINC000495048474 533945298 /nfs/dbraw/zinc/94/52/98/533945298.db2.gz QQWGWYSMFGOMPR-MCIONIFRSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CCc2cn3ccccc3[nH+]2)[C@H]1C ZINC000494926488 533949813 /nfs/dbraw/zinc/94/98/13/533949813.db2.gz XYWSWOPRCFSBDM-DYEKYZERSA-N 2 2 243.354 2.511 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000348125478 535823877 /nfs/dbraw/zinc/82/38/77/535823877.db2.gz OWGWATCGQZLYKL-NFAWXSAZSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000348125478 535823878 /nfs/dbraw/zinc/82/38/78/535823878.db2.gz OWGWATCGQZLYKL-NFAWXSAZSA-N 2 2 236.403 2.782 20 0 BFADLP C[N@H+](Cc1ccc(Cl)s1)C1(C[NH3+])CCC1 ZINC000086475046 536469147 /nfs/dbraw/zinc/46/91/47/536469147.db2.gz OMKVDVRPXJBGHF-UHFFFAOYSA-N 2 2 244.791 2.715 20 0 BFADLP C[N@@H+](Cc1ccc(Cl)s1)C1(C[NH3+])CCC1 ZINC000086475046 536469150 /nfs/dbraw/zinc/46/91/50/536469150.db2.gz OMKVDVRPXJBGHF-UHFFFAOYSA-N 2 2 244.791 2.715 20 0 BFADLP CCC[N@H+](C[C@@H](C)CC(C)C)[C@@H]1CC[NH2+]C1 ZINC000300986011 528117423 /nfs/dbraw/zinc/11/74/23/528117423.db2.gz UXBKLNIXKQPHHA-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[N@@H+](C[C@@H](C)CC(C)C)[C@@H]1CC[NH2+]C1 ZINC000300986011 528117426 /nfs/dbraw/zinc/11/74/26/528117426.db2.gz UXBKLNIXKQPHHA-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)C1 ZINC000308612986 528133658 /nfs/dbraw/zinc/13/36/58/528133658.db2.gz HYUAVEMVPCCKPC-TZMCWYRMSA-N 2 2 238.419 2.909 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)C1 ZINC000300516677 528681536 /nfs/dbraw/zinc/68/15/36/528681536.db2.gz PWLMRPRIEVVEGX-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)C1 ZINC000300516677 528681528 /nfs/dbraw/zinc/68/15/28/528681528.db2.gz PWLMRPRIEVVEGX-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H](C[N@H+](C)CC[NH2+]C)c1ccccc1 ZINC000469865759 528939854 /nfs/dbraw/zinc/93/98/54/528939854.db2.gz ZCJWTTQTSBONID-HNNXBMFYSA-N 2 2 234.387 2.722 20 0 BFADLP CCC[C@@H](C[N@@H+](C)CC[NH2+]C)c1ccccc1 ZINC000469865759 528939855 /nfs/dbraw/zinc/93/98/55/528939855.db2.gz ZCJWTTQTSBONID-HNNXBMFYSA-N 2 2 234.387 2.722 20 0 BFADLP CCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932125 535075506 /nfs/dbraw/zinc/07/55/06/535075506.db2.gz KIUBHGMIRFDMBP-UHFFFAOYSA-N 2 2 247.386 2.830 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000248428531 535242967 /nfs/dbraw/zinc/24/29/67/535242967.db2.gz RPMDWOWTQCQQQX-ZNMIVQPWSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000248428531 535242971 /nfs/dbraw/zinc/24/29/71/535242971.db2.gz RPMDWOWTQCQQQX-ZNMIVQPWSA-N 2 2 236.403 2.663 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000335339105 535300417 /nfs/dbraw/zinc/30/04/17/535300417.db2.gz GYPAJLKJQPLMIP-CHWSQXEVSA-N 2 2 247.386 2.756 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000079978918 535300510 /nfs/dbraw/zinc/30/05/10/535300510.db2.gz VMWCYTUEWQLTRO-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000079978918 535300514 /nfs/dbraw/zinc/30/05/14/535300514.db2.gz VMWCYTUEWQLTRO-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000348070834 535824856 /nfs/dbraw/zinc/82/48/56/535824856.db2.gz IYCJHGCDQGPJMF-CHWSQXEVSA-N 2 2 233.359 2.662 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](CCCC2CCCC2)C1 ZINC000226419908 536412111 /nfs/dbraw/zinc/41/21/11/536412111.db2.gz JTDXVLMPTVHMQY-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC000226419908 536412109 /nfs/dbraw/zinc/41/21/09/536412109.db2.gz JTDXVLMPTVHMQY-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348415838 537905208 /nfs/dbraw/zinc/90/52/08/537905208.db2.gz SFEPGNVDQVEQDR-GJZGRUSLSA-N 2 2 230.355 2.711 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000251747149 538055738 /nfs/dbraw/zinc/05/57/38/538055738.db2.gz DADBFPVLMSWDFH-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000251747149 538055745 /nfs/dbraw/zinc/05/57/45/538055745.db2.gz DADBFPVLMSWDFH-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C2)c1 ZINC000853085472 588719065 /nfs/dbraw/zinc/71/90/65/588719065.db2.gz OCUIXCUWEZEHBK-OAHLLOKOSA-N 2 2 232.371 2.604 20 0 BFADLP CC(C)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C2)c1 ZINC000853085472 588719066 /nfs/dbraw/zinc/71/90/66/588719066.db2.gz OCUIXCUWEZEHBK-OAHLLOKOSA-N 2 2 232.371 2.604 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000113412983 588838936 /nfs/dbraw/zinc/83/89/36/588838936.db2.gz TWZADAYAONCGKP-LBPRGKRZSA-N 2 2 229.327 2.877 20 0 BFADLP C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@H+](C)C1 ZINC000776173792 583112090 /nfs/dbraw/zinc/11/20/90/583112090.db2.gz MNKOGCILBKYBHE-HOCLYGCPSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H](CCc1ccccc1)C[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000776173792 583112094 /nfs/dbraw/zinc/11/20/94/583112094.db2.gz MNKOGCILBKYBHE-HOCLYGCPSA-N 2 2 246.398 2.549 20 0 BFADLP Cc1coc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000893994402 583267543 /nfs/dbraw/zinc/26/75/43/583267543.db2.gz LEKVDOSWYWQUJG-CYBMUJFWSA-N 2 2 245.326 2.622 20 0 BFADLP Cc1coc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000893994402 583267544 /nfs/dbraw/zinc/26/75/44/583267544.db2.gz LEKVDOSWYWQUJG-CYBMUJFWSA-N 2 2 245.326 2.622 20 0 BFADLP CC(C)(CC[NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000894204422 583340858 /nfs/dbraw/zinc/34/08/58/583340858.db2.gz NUIIWPVCQBGCAL-UHFFFAOYSA-N 2 2 243.354 2.867 20 0 BFADLP CC(C)(C[NH2+]Cc1c[nH+]c[nH]1)Cc1ccccc1 ZINC000894262521 583399906 /nfs/dbraw/zinc/39/99/06/583399906.db2.gz RKZMJHZSSREPES-UHFFFAOYSA-N 2 2 243.354 2.768 20 0 BFADLP CC1(C)C[C@H]([NH2+]Cc2c[nH+]c[nH]2)c2ccccc21 ZINC000894346275 583430859 /nfs/dbraw/zinc/43/08/59/583430859.db2.gz ORWWKBVZAOMFFE-AWEZNQCLSA-N 2 2 241.338 2.922 20 0 BFADLP C[C@@H]1c2sccc2CC[N@H+]1CCn1cc[nH+]c1 ZINC000880376898 583530653 /nfs/dbraw/zinc/53/06/53/583530653.db2.gz LEPQHYCKVMBDRY-LLVKDONJSA-N 2 2 247.367 2.564 20 0 BFADLP C[C@@H]1c2sccc2CC[N@@H+]1CCn1cc[nH+]c1 ZINC000880376898 583530655 /nfs/dbraw/zinc/53/06/55/583530655.db2.gz LEPQHYCKVMBDRY-LLVKDONJSA-N 2 2 247.367 2.564 20 0 BFADLP CCC1([NH+]2CCC2)CC[NH+](Cc2ccco2)CC1 ZINC000895828716 583735168 /nfs/dbraw/zinc/73/51/68/583735168.db2.gz XYSZERPUANHURM-UHFFFAOYSA-N 2 2 248.370 2.730 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000019959713 583928530 /nfs/dbraw/zinc/92/85/30/583928530.db2.gz BRLULZSYBWGACR-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000019959713 583928531 /nfs/dbraw/zinc/92/85/31/583928531.db2.gz BRLULZSYBWGACR-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000251358329 583981358 /nfs/dbraw/zinc/98/13/58/583981358.db2.gz UUBLXZAOOGYURH-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000251358329 583981360 /nfs/dbraw/zinc/98/13/60/583981360.db2.gz UUBLXZAOOGYURH-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP c1cn2c(cccc2C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)[nH+]1 ZINC000897955784 584065320 /nfs/dbraw/zinc/06/53/20/584065320.db2.gz YLTBZRPARNAFNI-KWCYVHTRSA-N 2 2 241.338 2.613 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC=CCCC2)n1C ZINC000898032657 584078591 /nfs/dbraw/zinc/07/85/91/584078591.db2.gz VZSRYTCHFGPSCE-CQSZACIVSA-N 2 2 247.386 2.955 20 0 BFADLP Cc1coc(C[N@@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC000898306849 584109444 /nfs/dbraw/zinc/10/94/44/584109444.db2.gz OYAGLKSUBTVDIR-UHFFFAOYSA-N 2 2 238.375 2.608 20 0 BFADLP Cc1coc(C[N@H+](C)CC(C)(C)C[NH+](C)C)c1 ZINC000898306849 584109446 /nfs/dbraw/zinc/10/94/46/584109446.db2.gz OYAGLKSUBTVDIR-UHFFFAOYSA-N 2 2 238.375 2.608 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C/C=C/Cl ZINC000898431934 584135379 /nfs/dbraw/zinc/13/53/79/584135379.db2.gz DFELOQMGVSACLZ-ZZXKWVIFSA-N 2 2 224.735 2.665 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1csc(Cl)c1 ZINC000902408555 584575341 /nfs/dbraw/zinc/57/53/41/584575341.db2.gz ZAPJRAFYLFRVPC-SSDOTTSWSA-N 2 2 230.764 2.543 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1ccc(F)c(Cl)c1 ZINC000902415495 584589809 /nfs/dbraw/zinc/58/98/09/584589809.db2.gz GKIAQGLYOTZHDE-QMMMGPOBSA-N 2 2 242.725 2.621 20 0 BFADLP CC[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])[C@H]1C[C@H]1C ZINC000902429887 584594841 /nfs/dbraw/zinc/59/48/41/584594841.db2.gz BATIUXBNTCQBBC-NVAJDRRBSA-N 2 2 244.382 2.635 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902440214 584597201 /nfs/dbraw/zinc/59/72/01/584597201.db2.gz WUQOOBFGECWZOK-BPLDGKMQSA-N 2 2 244.382 2.779 20 0 BFADLP [NH3+][C@@H]1c2ccccc2C[C@H]1[NH2+]C1CCCCCC1 ZINC000902441632 584597996 /nfs/dbraw/zinc/59/79/96/584597996.db2.gz FJSVBKVKJOHGSU-HZPDHXFCSA-N 2 2 244.382 2.924 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902444416 584598950 /nfs/dbraw/zinc/59/89/50/584598950.db2.gz NKFGYOMOQPQQMR-DDUYRFODSA-N 2 2 244.382 2.779 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)CC2 ZINC000902446054 584600577 /nfs/dbraw/zinc/60/05/77/584600577.db2.gz OEELFHBLXKVQGX-CABCVRRESA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CC1)c1cc2ccccc2o1 ZINC000902414963 584600707 /nfs/dbraw/zinc/60/07/07/584600707.db2.gz IKEWNQYZKQICHB-JTQLQIEISA-N 2 2 230.311 2.575 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472736 584601119 /nfs/dbraw/zinc/60/11/19/584601119.db2.gz GVKYHLZGAIJXTI-MYZSUADSSA-N 2 2 230.355 2.539 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)s1 ZINC000902472544 584601139 /nfs/dbraw/zinc/60/11/39/584601139.db2.gz CSSXQGUILDVBNC-WHOHXGKFSA-N 2 2 236.384 2.600 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000902472692 584601503 /nfs/dbraw/zinc/60/15/03/584601503.db2.gz FMDIRHLGAMPKHS-WISYIIOYSA-N 2 2 236.384 2.600 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)c1 ZINC000902447341 584604756 /nfs/dbraw/zinc/60/47/56/584604756.db2.gz SYHQPNKKIIJWAA-JSGCOSHPSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cs1 ZINC000902464014 584612490 /nfs/dbraw/zinc/61/24/90/584612490.db2.gz CFJCLBXVTTXMKR-FTYKPCCVSA-N 2 2 236.384 2.600 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)s1 ZINC000902465236 584613095 /nfs/dbraw/zinc/61/30/95/584613095.db2.gz CSSXQGUILDVBNC-WRWGMCAJSA-N 2 2 236.384 2.600 20 0 BFADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465322 584613183 /nfs/dbraw/zinc/61/31/83/584613183.db2.gz FMDIRHLGAMPKHS-WRWGMCAJSA-N 2 2 236.384 2.600 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c2ccccc21 ZINC000902464339 584613254 /nfs/dbraw/zinc/61/32/54/584613254.db2.gz BXCODZNVKFOXSP-AISHXMHISA-N 2 2 242.366 2.717 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)s1 ZINC000902465235 584613298 /nfs/dbraw/zinc/61/32/98/584613298.db2.gz CSSXQGUILDVBNC-NNYUYHANSA-N 2 2 236.384 2.600 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000902465320 584613566 /nfs/dbraw/zinc/61/35/66/584613566.db2.gz FMDIRHLGAMPKHS-NNYUYHANSA-N 2 2 236.384 2.600 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902467248 584614527 /nfs/dbraw/zinc/61/45/27/584614527.db2.gz OCXRAQRCMOLDDN-ARLBYUKCSA-N 2 2 244.382 2.847 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000902468397 584615491 /nfs/dbraw/zinc/61/54/91/584615491.db2.gz SRFPXZIEZQLLAP-WMHQRMGPSA-N 2 2 244.382 2.847 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1C ZINC000902468363 584615497 /nfs/dbraw/zinc/61/54/97/584615497.db2.gz SJZGXUKVLKDFKP-SLBVQIDZSA-N 2 2 244.382 2.847 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccsc1 ZINC000902468865 584615688 /nfs/dbraw/zinc/61/56/88/584615688.db2.gz XDROXECNPHMTEI-FVCCEPFGSA-N 2 2 236.384 2.682 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1 ZINC000902471319 584616309 /nfs/dbraw/zinc/61/63/09/584616309.db2.gz MWAGXKDVXVKPIQ-ZJIFWQFVSA-N 2 2 244.382 2.866 20 0 BFADLP Cc1cncc([C@@H](C)[NH2+]C[C@@H]2CCCCC[NH2+]2)c1 ZINC000902483046 584623737 /nfs/dbraw/zinc/62/37/37/584623737.db2.gz OSCUETUIWHPNIS-HIFRSBDPSA-N 2 2 247.386 2.573 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902725140 584660982 /nfs/dbraw/zinc/66/09/82/584660982.db2.gz QMFMFQXPSIMUDH-UMVBOHGHSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902725140 584660983 /nfs/dbraw/zinc/66/09/83/584660983.db2.gz QMFMFQXPSIMUDH-UMVBOHGHSA-N 2 2 236.403 2.639 20 0 BFADLP C[NH+](C)C1(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CCC1 ZINC000902966485 584702595 /nfs/dbraw/zinc/70/25/95/584702595.db2.gz FNGOAKXNJQCWAV-CHWSQXEVSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCc2cn(C)c[nH+]2)[C@H]1C ZINC000903184069 584733653 /nfs/dbraw/zinc/73/36/53/584733653.db2.gz SWZPGPLAEXTERY-UKTARXLSSA-N 2 2 249.402 2.623 20 0 BFADLP C[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C1CCCC1 ZINC000903201980 584735194 /nfs/dbraw/zinc/73/51/94/584735194.db2.gz SRXLPCNCLVDMDD-LBPRGKRZSA-N 2 2 247.386 2.816 20 0 BFADLP CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903201759 584735261 /nfs/dbraw/zinc/73/52/61/584735261.db2.gz MONQYWAVMZLODZ-SWLSCSKDSA-N 2 2 247.386 2.816 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903202165 584735276 /nfs/dbraw/zinc/73/52/76/584735276.db2.gz YLPASPJDMXWRDS-GFCCVEGCSA-N 2 2 247.386 2.816 20 0 BFADLP C[C@@H](CC1CCC1)[NH2+]Cc1cc(N(C)C)cc[nH+]1 ZINC000903202166 584735545 /nfs/dbraw/zinc/73/55/45/584735545.db2.gz YLPASPJDMXWRDS-LBPRGKRZSA-N 2 2 247.386 2.816 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H](C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000903300484 584743620 /nfs/dbraw/zinc/74/36/20/584743620.db2.gz ISDFWVPOLGUWKC-DFBGVHRSSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@H](C2CC2)C2CCCC2)CC[N@H+]1C ZINC000903300484 584743622 /nfs/dbraw/zinc/74/36/22/584743622.db2.gz ISDFWVPOLGUWKC-DFBGVHRSSA-N 2 2 236.403 2.637 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]1C)c1cccnc1 ZINC000903301651 584744567 /nfs/dbraw/zinc/74/45/67/584744567.db2.gz TZKCZHAVYYVKOU-YUELXQCFSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C)c1cccnc1 ZINC000903301651 584744568 /nfs/dbraw/zinc/74/45/68/584744568.db2.gz TZKCZHAVYYVKOU-YUELXQCFSA-N 2 2 247.386 2.605 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903300992 584744880 /nfs/dbraw/zinc/74/48/80/584744880.db2.gz MQUBWMLNPFJZCG-SQWLQELKSA-N 2 2 246.398 2.608 20 0 BFADLP Cc1ccccc1C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903300992 584744882 /nfs/dbraw/zinc/74/48/82/584744882.db2.gz MQUBWMLNPFJZCG-SQWLQELKSA-N 2 2 246.398 2.608 20 0 BFADLP c1csc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903425917 584761071 /nfs/dbraw/zinc/76/10/71/584761071.db2.gz AIEURMWDTNNAMB-VXGBXAGGSA-N 2 2 236.384 2.637 20 0 BFADLP c1csc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903425917 584761072 /nfs/dbraw/zinc/76/10/72/584761072.db2.gz AIEURMWDTNNAMB-VXGBXAGGSA-N 2 2 236.384 2.637 20 0 BFADLP Fc1cccc([C@H]2CCC[N@@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903431882 584762055 /nfs/dbraw/zinc/76/20/55/584762055.db2.gz ZUMKOZHUVUBWKV-HUUCEWRRSA-N 2 2 248.345 2.715 20 0 BFADLP Fc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC000903431882 584762056 /nfs/dbraw/zinc/76/20/56/584762056.db2.gz ZUMKOZHUVUBWKV-HUUCEWRRSA-N 2 2 248.345 2.715 20 0 BFADLP CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440123 584763077 /nfs/dbraw/zinc/76/30/77/584763077.db2.gz UALYWBBHCIFYID-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440123 584763078 /nfs/dbraw/zinc/76/30/78/584763078.db2.gz UALYWBBHCIFYID-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440120 584763206 /nfs/dbraw/zinc/76/32/06/584763206.db2.gz UALYWBBHCIFYID-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440120 584763207 /nfs/dbraw/zinc/76/32/07/584763207.db2.gz UALYWBBHCIFYID-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]1[C@@H](C)CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440442 584763235 /nfs/dbraw/zinc/76/32/35/584763235.db2.gz XYAUXQFQZWARSK-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]1[C@@H](C)CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440442 584763236 /nfs/dbraw/zinc/76/32/36/584763236.db2.gz XYAUXQFQZWARSK-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903461042 584766359 /nfs/dbraw/zinc/76/63/59/584766359.db2.gz NQHKLLZRPZXPGS-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903461042 584766361 /nfs/dbraw/zinc/76/63/61/584766361.db2.gz NQHKLLZRPZXPGS-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP [NH3+]C[C@]12CC[C@H]1CCC[N@@H+]2Cc1ccc(F)cc1 ZINC000903795864 584800870 /nfs/dbraw/zinc/80/08/70/584800870.db2.gz QENHIHGFHOFSMB-UKRRQHHQSA-N 2 2 248.345 2.529 20 0 BFADLP [NH3+]C[C@]12CC[C@H]1CCC[N@H+]2Cc1ccc(F)cc1 ZINC000903795864 584800871 /nfs/dbraw/zinc/80/08/71/584800871.db2.gz QENHIHGFHOFSMB-UKRRQHHQSA-N 2 2 248.345 2.529 20 0 BFADLP CC1(C)C[NH2+]C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000903821685 584804154 /nfs/dbraw/zinc/80/41/54/584804154.db2.gz PMJUYFTUUSKAQR-OAHLLOKOSA-N 2 2 244.382 2.652 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903949652 584830195 /nfs/dbraw/zinc/83/01/95/584830195.db2.gz CTXFSDSIHSEXGP-LBPRGKRZSA-N 2 2 235.375 2.968 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950234 584830620 /nfs/dbraw/zinc/83/06/20/584830620.db2.gz KOCPYDMKXWDSCU-DGCLKSJQSA-N 2 2 233.359 2.722 20 0 BFADLP CC[C@@H]1CCC[C@H](C[NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903950982 584830720 /nfs/dbraw/zinc/83/07/20/584830720.db2.gz UWJPNTAODNXWBD-OLZOCXBDSA-N 2 2 247.386 2.970 20 0 BFADLP Nc1cc[nH+]c(C[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000903950986 584830810 /nfs/dbraw/zinc/83/08/10/584830810.db2.gz VAXNZPXHMVOJEM-GXTWGEPZSA-N 2 2 245.370 2.722 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)[C@@H](C)C1 ZINC000903949890 584831035 /nfs/dbraw/zinc/83/10/35/584831035.db2.gz GVYODWAOWDARCL-UHIISALHSA-N 2 2 233.359 2.578 20 0 BFADLP CCCC[C@H](CC)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950868 584831127 /nfs/dbraw/zinc/83/11/27/584831127.db2.gz SKRVPEYMCZSUAR-LBPRGKRZSA-N 2 2 221.348 2.722 20 0 BFADLP CC(C)C1CCC([NH2+]Cc2cc(N)cc[nH+]2)CC1 ZINC000903950088 584831148 /nfs/dbraw/zinc/83/11/48/584831148.db2.gz IEVUWGZSGISBET-UHFFFAOYSA-N 2 2 247.386 2.968 20 0 BFADLP C[C@H]1CCC[C@H](C[NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903953693 584831179 /nfs/dbraw/zinc/83/11/79/584831179.db2.gz JBWFKUZPQWFEMS-RYUDHWBXSA-N 2 2 233.359 2.580 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cc(N)cc[nH+]2)C[C@H]1C ZINC000903954101 584831876 /nfs/dbraw/zinc/83/18/76/584831876.db2.gz QCEQUOXSKQVKCO-NQBHXWOUSA-N 2 2 233.359 2.578 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)c1ccccc1 ZINC000746049657 585162687 /nfs/dbraw/zinc/16/26/87/585162687.db2.gz UPAFVSUJENDJFF-KGLIPLIRSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)c1ccccc1 ZINC000746049657 585162688 /nfs/dbraw/zinc/16/26/88/585162688.db2.gz UPAFVSUJENDJFF-KGLIPLIRSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCC2(CC2)CC1 ZINC000752926315 585251403 /nfs/dbraw/zinc/25/14/03/585251403.db2.gz NXCXNHDBVVRCDF-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCC2(CC2)CC1 ZINC000752926315 585251404 /nfs/dbraw/zinc/25/14/04/585251404.db2.gz NXCXNHDBVVRCDF-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP CCCCCC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000757642500 585343566 /nfs/dbraw/zinc/34/35/66/585343566.db2.gz MGHCPBRECMEPDQ-ZDUSSCGKSA-N 2 2 235.375 2.790 20 0 BFADLP CCCCCC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000757642500 585343567 /nfs/dbraw/zinc/34/35/67/585343567.db2.gz MGHCPBRECMEPDQ-ZDUSSCGKSA-N 2 2 235.375 2.790 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C1)CC1CCCCC1 ZINC000757845872 585345904 /nfs/dbraw/zinc/34/59/04/585345904.db2.gz CBEHGVZFIHGQPX-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C1)CC1CCCCC1 ZINC000757845872 585345905 /nfs/dbraw/zinc/34/59/05/585345905.db2.gz CBEHGVZFIHGQPX-DZGCQCFKSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCF)C1 ZINC000759341748 585369167 /nfs/dbraw/zinc/36/91/67/585369167.db2.gz KVOIJSBQJVULSX-KGLIPLIRSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCF)C1 ZINC000759341748 585369168 /nfs/dbraw/zinc/36/91/68/585369168.db2.gz KVOIJSBQJVULSX-KGLIPLIRSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCF)C1 ZINC000759341748 585369169 /nfs/dbraw/zinc/36/91/69/585369169.db2.gz KVOIJSBQJVULSX-KGLIPLIRSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCF)C1 ZINC000759341748 585369170 /nfs/dbraw/zinc/36/91/70/585369170.db2.gz KVOIJSBQJVULSX-KGLIPLIRSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCF)C1 ZINC000759341752 585369368 /nfs/dbraw/zinc/36/93/68/585369368.db2.gz KVOIJSBQJVULSX-UONOGXRCSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCF)C1 ZINC000759341752 585369369 /nfs/dbraw/zinc/36/93/69/585369369.db2.gz KVOIJSBQJVULSX-UONOGXRCSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCF)C1 ZINC000759341752 585369370 /nfs/dbraw/zinc/36/93/70/585369370.db2.gz KVOIJSBQJVULSX-UONOGXRCSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCF)C1 ZINC000759341752 585369371 /nfs/dbraw/zinc/36/93/71/585369371.db2.gz KVOIJSBQJVULSX-UONOGXRCSA-N 2 2 242.382 2.542 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000765278181 585483485 /nfs/dbraw/zinc/48/34/85/585483485.db2.gz BSUPGQYXZSFYMM-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000765278181 585483486 /nfs/dbraw/zinc/48/34/86/585483486.db2.gz BSUPGQYXZSFYMM-HOCLYGCPSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)cc1 ZINC000765769431 585492461 /nfs/dbraw/zinc/49/24/61/585492461.db2.gz UWDGDCVEOWUNGY-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccc(CC[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)cc1 ZINC000765769431 585492462 /nfs/dbraw/zinc/49/24/62/585492462.db2.gz UWDGDCVEOWUNGY-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000765772918 585492499 /nfs/dbraw/zinc/49/24/99/585492499.db2.gz XTBXOZAKRJVRHO-CVEARBPZSA-N 2 2 246.398 2.610 20 0 BFADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000765772918 585492500 /nfs/dbraw/zinc/49/25/00/585492500.db2.gz XTBXOZAKRJVRHO-CVEARBPZSA-N 2 2 246.398 2.610 20 0 BFADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[N@H+](C)C1 ZINC000765772920 585492549 /nfs/dbraw/zinc/49/25/49/585492549.db2.gz XTBXOZAKRJVRHO-HOTGVXAUSA-N 2 2 246.398 2.610 20 0 BFADLP CC[C@@H](Cc1ccc(C)cc1)[NH2+][C@H]1CC[N@@H+](C)C1 ZINC000765772920 585492550 /nfs/dbraw/zinc/49/25/50/585492550.db2.gz XTBXOZAKRJVRHO-HOTGVXAUSA-N 2 2 246.398 2.610 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000766266788 585499406 /nfs/dbraw/zinc/49/94/06/585499406.db2.gz BNMPZSVFQJJHKN-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000766266788 585499407 /nfs/dbraw/zinc/49/94/07/585499407.db2.gz BNMPZSVFQJJHKN-LJISPDSOSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)c(C)o1 ZINC000767363630 585517962 /nfs/dbraw/zinc/51/79/62/585517962.db2.gz SLZQRIVSFMFXNY-UHFFFAOYSA-N 2 2 238.375 2.716 20 0 BFADLP Cc1cc(C[NH2+]CCC[N@H+](C)C(C)C)c(C)o1 ZINC000767363630 585517963 /nfs/dbraw/zinc/51/79/63/585517963.db2.gz SLZQRIVSFMFXNY-UHFFFAOYSA-N 2 2 238.375 2.716 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+]CC[NH+]2CCCC2)c1 ZINC000775443175 585677884 /nfs/dbraw/zinc/67/78/84/585677884.db2.gz PBIGMDXFRMJWAB-UHFFFAOYSA-N 2 2 246.398 2.916 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000777130135 585709056 /nfs/dbraw/zinc/70/90/56/585709056.db2.gz PIMHZRMDPJIHTM-OKWIKPQFSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000777130135 585709057 /nfs/dbraw/zinc/70/90/57/585709057.db2.gz PIMHZRMDPJIHTM-OKWIKPQFSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000783225699 585831386 /nfs/dbraw/zinc/83/13/86/585831386.db2.gz WUJGBBMCOKIUIA-TZMCWYRMSA-N 2 2 241.338 2.760 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000788986923 585932832 /nfs/dbraw/zinc/93/28/32/585932832.db2.gz IAQVDHCRGFMYEF-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000788986923 585932833 /nfs/dbraw/zinc/93/28/33/585932833.db2.gz IAQVDHCRGFMYEF-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000806169124 586407133 /nfs/dbraw/zinc/40/71/33/586407133.db2.gz BBVQNIIODRMUOG-GBJTYRQASA-N 2 2 238.419 2.885 20 0 BFADLP CC1=CC[C@H]([NH2+]C[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000816537194 586739575 /nfs/dbraw/zinc/73/95/75/586739575.db2.gz WONPNWUQTCYCNW-CABCVRRESA-N 2 2 236.403 2.949 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000817909113 586837125 /nfs/dbraw/zinc/83/71/25/586837125.db2.gz XXQBFHDUYXVEAV-ZBFHGGJFSA-N 2 2 246.398 2.924 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000817907269 586837504 /nfs/dbraw/zinc/83/75/04/586837504.db2.gz ALRDTMKEZVUYGV-HIFRSBDPSA-N 2 2 232.371 2.534 20 0 BFADLP c1coc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)c1 ZINC000820805694 587073277 /nfs/dbraw/zinc/07/32/77/587073277.db2.gz PPFQVMVPSXCCPP-QXMXGUDHSA-N 2 2 246.354 2.527 20 0 BFADLP c1coc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000820805694 587073280 /nfs/dbraw/zinc/07/32/80/587073280.db2.gz PPFQVMVPSXCCPP-QXMXGUDHSA-N 2 2 246.354 2.527 20 0 BFADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000823813222 587241116 /nfs/dbraw/zinc/24/11/16/587241116.db2.gz XFTAKAHOSFFDAA-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000823813222 587241117 /nfs/dbraw/zinc/24/11/17/587241117.db2.gz XFTAKAHOSFFDAA-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000824097622 587255330 /nfs/dbraw/zinc/25/53/30/587255330.db2.gz AMBRFBKVTFQVCV-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000824097622 587255331 /nfs/dbraw/zinc/25/53/31/587255331.db2.gz AMBRFBKVTFQVCV-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCC[C@H]1C)C1CCC1 ZINC000824098749 587255833 /nfs/dbraw/zinc/25/58/33/587255833.db2.gz NLOURHIECHFSGD-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCC[C@H]1C)C1CCC1 ZINC000824098749 587255834 /nfs/dbraw/zinc/25/58/34/587255834.db2.gz NLOURHIECHFSGD-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1)[NH+](C)C ZINC000824988300 587297308 /nfs/dbraw/zinc/29/73/08/587297308.db2.gz JCMJTGFLOVZTOV-ZQDZILKHSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cccc2c1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C2 ZINC000841007411 587935073 /nfs/dbraw/zinc/93/50/73/587935073.db2.gz WOPQKMQNAWQHDG-HNNXBMFYSA-N 2 2 246.398 2.727 20 0 BFADLP Cc1cccc2c1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C2 ZINC000841007411 587935074 /nfs/dbraw/zinc/93/50/74/587935074.db2.gz WOPQKMQNAWQHDG-HNNXBMFYSA-N 2 2 246.398 2.727 20 0 BFADLP CCC(CC)C[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000841054553 587940091 /nfs/dbraw/zinc/94/00/91/587940091.db2.gz MXACQWBKBIRYHG-UHFFFAOYSA-N 2 2 236.359 2.872 20 0 BFADLP CC(C)c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000848532097 588394122 /nfs/dbraw/zinc/39/41/22/588394122.db2.gz YPIOWGOHLPDQDR-OAHLLOKOSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccccc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000848532097 588394123 /nfs/dbraw/zinc/39/41/23/588394123.db2.gz YPIOWGOHLPDQDR-OAHLLOKOSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccccc1C[NH2+]CC1([NH+](C)C)CC1 ZINC000848555486 588396416 /nfs/dbraw/zinc/39/64/16/588396416.db2.gz BJWJUROPNCZKJG-UHFFFAOYSA-N 2 2 246.398 2.994 20 0 BFADLP CCCCCC[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000848600908 588401253 /nfs/dbraw/zinc/40/12/53/588401253.db2.gz MJFBVNINXDECMY-UHFFFAOYSA-N 2 2 224.392 2.770 20 0 BFADLP CCCCCC[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000848600908 588401256 /nfs/dbraw/zinc/40/12/56/588401256.db2.gz MJFBVNINXDECMY-UHFFFAOYSA-N 2 2 224.392 2.770 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000850483551 588551337 /nfs/dbraw/zinc/55/13/37/588551337.db2.gz ZXYBRFIAIKCWAQ-HZSPNIEDSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000850483551 588551339 /nfs/dbraw/zinc/55/13/39/588551339.db2.gz ZXYBRFIAIKCWAQ-HZSPNIEDSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000850483554 588551472 /nfs/dbraw/zinc/55/14/72/588551472.db2.gz ZXYBRFIAIKCWAQ-RDBSUJKOSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000850483554 588551473 /nfs/dbraw/zinc/55/14/73/588551473.db2.gz ZXYBRFIAIKCWAQ-RDBSUJKOSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)=CCC[NH2+]c1ccc(OCC[NH3+])cc1 ZINC000852746046 588699062 /nfs/dbraw/zinc/69/90/62/588699062.db2.gz CTKAEHXCIOTHEY-UHFFFAOYSA-N 2 2 234.343 2.792 20 0 BFADLP C(C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)[NH+]1CCCC1 ZINC000852786489 588702652 /nfs/dbraw/zinc/70/26/52/588702652.db2.gz CHGWEPAIMQNPFW-GJZGRUSLSA-N 2 2 236.403 2.737 20 0 BFADLP C(C[N@H+]1CCC[C@@H]2CCCC[C@@H]21)[NH+]1CCCC1 ZINC000852786489 588702653 /nfs/dbraw/zinc/70/26/53/588702653.db2.gz CHGWEPAIMQNPFW-GJZGRUSLSA-N 2 2 236.403 2.737 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000863567112 589299646 /nfs/dbraw/zinc/29/96/46/589299646.db2.gz BZFLLDNDNWMPLF-TVQRCGJNSA-N 2 2 238.762 2.606 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCc2c1cccc2Cl ZINC000863567112 589299647 /nfs/dbraw/zinc/29/96/47/589299647.db2.gz BZFLLDNDNWMPLF-TVQRCGJNSA-N 2 2 238.762 2.606 20 0 BFADLP CCc1nc(C(C)C)ccc1C[N@H+](C)C[C@@H](C)[NH3+] ZINC000863569082 589300289 /nfs/dbraw/zinc/30/02/89/589300289.db2.gz RHJUWOFBIOFYEM-GFCCVEGCSA-N 2 2 249.402 2.546 20 0 BFADLP CCc1nc(C(C)C)ccc1C[N@@H+](C)C[C@@H](C)[NH3+] ZINC000863569082 589300290 /nfs/dbraw/zinc/30/02/90/589300290.db2.gz RHJUWOFBIOFYEM-GFCCVEGCSA-N 2 2 249.402 2.546 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](C)Cc1cc2ccccc2s1 ZINC000863651446 589306949 /nfs/dbraw/zinc/30/69/49/589306949.db2.gz IVQSQOMPODQKAZ-SNVBAGLBSA-N 2 2 234.368 2.680 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](C)Cc1cc2ccccc2s1 ZINC000863651446 589306951 /nfs/dbraw/zinc/30/69/51/589306951.db2.gz IVQSQOMPODQKAZ-SNVBAGLBSA-N 2 2 234.368 2.680 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cs2)C[NH2+]1 ZINC000863650095 589306981 /nfs/dbraw/zinc/30/69/81/589306981.db2.gz NWIJNLBFUJYDNS-SCZZXKLOSA-N 2 2 244.791 2.632 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cs2)C[NH2+]1 ZINC000863650096 589307084 /nfs/dbraw/zinc/30/70/84/589307084.db2.gz NWIJNLBFUJYDNS-WCBMZHEXSA-N 2 2 244.791 2.632 20 0 BFADLP CCc1[nH+]c(C)cn1Cc1ccc(C)[nH+]c1C ZINC000865392827 589430976 /nfs/dbraw/zinc/43/09/76/589430976.db2.gz BDLPNBGIHZZDBM-UHFFFAOYSA-N 2 2 229.327 2.814 20 0 BFADLP CCc1ccc[nH+]c1NCc1cn(C2CC2)c[nH+]1 ZINC000865507698 589442158 /nfs/dbraw/zinc/44/21/58/589442158.db2.gz FTLCBFQRRHGCPR-UHFFFAOYSA-N 2 2 242.326 2.788 20 0 BFADLP Cc1cccc(C[C@@H](C)[NH2+]CC2([NH+](C)C)CC2)c1 ZINC000866375424 589488675 /nfs/dbraw/zinc/48/86/75/589488675.db2.gz CFECVOOTQTWUOF-CQSZACIVSA-N 2 2 246.398 2.610 20 0 BFADLP Fc1cccc(/C=C\C[NH2+]CC[NH+]2CCCC2)c1 ZINC000885900264 589499166 /nfs/dbraw/zinc/49/91/66/589499166.db2.gz XZPRTEXKDHYCLQ-XQRVVYSFSA-N 2 2 248.345 2.524 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866721703 589515002 /nfs/dbraw/zinc/51/50/02/589515002.db2.gz OZMLSNWCUTUZIK-JKSUJKDBSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866721703 589515003 /nfs/dbraw/zinc/51/50/03/589515003.db2.gz OZMLSNWCUTUZIK-JKSUJKDBSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C[NH2+]CCc2cc[nH+]cc2C)c(C)o1 ZINC000123492314 589732007 /nfs/dbraw/zinc/73/20/07/589732007.db2.gz PFVPEHBZHXKLNW-UHFFFAOYSA-N 2 2 244.338 2.932 20 0 BFADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)C(C)(C)CC ZINC000872019011 589856941 /nfs/dbraw/zinc/85/69/41/589856941.db2.gz RTPIWGPHAMGTMF-GFCCVEGCSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1cccnc1 ZINC000873234014 590003563 /nfs/dbraw/zinc/00/35/63/590003563.db2.gz BFJIPTPCAMZEKM-OCCSQVGLSA-N 2 2 247.386 2.510 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000019959634 590055748 /nfs/dbraw/zinc/05/57/48/590055748.db2.gz UDFURHLPJXNIHX-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCCCCC1 ZINC000019959634 590055750 /nfs/dbraw/zinc/05/57/50/590055750.db2.gz UDFURHLPJXNIHX-CQSZACIVSA-N 2 2 224.392 2.783 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC(C)C ZINC000019960758 590058880 /nfs/dbraw/zinc/05/88/80/590058880.db2.gz QGCQODHMIHPHPZ-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)CCC(C)C ZINC000019960758 590058883 /nfs/dbraw/zinc/05/88/83/590058883.db2.gz QGCQODHMIHPHPZ-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+]C1CCCCCCC1 ZINC000020126749 590076816 /nfs/dbraw/zinc/07/68/16/590076816.db2.gz VEEYILYZLVLAOT-UHFFFAOYSA-N 2 2 224.392 2.785 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000020201826 590084860 /nfs/dbraw/zinc/08/48/60/590084860.db2.gz RCHOQAMTTHAUHZ-CHWSQXEVSA-N 2 2 214.397 2.598 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H](C)C(C)C)[NH+](C)C ZINC000020201499 590085317 /nfs/dbraw/zinc/08/53/17/590085317.db2.gz DEWBFLKYHHVTTL-OLZOCXBDSA-N 2 2 214.397 2.597 20 0 BFADLP CC1(C[NH2+][C@@H]2CC[N@H+](CC3CC3)C2)CCCC1 ZINC000877024540 590270365 /nfs/dbraw/zinc/27/03/65/590270365.db2.gz HDYOMFLMIKRQBE-CQSZACIVSA-N 2 2 236.403 2.641 20 0 BFADLP CC1(C[NH2+][C@@H]2CC[N@@H+](CC3CC3)C2)CCCC1 ZINC000877024540 590270367 /nfs/dbraw/zinc/27/03/67/590270367.db2.gz HDYOMFLMIKRQBE-CQSZACIVSA-N 2 2 236.403 2.641 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2(C)CCCC2)C1 ZINC000877529043 590348592 /nfs/dbraw/zinc/34/85/92/590348592.db2.gz RCLVMSUSARPXMG-CYBMUJFWSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2(C)CCCC2)C1 ZINC000877529043 590348596 /nfs/dbraw/zinc/34/85/96/590348596.db2.gz RCLVMSUSARPXMG-CYBMUJFWSA-N 2 2 247.386 2.790 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)F ZINC000877663058 590388014 /nfs/dbraw/zinc/38/80/14/590388014.db2.gz DYPNEEQHTIFSLY-UHFFFAOYSA-N 2 2 224.323 2.660 20 0 BFADLP C=C/C=C\CC[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000878282069 590533062 /nfs/dbraw/zinc/53/30/62/590533062.db2.gz QOZPYDTYTAJUNR-ZYOQUQOHSA-N 2 2 245.370 2.898 20 0 BFADLP C=C/C=C\CC[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000878282069 590533063 /nfs/dbraw/zinc/53/30/63/590533063.db2.gz QOZPYDTYTAJUNR-ZYOQUQOHSA-N 2 2 245.370 2.898 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000880131004 590931059 /nfs/dbraw/zinc/93/10/59/590931059.db2.gz JADQTCPERRGUNX-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000880131004 590931063 /nfs/dbraw/zinc/93/10/63/590931063.db2.gz JADQTCPERRGUNX-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880131004 590931067 /nfs/dbraw/zinc/93/10/67/590931067.db2.gz JADQTCPERRGUNX-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880131004 590931071 /nfs/dbraw/zinc/93/10/71/590931071.db2.gz JADQTCPERRGUNX-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880130275 590932121 /nfs/dbraw/zinc/93/21/21/590932121.db2.gz NZIGJEGDFIAIRH-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000880130275 590932125 /nfs/dbraw/zinc/93/21/25/590932125.db2.gz NZIGJEGDFIAIRH-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[N@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880130275 590932126 /nfs/dbraw/zinc/93/21/26/590932126.db2.gz NZIGJEGDFIAIRH-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[N@@H+]1CC[C@H]2[C@H]1CCC[NH+]2C ZINC000880130275 590932129 /nfs/dbraw/zinc/93/21/29/590932129.db2.gz NZIGJEGDFIAIRH-JKSUJKDBSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@H+]3C)cc1 ZINC000880131003 590932435 /nfs/dbraw/zinc/93/24/35/590932435.db2.gz JADQTCPERRGUNX-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000880131003 590932437 /nfs/dbraw/zinc/93/24/37/590932437.db2.gz JADQTCPERRGUNX-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880131003 590932438 /nfs/dbraw/zinc/93/24/38/590932438.db2.gz JADQTCPERRGUNX-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCC[NH+]3C)cc1 ZINC000880131003 590932442 /nfs/dbraw/zinc/93/24/42/590932442.db2.gz JADQTCPERRGUNX-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC000880134184 590936493 /nfs/dbraw/zinc/93/64/93/590936493.db2.gz RUIHJRHQTRQLDQ-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1CCCC1 ZINC000880134184 590936496 /nfs/dbraw/zinc/93/64/96/590936496.db2.gz RUIHJRHQTRQLDQ-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC000880134184 590936499 /nfs/dbraw/zinc/93/64/99/590936499.db2.gz RUIHJRHQTRQLDQ-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC1CCCC1 ZINC000880134184 590936500 /nfs/dbraw/zinc/93/65/00/590936500.db2.gz RUIHJRHQTRQLDQ-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880142573 590937446 /nfs/dbraw/zinc/93/74/46/590937446.db2.gz QMJHPXUSLCXTAR-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880142573 590937447 /nfs/dbraw/zinc/93/74/47/590937447.db2.gz QMJHPXUSLCXTAR-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880142573 590937451 /nfs/dbraw/zinc/93/74/51/590937451.db2.gz QMJHPXUSLCXTAR-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880142573 590937452 /nfs/dbraw/zinc/93/74/52/590937452.db2.gz QMJHPXUSLCXTAR-ZIAGYGMSSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]C1CCCCCCC1 ZINC000130159422 591441790 /nfs/dbraw/zinc/44/17/90/591441790.db2.gz PXVLLAPMDXIAHJ-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883193982 591568731 /nfs/dbraw/zinc/56/87/31/591568731.db2.gz KPGSFQLEZWJJRY-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883193982 591568734 /nfs/dbraw/zinc/56/87/34/591568734.db2.gz KPGSFQLEZWJJRY-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883193983 591569168 /nfs/dbraw/zinc/56/91/68/591569168.db2.gz KPGSFQLEZWJJRY-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883193983 591569173 /nfs/dbraw/zinc/56/91/73/591569173.db2.gz KPGSFQLEZWJJRY-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCCC3(CC3)C1)C2 ZINC000883223296 591577725 /nfs/dbraw/zinc/57/77/25/591577725.db2.gz MFXCTWJTIZBDJY-VXGBXAGGSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC3(CC3)C1)CC2 ZINC000883223296 591577727 /nfs/dbraw/zinc/57/77/27/591577727.db2.gz MFXCTWJTIZBDJY-VXGBXAGGSA-N 2 2 245.370 2.579 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322804 591616522 /nfs/dbraw/zinc/61/65/22/591616522.db2.gz WASIQAFWWAUXSF-IVCRCZCHSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322804 591616524 /nfs/dbraw/zinc/61/65/24/591616524.db2.gz WASIQAFWWAUXSF-IVCRCZCHSA-N 2 2 248.414 2.637 20 0 BFADLP Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c[nH+]c1C ZINC000883341942 591620687 /nfs/dbraw/zinc/62/06/87/591620687.db2.gz FKKORTSQIADQAW-HIFRSBDPSA-N 2 2 245.370 2.737 20 0 BFADLP Cc1cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c[nH+]c1C ZINC000883341942 591620691 /nfs/dbraw/zinc/62/06/91/591620691.db2.gz FKKORTSQIADQAW-HIFRSBDPSA-N 2 2 245.370 2.737 20 0 BFADLP Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c[nH+]c1C ZINC000883342347 591621770 /nfs/dbraw/zinc/62/17/70/591621770.db2.gz TYCNJSCNPAKCFT-SMDDNHRTSA-N 2 2 245.370 2.736 20 0 BFADLP Cc1cc(N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c[nH+]c1C ZINC000883342347 591621773 /nfs/dbraw/zinc/62/17/73/591621773.db2.gz TYCNJSCNPAKCFT-SMDDNHRTSA-N 2 2 245.370 2.736 20 0 BFADLP Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c[nH+]c1C ZINC000883342346 591621844 /nfs/dbraw/zinc/62/18/44/591621844.db2.gz TYCNJSCNPAKCFT-RISCZKNCSA-N 2 2 245.370 2.736 20 0 BFADLP Cc1cc(N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c[nH+]c1C ZINC000883342346 591621847 /nfs/dbraw/zinc/62/18/47/591621847.db2.gz TYCNJSCNPAKCFT-RISCZKNCSA-N 2 2 245.370 2.736 20 0 BFADLP CC[N@@H+]1CC[C@@H]1C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000883356521 591627062 /nfs/dbraw/zinc/62/70/62/591627062.db2.gz QGSKALVFNUIHMI-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP CC[N@H+]1CC[C@@H]1C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000883356521 591627064 /nfs/dbraw/zinc/62/70/64/591627064.db2.gz QGSKALVFNUIHMI-GDBMZVCRSA-N 2 2 246.398 2.610 20 0 BFADLP CCCCCC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000132001493 591683450 /nfs/dbraw/zinc/68/34/50/591683450.db2.gz CARCMOFONRUMFR-QWHCGFSZSA-N 2 2 224.392 2.782 20 0 BFADLP CCCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132001493 591683454 /nfs/dbraw/zinc/68/34/54/591683454.db2.gz CARCMOFONRUMFR-QWHCGFSZSA-N 2 2 224.392 2.782 20 0 BFADLP Cc1ccc(N[C@@H]2C[C@@H]([NH3+])c3ccccc32)c[nH+]1 ZINC000132203982 591693388 /nfs/dbraw/zinc/69/33/88/591693388.db2.gz TWXKBIOTLAOKJM-HUUCEWRRSA-N 2 2 239.322 2.947 20 0 BFADLP Cc1ccc([N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000300131362 592503328 /nfs/dbraw/zinc/50/33/28/592503328.db2.gz BHTXMDWCLKVRSO-ZIAGYGMSSA-N 2 2 232.371 2.819 20 0 BFADLP Cc1ccc([N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000300131362 592503330 /nfs/dbraw/zinc/50/33/30/592503330.db2.gz BHTXMDWCLKVRSO-ZIAGYGMSSA-N 2 2 232.371 2.819 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000054111191 635392305 /nfs/dbraw/zinc/39/23/05/635392305.db2.gz DWJINKUKYTZISZ-UHFFFAOYSA-N 2 2 246.398 2.862 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C1CC(c2ccccc2)C1 ZINC000054111191 635392309 /nfs/dbraw/zinc/39/23/09/635392309.db2.gz DWJINKUKYTZISZ-UHFFFAOYSA-N 2 2 246.398 2.862 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000252117430 635706414 /nfs/dbraw/zinc/70/64/14/635706414.db2.gz IULAUSMJPUWVAN-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000252117430 635706422 /nfs/dbraw/zinc/70/64/22/635706422.db2.gz IULAUSMJPUWVAN-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C ZINC000309463034 632100544 /nfs/dbraw/zinc/10/05/44/632100544.db2.gz OKIPLVFKVNOPLF-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C ZINC000309463034 632100549 /nfs/dbraw/zinc/10/05/49/632100549.db2.gz OKIPLVFKVNOPLF-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000235516122 632774089 /nfs/dbraw/zinc/77/40/89/632774089.db2.gz QXSPKFAVWOCXDU-GXFFZTMASA-N 2 2 238.762 2.743 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)c1 ZINC000235516089 632774328 /nfs/dbraw/zinc/77/43/28/632774328.db2.gz HCOKUUAWLSGFGE-UONOGXRCSA-N 2 2 232.371 2.706 20 0 BFADLP CCCCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000924540228 632783553 /nfs/dbraw/zinc/78/35/53/632783553.db2.gz DNDFKZZLLCLRAB-ZIAGYGMSSA-N 2 2 224.392 2.783 20 0 BFADLP CCCCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000924540228 632783555 /nfs/dbraw/zinc/78/35/55/632783555.db2.gz DNDFKZZLLCLRAB-ZIAGYGMSSA-N 2 2 224.392 2.783 20 0 BFADLP C1=CCC(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926744124 632941839 /nfs/dbraw/zinc/94/18/39/632941839.db2.gz LGHBRCSNIZQHFM-LSDHHAIUSA-N 2 2 234.387 2.559 20 0 BFADLP C1=CCC(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926744124 632941842 /nfs/dbraw/zinc/94/18/42/632941842.db2.gz LGHBRCSNIZQHFM-LSDHHAIUSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC1(C)C)[NH+]1CCCCC1 ZINC000309449409 633082903 /nfs/dbraw/zinc/08/29/03/633082903.db2.gz QKXUSJDTEYROFL-CHWSQXEVSA-N 2 2 224.392 2.639 20 0 BFADLP C1=C[C@H](C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926838005 633190995 /nfs/dbraw/zinc/19/09/95/633190995.db2.gz QRBJEMFFZBMFGX-ZNMIVQPWSA-N 2 2 234.387 2.559 20 0 BFADLP C1=C[C@H](C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926838005 633190998 /nfs/dbraw/zinc/19/09/98/633190998.db2.gz QRBJEMFFZBMFGX-ZNMIVQPWSA-N 2 2 234.387 2.559 20 0 BFADLP [NH3+][C@H](C[NH2+]C1CCCCCC1)c1ccccc1 ZINC000040397450 633752100 /nfs/dbraw/zinc/75/21/00/633752100.db2.gz AFIVVAAPIPVXOH-OAHLLOKOSA-N 2 2 232.371 2.999 20 0 BFADLP C1CC1C1([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000926873501 633758004 /nfs/dbraw/zinc/75/80/04/633758004.db2.gz GGLMNEJWCZLLSZ-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP C1CC1C1([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000926873501 633758008 /nfs/dbraw/zinc/75/80/08/633758008.db2.gz GGLMNEJWCZLLSZ-CABCVRRESA-N 2 2 248.414 2.926 20 0 BFADLP CC(C)C[C@H](C[NH2+]C[C@H]1CC=CCC1)[NH+](C)C ZINC000020201790 633810021 /nfs/dbraw/zinc/81/00/21/633810021.db2.gz QSBWKEPCVHSBTF-LSDHHAIUSA-N 2 2 238.419 2.909 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[N@H+](C)C(C)C ZINC000053344182 634171326 /nfs/dbraw/zinc/17/13/26/634171326.db2.gz OSRJXVCPHBJZMH-CYBMUJFWSA-N 2 2 214.397 2.741 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[N@@H+](C)C(C)C ZINC000053344182 634171330 /nfs/dbraw/zinc/17/13/30/634171330.db2.gz OSRJXVCPHBJZMH-CYBMUJFWSA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1C)c1cccc(C)c1 ZINC000925783642 635291684 /nfs/dbraw/zinc/29/16/84/635291684.db2.gz KNYSIRNBGSGTJI-VHDGCEQUSA-N 2 2 232.371 2.644 20 0 BFADLP CC(C)[NH+]1CCC([N@H+](C)C/C=C\Cl)CC1 ZINC000726070919 635739484 /nfs/dbraw/zinc/73/94/84/635739484.db2.gz CFWCFRKJFMNKHW-DAXSKMNVSA-N 2 2 230.783 2.544 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+](C)C/C=C\Cl)CC1 ZINC000726070919 635739487 /nfs/dbraw/zinc/73/94/87/635739487.db2.gz CFWCFRKJFMNKHW-DAXSKMNVSA-N 2 2 230.783 2.544 20 0 BFADLP c1cn(CC[NH2+][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000041063702 636963112 /nfs/dbraw/zinc/96/31/12/636963112.db2.gz XSMHPGOFWXJKLP-RBSFLKMASA-N 2 2 247.386 2.832 20 0 BFADLP C(C1CCCC1)[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903463744 637364266 /nfs/dbraw/zinc/36/42/66/637364266.db2.gz KZTKXHWZFOWISQ-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCCC1)[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903463744 637364272 /nfs/dbraw/zinc/36/42/72/637364272.db2.gz KZTKXHWZFOWISQ-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP [NH3+]C1(C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000904450334 637417382 /nfs/dbraw/zinc/41/73/82/637417382.db2.gz RWNFERZXZKGQDQ-UHFFFAOYSA-N 2 2 245.153 2.574 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000924827649 639298877 /nfs/dbraw/zinc/29/88/77/639298877.db2.gz JRLBSTDCJCKXOS-BPLDGKMQSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000924827649 639298880 /nfs/dbraw/zinc/29/88/80/639298880.db2.gz JRLBSTDCJCKXOS-BPLDGKMQSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)CC[N@H+](CC[NH2+]C(C)(C)C)C1CC1 ZINC000109278904 640884841 /nfs/dbraw/zinc/88/48/41/640884841.db2.gz JTDTUZWRLQQFTP-UHFFFAOYSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[N@@H+](CC[NH2+]C(C)(C)C)C1CC1 ZINC000109278904 640884845 /nfs/dbraw/zinc/88/48/45/640884845.db2.gz JTDTUZWRLQQFTP-UHFFFAOYSA-N 2 2 226.408 2.885 20 0 BFADLP CCC1(C)CC[NH+](CC[NH2+]C(C)(C)C)CC1 ZINC000062953105 641115731 /nfs/dbraw/zinc/11/57/31/641115731.db2.gz CHFYXAKHWPBHPQ-UHFFFAOYSA-N 2 2 226.408 2.887 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723560266 711516809 /nfs/dbraw/zinc/51/68/09/711516809.db2.gz RUAXKXPIBBYJBB-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000920182355 642446981 /nfs/dbraw/zinc/44/69/81/642446981.db2.gz MSNWBQJTFGFTRZ-UHFFFAOYSA-N 2 2 229.327 2.762 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+]1CCCCC1)C1CC1 ZINC000083055704 643405524 /nfs/dbraw/zinc/40/55/24/643405524.db2.gz PXBZZRCUGUMDKX-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000049938020 643560338 /nfs/dbraw/zinc/56/03/38/643560338.db2.gz WPAIYBKLCZQGSY-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000049938020 643560339 /nfs/dbraw/zinc/56/03/39/643560339.db2.gz WPAIYBKLCZQGSY-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000250203637 643776958 /nfs/dbraw/zinc/77/69/58/643776958.db2.gz BRLULZSYBWGACR-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000250203637 643776962 /nfs/dbraw/zinc/77/69/62/643776962.db2.gz BRLULZSYBWGACR-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925485230 645200176 /nfs/dbraw/zinc/20/01/76/645200176.db2.gz MBDHIYYBUBVBIC-KBXIAJHMSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925485230 645200190 /nfs/dbraw/zinc/20/01/90/645200190.db2.gz MBDHIYYBUBVBIC-KBXIAJHMSA-N 2 2 236.403 2.782 20 0 BFADLP CC/C=C\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926516844 645249556 /nfs/dbraw/zinc/24/95/56/645249556.db2.gz OZFXCNAHRFYENF-FJDWXNHUSA-N 2 2 222.376 2.559 20 0 BFADLP CC/C=C\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926516844 645249562 /nfs/dbraw/zinc/24/95/62/645249562.db2.gz OZFXCNAHRFYENF-FJDWXNHUSA-N 2 2 222.376 2.559 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926521237 645252185 /nfs/dbraw/zinc/25/21/85/645252185.db2.gz MYVLATABWBJAEC-BARDWOONSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926521237 645252198 /nfs/dbraw/zinc/25/21/98/645252198.db2.gz MYVLATABWBJAEC-BARDWOONSA-N 2 2 236.403 2.639 20 0 BFADLP C1[C@H]2CCC[C@@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@H]34)[C@@H]12 ZINC000926639987 645326597 /nfs/dbraw/zinc/32/65/97/645326597.db2.gz TWBGRVBVOGKUQB-DGADGQDISA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CCC[C@@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@H]34)[C@@H]12 ZINC000926639987 645326603 /nfs/dbraw/zinc/32/66/03/645326603.db2.gz TWBGRVBVOGKUQB-DGADGQDISA-N 2 2 248.414 2.782 20 0 BFADLP CC(C)(F)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926703705 645370334 /nfs/dbraw/zinc/37/03/34/645370334.db2.gz VRBLZXSHSAVRAY-OLZOCXBDSA-N 2 2 242.382 2.731 20 0 BFADLP CC(C)(F)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926703705 645370338 /nfs/dbraw/zinc/37/03/38/645370338.db2.gz VRBLZXSHSAVRAY-OLZOCXBDSA-N 2 2 242.382 2.731 20 0 BFADLP CCC1(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925499179 645936955 /nfs/dbraw/zinc/93/69/55/645936955.db2.gz WOPLRVPTOHFUQK-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CCC1(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925499179 645936960 /nfs/dbraw/zinc/93/69/60/645936960.db2.gz WOPLRVPTOHFUQK-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP CC(C)=CC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925657186 646393908 /nfs/dbraw/zinc/39/39/08/646393908.db2.gz JBVKLMSWKYHDOZ-JSGCOSHPSA-N 2 2 218.344 2.631 20 0 BFADLP C[C@H]([NH3+])[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1 ZINC000925707457 646432919 /nfs/dbraw/zinc/43/29/19/646432919.db2.gz PVJHFMWKWARWPX-KSYCFECVSA-N 2 2 244.382 2.853 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c1C ZINC000925783686 646479776 /nfs/dbraw/zinc/47/97/76/646479776.db2.gz DUIIRSAQQAFHKX-OSAQELSMSA-N 2 2 232.371 2.562 20 0 BFADLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1 ZINC000925824895 646498044 /nfs/dbraw/zinc/49/80/44/646498044.db2.gz WASLEIJXQCUQOV-NHTPUQFSSA-N 2 2 244.382 2.709 20 0 BFADLP CC1(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000926327897 646617698 /nfs/dbraw/zinc/61/76/98/646617698.db2.gz VWENYMWTOSRGQV-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000926327897 646617702 /nfs/dbraw/zinc/61/77/02/646617702.db2.gz VWENYMWTOSRGQV-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@@H]([NH2+]C1CC3(C1)CCCC3)C2 ZINC000926450770 646641373 /nfs/dbraw/zinc/64/13/73/646641373.db2.gz QTUCMXIGOXFBNG-LLVKDONJSA-N 2 2 245.370 2.579 20 0 BFADLP CC[C@@H](C)C[NH2+][C@H](CC(C)C)C[NH+](C)C ZINC000037166584 712549677 /nfs/dbraw/zinc/54/96/77/712549677.db2.gz DJMXVYWIEIAHPQ-CHWSQXEVSA-N 2 2 214.397 2.598 20 0 BFADLP CC(C)C[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156305 712549862 /nfs/dbraw/zinc/54/98/62/712549862.db2.gz KVLWWZJNSSBCAV-GFCCVEGCSA-N 2 2 223.364 2.543 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000381297955 710618366 /nfs/dbraw/zinc/61/83/66/710618366.db2.gz ASLPTBOVOTUPLG-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCC(C)(C)C1 ZINC000381297955 710618368 /nfs/dbraw/zinc/61/83/68/710618368.db2.gz ASLPTBOVOTUPLG-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CC2CCC1CC2)C1CC1 ZINC000382178344 710805958 /nfs/dbraw/zinc/80/59/58/710805958.db2.gz XJPPIGKCKRBSQR-PIMMBPRGSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CC2CCC1CC2)C1CC1 ZINC000382178344 710805960 /nfs/dbraw/zinc/80/59/60/710805960.db2.gz XJPPIGKCKRBSQR-PIMMBPRGSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CCC1)[NH+]1CCCCC1 ZINC000390124929 711106586 /nfs/dbraw/zinc/10/65/86/711106586.db2.gz HJOLGFKYJDLDJY-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)(C)C ZINC000381257675 710613088 /nfs/dbraw/zinc/61/30/88/710613088.db2.gz RCHXVWHMTNHKIQ-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)C(C)(C)C ZINC000381257675 710613093 /nfs/dbraw/zinc/61/30/93/710613093.db2.gz RCHXVWHMTNHKIQ-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC3(CC3)C2)CCC1 ZINC000723573741 711519188 /nfs/dbraw/zinc/51/91/88/711519188.db2.gz LMIQDTTXVVBBLF-ZDUSSCGKSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000382455467 711554738 /nfs/dbraw/zinc/55/47/38/711554738.db2.gz SXZUUPSUCZANRW-AGIUHOORSA-N 2 2 235.375 2.686 20 0 BFADLP Cc1[nH]c(C[NH2+][C@@H]2CC3CCC2CC3)c(C)[nH+]1 ZINC000724792179 711614873 /nfs/dbraw/zinc/61/48/73/711614873.db2.gz SIMDHPAQHVMTJS-WXRRBKDZSA-N 2 2 233.359 2.695 20 0 BFADLP CC(C)C1CC([NH2+]C[C@@H](C)[NH+]2CCCCC2)C1 ZINC000232537299 711760911 /nfs/dbraw/zinc/76/09/11/711760911.db2.gz DYBUPQLVICQROY-WLYUNCDWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1scc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1C ZINC000399822243 711761430 /nfs/dbraw/zinc/76/14/30/711761430.db2.gz FRMOQVNTISSCID-ZWNOBZJWSA-N 2 2 238.400 2.595 20 0 BFADLP C=C/C=C/CC[N@@H+](CC[NH3+])Cc1ccccc1 ZINC000713739114 712470667 /nfs/dbraw/zinc/47/06/67/712470667.db2.gz IEQVCVXWSONYHD-ONEGZZNKSA-N 2 2 230.355 2.580 20 0 BFADLP C=C/C=C/CC[N@H+](CC[NH3+])Cc1ccccc1 ZINC000713739114 712470669 /nfs/dbraw/zinc/47/06/69/712470669.db2.gz IEQVCVXWSONYHD-ONEGZZNKSA-N 2 2 230.355 2.580 20 0 BFADLP CC[C@@H](C)[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156484 712549717 /nfs/dbraw/zinc/54/97/17/712549717.db2.gz TYPWABHRTKXTHA-VXGBXAGGSA-N 2 2 223.364 2.686 20 0 BFADLP Cc1coc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000718095633 712742946 /nfs/dbraw/zinc/74/29/46/712742946.db2.gz WIVGBSOJQHXASS-STQMWFEESA-N 2 2 236.359 2.550 20 0 BFADLP CC1(C)C[N@H+](Cc2ccccc2C2CC2)C[C@H]1[NH3+] ZINC000720823230 712867895 /nfs/dbraw/zinc/86/78/95/712867895.db2.gz BAVYYSJEUYTIJR-OAHLLOKOSA-N 2 2 244.382 2.733 20 0 BFADLP CC1(C)C[N@@H+](Cc2ccccc2C2CC2)C[C@H]1[NH3+] ZINC000720823230 712867897 /nfs/dbraw/zinc/86/78/97/712867897.db2.gz BAVYYSJEUYTIJR-OAHLLOKOSA-N 2 2 244.382 2.733 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001255957850 970597094 /nfs/dbraw/zinc/59/70/94/970597094.db2.gz VTUBKUXIOUCFCD-MGPQQGTHSA-N 2 2 244.398 2.787 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001255957850 970597101 /nfs/dbraw/zinc/59/71/01/970597101.db2.gz VTUBKUXIOUCFCD-MGPQQGTHSA-N 2 2 244.398 2.787 20 0 BFADLP C[C@@H](CC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)C1)CC(C)(C)C ZINC001235910502 979202946 /nfs/dbraw/zinc/20/29/46/979202946.db2.gz QKYGPENPSGHKSU-RWMBFGLXSA-N 2 2 244.398 2.820 20 0 BFADLP C[C@@H](CC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)C1)CC(C)(C)C ZINC001235910502 979202956 /nfs/dbraw/zinc/20/29/56/979202956.db2.gz QKYGPENPSGHKSU-RWMBFGLXSA-N 2 2 244.398 2.820 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccc(SC)cc1 ZINC001236865370 979773163 /nfs/dbraw/zinc/77/31/63/979773163.db2.gz JZUFEPNSJJHMGY-LBPRGKRZSA-N 2 2 238.400 2.578 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccc(SC)cc1 ZINC001236865370 979773172 /nfs/dbraw/zinc/77/31/72/979773172.db2.gz JZUFEPNSJJHMGY-LBPRGKRZSA-N 2 2 238.400 2.578 20 0 BFADLP CC(C)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC001331804000 974823705 /nfs/dbraw/zinc/82/37/05/974823705.db2.gz QQMJJLJSSKXAKY-CQSZACIVSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC001331804000 974823707 /nfs/dbraw/zinc/82/37/07/974823707.db2.gz QQMJJLJSSKXAKY-CQSZACIVSA-N 2 2 224.392 2.639 20 0 BFADLP C/C(=C\C=C\[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC001243747152 970904700 /nfs/dbraw/zinc/90/47/00/970904700.db2.gz HDBODSIUCCEHBI-PMHYKQBESA-N 2 2 246.354 2.503 20 0 BFADLP CNc1cc(Nc2cccc(C)[nH+]2)cc[nH+]1 ZINC001216331160 971042036 /nfs/dbraw/zinc/04/20/36/971042036.db2.gz LHNCKUDJUYARJU-UHFFFAOYSA-N 2 2 214.272 2.570 20 0 BFADLP CNc1cc(Nc2ccn3cc[nH+]c3c2)cc[nH+]1 ZINC001216334117 971048976 /nfs/dbraw/zinc/04/89/76/971048976.db2.gz UEUSUPKDRQTMPO-UHFFFAOYSA-N 2 2 239.282 2.515 20 0 BFADLP CCC[C@@H](CC)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257260237 971158891 /nfs/dbraw/zinc/15/88/91/971158891.db2.gz QXPOYJMFRMTNFA-GFCCVEGCSA-N 2 2 221.348 2.586 20 0 BFADLP CCC[C@@H](CC)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001257260237 971158893 /nfs/dbraw/zinc/15/88/93/971158893.db2.gz QXPOYJMFRMTNFA-GFCCVEGCSA-N 2 2 221.348 2.586 20 0 BFADLP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001257312095 971205492 /nfs/dbraw/zinc/20/54/92/971205492.db2.gz UKFORFSRLZSKQE-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001257312095 971205497 /nfs/dbraw/zinc/20/54/97/971205497.db2.gz UKFORFSRLZSKQE-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCCCCC[C@H](CC)[NH2+]CC1C[NH+](C)C1 ZINC001170588249 971287991 /nfs/dbraw/zinc/28/79/91/971287991.db2.gz SOHZLSSDEBAQFX-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC(C)C[N@@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC001257452702 971369769 /nfs/dbraw/zinc/36/97/69/971369769.db2.gz JMGKGFABESYAQW-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[N@H+]1CC[C@H]([NH2+]C2CCCCC2)C1 ZINC001257452702 971369780 /nfs/dbraw/zinc/36/97/80/971369780.db2.gz JMGKGFABESYAQW-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[C@H](C)n1cc[nH+]c1CC[NH3+] ZINC001257501437 971412478 /nfs/dbraw/zinc/41/24/78/971412478.db2.gz HMLDFZWNBVGUTI-NSHDSACASA-N 2 2 209.337 2.526 20 0 BFADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@@H+](C4CCC4)C3)C[C@@H]21 ZINC001170731443 971670837 /nfs/dbraw/zinc/67/08/37/971670837.db2.gz QRMSOFOMHRYUMN-NZBPQXDJSA-N 2 2 248.414 2.637 20 0 BFADLP CC1(C)[C@@H]2C[C@@H]([NH2+][C@H]3CC[N@H+](C4CCC4)C3)C[C@@H]21 ZINC001170731443 971670847 /nfs/dbraw/zinc/67/08/47/971670847.db2.gz QRMSOFOMHRYUMN-NZBPQXDJSA-N 2 2 248.414 2.637 20 0 BFADLP CCCC[C@H](CC(C)C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246097393 972148194 /nfs/dbraw/zinc/14/81/94/972148194.db2.gz OFYRSPXINLUIDA-RDBSUJKOSA-N 2 2 244.398 2.881 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246167045 972201557 /nfs/dbraw/zinc/20/15/57/972201557.db2.gz BESQMJSHVHFCTG-ZBFHGGJFSA-N 2 2 246.398 2.945 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CCCC[NH2+]C2)c(C)c1 ZINC001246184491 972210088 /nfs/dbraw/zinc/21/00/88/972210088.db2.gz LHMOUCHAFHQMNJ-OAHLLOKOSA-N 2 2 246.398 2.844 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+][C@@H](C)C2)c(C)c1 ZINC001246290176 972258409 /nfs/dbraw/zinc/25/84/09/972258409.db2.gz FZFOVARJAKIXOY-IHRRRGAJSA-N 2 2 232.371 2.704 20 0 BFADLP C[NH2+]CC[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000720740496 972264466 /nfs/dbraw/zinc/26/44/66/972264466.db2.gz OSOXCPVSWJWJKB-ZDUSSCGKSA-N 2 2 220.360 2.677 20 0 BFADLP C[NH2+]CC[N@@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000720740496 972264469 /nfs/dbraw/zinc/26/44/69/972264469.db2.gz OSOXCPVSWJWJKB-ZDUSSCGKSA-N 2 2 220.360 2.677 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3F)C[NH2+]1 ZINC001246313533 972276127 /nfs/dbraw/zinc/27/61/27/972276127.db2.gz ZYONYYZCVDCNNY-RWSFTLGLSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000092932976 957639921 /nfs/dbraw/zinc/63/99/21/957639921.db2.gz KZBHZQGQBLBFTL-GXTWGEPZSA-N 2 2 233.359 2.709 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[NH2+][C@H](C)C1)c1ccc(C)cc1 ZINC001246465096 972338896 /nfs/dbraw/zinc/33/88/96/972338896.db2.gz ZOSABSULVVLJSZ-BPLDGKMQSA-N 2 2 232.371 2.786 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1C ZINC000399489563 958751773 /nfs/dbraw/zinc/75/17/73/958751773.db2.gz SOABKOCQLPCQEJ-DZGCQCFKSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@@H]2C)cc1C ZINC000399489563 958751787 /nfs/dbraw/zinc/75/17/87/958751787.db2.gz SOABKOCQLPCQEJ-DZGCQCFKSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1C ZINC000399489567 958753499 /nfs/dbraw/zinc/75/34/99/958753499.db2.gz SOABKOCQLPCQEJ-HIFRSBDPSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)cc1C ZINC000399489567 958753506 /nfs/dbraw/zinc/75/35/06/958753506.db2.gz SOABKOCQLPCQEJ-HIFRSBDPSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1cc(-c2ccc3c(c2)C[NH2+]C3)cc(C)[nH+]1 ZINC000707972585 958879710 /nfs/dbraw/zinc/87/97/10/958879710.db2.gz CTZNIMBUZIZFRO-UHFFFAOYSA-N 2 2 224.307 2.969 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000724775895 959441821 /nfs/dbraw/zinc/44/18/21/959441821.db2.gz MMKGONNYUYIAJQ-CHWSQXEVSA-N 2 2 233.359 2.730 20 0 BFADLP Cc1[nH]c(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)c[nH+]1 ZINC000724775895 959441825 /nfs/dbraw/zinc/44/18/25/959441825.db2.gz MMKGONNYUYIAJQ-CHWSQXEVSA-N 2 2 233.359 2.730 20 0 BFADLP C1[C@H]2CC[C@@H]([NH2+][C@H]3CCC[N@@H+]4CCCC[C@@H]34)C[C@@H]12 ZINC000926643201 959754568 /nfs/dbraw/zinc/75/45/68/959754568.db2.gz UKBFUERSINJJOT-SUJAAXHWSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CC[C@@H]([NH2+][C@H]3CCC[N@H+]4CCCC[C@@H]34)C[C@@H]12 ZINC000926643201 959754579 /nfs/dbraw/zinc/75/45/79/959754579.db2.gz UKBFUERSINJJOT-SUJAAXHWSA-N 2 2 248.414 2.782 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000695735178 960410704 /nfs/dbraw/zinc/41/07/04/960410704.db2.gz ALDOEFMEFJKOOQ-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C/C(=C\C=C\[NH3+])c1ccc(C[NH+](C)C)cc1 ZINC001204638492 960428582 /nfs/dbraw/zinc/42/85/82/960428582.db2.gz IHHOVAUKIGUJPW-JBZDOKMESA-N 2 2 216.328 2.624 20 0 BFADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001140799744 960583862 /nfs/dbraw/zinc/58/38/62/960583862.db2.gz KQFBGVFQAHEBGL-RYUDHWBXSA-N 2 2 241.338 2.795 20 0 BFADLP F[C@@H]1CCC[N@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140801779 960594230 /nfs/dbraw/zinc/59/42/30/960594230.db2.gz FRQLCRRAQGBVKN-GFCCVEGCSA-N 2 2 247.317 2.887 20 0 BFADLP F[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)CC1 ZINC001140801779 960594249 /nfs/dbraw/zinc/59/42/49/960594249.db2.gz FRQLCRRAQGBVKN-GFCCVEGCSA-N 2 2 247.317 2.887 20 0 BFADLP C[C@]1(CF)CC[N@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801885 960597390 /nfs/dbraw/zinc/59/73/90/960597390.db2.gz JRCFTIPJELOGQH-CQSZACIVSA-N 2 2 247.317 2.744 20 0 BFADLP C[C@]1(CF)CC[N@@H+](Cc2c[nH]c3cc[nH+]cc23)C1 ZINC001140801885 960597398 /nfs/dbraw/zinc/59/73/98/960597398.db2.gz JRCFTIPJELOGQH-CQSZACIVSA-N 2 2 247.317 2.744 20 0 BFADLP C[C@@H]1CC[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000092932975 962038360 /nfs/dbraw/zinc/03/83/60/962038360.db2.gz KZBHZQGQBLBFTL-TZMCWYRMSA-N 2 2 233.359 2.709 20 0 BFADLP C[C@@H]1CC[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000092932973 962043071 /nfs/dbraw/zinc/04/30/71/962043071.db2.gz KZBHZQGQBLBFTL-OCCSQVGLSA-N 2 2 233.359 2.709 20 0 BFADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001204945927 962128623 /nfs/dbraw/zinc/12/86/23/962128623.db2.gz KIWIALMQSWKROH-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(C3CC3)cc2)C1 ZINC001204945927 962128633 /nfs/dbraw/zinc/12/86/33/962128633.db2.gz KIWIALMQSWKROH-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP Cc1c[nH+]c(NCc2ccc(N)[nH+]c2C)c(C)c1 ZINC001156981315 963506459 /nfs/dbraw/zinc/50/64/59/963506459.db2.gz ZIIFUFSNGHEEIG-UHFFFAOYSA-N 2 2 242.326 2.596 20 0 BFADLP CC(C)c1ccc(N2CCC[C@](C)(C[NH3+])C2)[nH+]c1 ZINC001158679748 963903349 /nfs/dbraw/zinc/90/33/49/963903349.db2.gz XKQOOYNNDXWFBN-OAHLLOKOSA-N 2 2 247.386 2.770 20 0 BFADLP Clc1ccc2c(NC3=CC[NH2+]C3)cc[nH+]c2c1 ZINC001159254775 964037893 /nfs/dbraw/zinc/03/78/93/964037893.db2.gz NVWAUEPRHGRRBZ-UHFFFAOYSA-N 2 2 245.713 2.787 20 0 BFADLP Cc1cc2ccccc2[nH+]c1N[C@H]1C[C@@](C)([NH3+])C1 ZINC001162328288 964930539 /nfs/dbraw/zinc/93/05/39/964930539.db2.gz MRRMVVLERLQLNS-JNSHFYNHSA-N 2 2 241.338 2.835 20 0 BFADLP Cc1cc2cc(N[C@H]3CCC[C@H]([NH3+])C3)[nH+]cc2[nH]1 ZINC001162394535 964956045 /nfs/dbraw/zinc/95/60/45/964956045.db2.gz QLRWHHLTPLJCFG-RYUDHWBXSA-N 2 2 244.342 2.553 20 0 BFADLP CC/C=C\CCCCC[N@H+](C)CC[NH2+]C ZINC001204720892 965093257 /nfs/dbraw/zinc/09/32/57/965093257.db2.gz YLXYZXLLURSUEH-WAYWQWQTSA-N 2 2 212.381 2.664 20 0 BFADLP CC/C=C\CCCCC[N@@H+](C)CC[NH2+]C ZINC001204720892 965093265 /nfs/dbraw/zinc/09/32/65/965093265.db2.gz YLXYZXLLURSUEH-WAYWQWQTSA-N 2 2 212.381 2.664 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000226776347 965246880 /nfs/dbraw/zinc/24/68/80/965246880.db2.gz SLHGEJXSQFGIAX-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C)C1)C1CC1 ZINC000226776347 965246891 /nfs/dbraw/zinc/24/68/91/965246891.db2.gz SLHGEJXSQFGIAX-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc(C)[nH+]c(N2CC[N@@H+](C(C)C)[C@H](C)C2)c1 ZINC001165198995 965978843 /nfs/dbraw/zinc/97/88/43/965978843.db2.gz NFJRYBPAYCDVOU-CQSZACIVSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1cc(C)[nH+]c(N2CC[N@H+](C(C)C)[C@H](C)C2)c1 ZINC001165198995 965978858 /nfs/dbraw/zinc/97/88/58/965978858.db2.gz NFJRYBPAYCDVOU-CQSZACIVSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1ccc(Nc2cc[nH+]c(N(C)C)c2)c(C)[nH+]1 ZINC001203370706 966619018 /nfs/dbraw/zinc/61/90/18/966619018.db2.gz SQDYPYAPNHCMMG-UHFFFAOYSA-N 2 2 242.326 2.903 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(C)s1 ZINC001204035703 966861245 /nfs/dbraw/zinc/86/12/45/966861245.db2.gz QHPWFXCYOXHKFQ-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(C)s1 ZINC001204035703 966861252 /nfs/dbraw/zinc/86/12/52/966861252.db2.gz QHPWFXCYOXHKFQ-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP C[N@H+]1CCC2(C[NH+](CCCC3CCCC3)C2)C1 ZINC001276451768 966965165 /nfs/dbraw/zinc/96/51/65/966965165.db2.gz DFQNTRHSJUUUGA-UHFFFAOYSA-N 2 2 236.403 2.594 20 0 BFADLP C[N@@H+]1CCC2(C[NH+](CCCC3CCCC3)C2)C1 ZINC001276451768 966965161 /nfs/dbraw/zinc/96/51/61/966965161.db2.gz DFQNTRHSJUUUGA-UHFFFAOYSA-N 2 2 236.403 2.594 20 0 BFADLP Cc1ccc(C)c(Nc2c[nH+]c(N)c(C)c2)[nH+]1 ZINC001249784137 967062008 /nfs/dbraw/zinc/06/20/08/967062008.db2.gz FCDOCOLHXNZOSN-UHFFFAOYSA-N 2 2 228.299 2.728 20 0 BFADLP CCCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205189594 967419715 /nfs/dbraw/zinc/41/97/15/967419715.db2.gz DDLILQMLXJUNFS-IUODEOHRSA-N 2 2 232.371 2.561 20 0 BFADLP CCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC001205189594 967419721 /nfs/dbraw/zinc/41/97/21/967419721.db2.gz DDLILQMLXJUNFS-IUODEOHRSA-N 2 2 232.371 2.561 20 0 BFADLP C[NH2+]Cc1ccc(-c2ccc3[nH+]ccn3c2)cc1 ZINC001240218827 967428609 /nfs/dbraw/zinc/42/86/09/967428609.db2.gz KYLDIOZQJDUMLH-UHFFFAOYSA-N 2 2 237.306 2.721 20 0 BFADLP Cc1[nH]c2ccc(CC[NH+]3CCCC3)cc2[nH+]1 ZINC001250166399 967462071 /nfs/dbraw/zinc/46/20/71/967462071.db2.gz MJAJQAJJPIVYEM-UHFFFAOYSA-N 2 2 229.327 2.510 20 0 BFADLP c1cn(CCC2=CC[C@@H]([NH+]3CCCC3)CC2)c[nH+]1 ZINC001250318599 967689402 /nfs/dbraw/zinc/68/94/02/967689402.db2.gz GWDLMQZBUBRGOJ-OAHLLOKOSA-N 2 2 245.370 2.848 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+](CCC1CCCC1)C2 ZINC001208693231 969196931 /nfs/dbraw/zinc/19/69/31/969196931.db2.gz LRQBQSGYKUPDBS-UHFFFAOYSA-N 2 2 233.359 2.587 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+](CCC1CCCC1)C2 ZINC001208693231 969196933 /nfs/dbraw/zinc/19/69/33/969196933.db2.gz LRQBQSGYKUPDBS-UHFFFAOYSA-N 2 2 233.359 2.587 20 0 BFADLP CC/C=C\CC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001208727548 969213632 /nfs/dbraw/zinc/21/36/32/969213632.db2.gz OBQPVCTYWMISBC-ARJAWSKDSA-N 2 2 248.414 2.760 20 0 BFADLP CC/C=C\CC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001208727548 969213639 /nfs/dbraw/zinc/21/36/39/969213639.db2.gz OBQPVCTYWMISBC-ARJAWSKDSA-N 2 2 248.414 2.760 20 0 BFADLP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001169142645 969457649 /nfs/dbraw/zinc/45/76/49/969457649.db2.gz FDYIPSQSCBUXDV-OWYFMNJBSA-N 2 2 248.414 2.876 20 0 BFADLP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001169142645 969457667 /nfs/dbraw/zinc/45/76/67/969457667.db2.gz FDYIPSQSCBUXDV-OWYFMNJBSA-N 2 2 248.414 2.876 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@@H+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001169142645 969457675 /nfs/dbraw/zinc/45/76/75/969457675.db2.gz FDYIPSQSCBUXDV-OWYFMNJBSA-N 2 2 248.414 2.876 20 0 BFADLP C[NH+]1[C@@H]2CC[C@H]1C[C@@H]([N@H+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001169142645 969457689 /nfs/dbraw/zinc/45/76/89/969457689.db2.gz FDYIPSQSCBUXDV-OWYFMNJBSA-N 2 2 248.414 2.876 20 0 BFADLP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(C)n2)CC1 ZINC001169230808 969502452 /nfs/dbraw/zinc/50/24/52/969502452.db2.gz JDUWANQTMVJCKN-CYBMUJFWSA-N 2 2 247.386 2.525 20 0 BFADLP CC[NH+]1CCC([NH+]2CC3CCC(CC3)C2)CC1 ZINC001169262166 969518278 /nfs/dbraw/zinc/51/82/78/969518278.db2.gz UONUYSIGDQZDKQ-UHFFFAOYSA-N 2 2 236.403 2.593 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001169249346 969539280 /nfs/dbraw/zinc/53/92/80/969539280.db2.gz HIRFPXMJHCEPCK-KBPBESRZSA-N 2 2 236.403 2.593 20 0 BFADLP CC[NH+]1CCC([N@H+]2CC[C@@H]3CCC[C@H]3C2)CC1 ZINC001169249346 969539285 /nfs/dbraw/zinc/53/92/85/969539285.db2.gz HIRFPXMJHCEPCK-KBPBESRZSA-N 2 2 236.403 2.593 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH+]2Cc3cccc(F)c3C2)CC1 ZINC001254525210 969721032 /nfs/dbraw/zinc/72/10/32/969721032.db2.gz HGXLOZVQBCBTPO-ZDUSSCGKSA-N 2 2 248.345 2.626 20 0 BFADLP C[N@H+]1CCC[C@H]([NH+]2Cc3cccc(F)c3C2)CC1 ZINC001254525210 969721035 /nfs/dbraw/zinc/72/10/35/969721035.db2.gz HGXLOZVQBCBTPO-ZDUSSCGKSA-N 2 2 248.345 2.626 20 0 BFADLP C[NH+]1CCC[C@H]([N@@H+]2Cc3cccc(F)c3C2)CC1 ZINC001254525210 969721042 /nfs/dbraw/zinc/72/10/42/969721042.db2.gz HGXLOZVQBCBTPO-ZDUSSCGKSA-N 2 2 248.345 2.626 20 0 BFADLP C[NH+]1CCC[C@H]([N@H+]2Cc3cccc(F)c3C2)CC1 ZINC001254525210 969721051 /nfs/dbraw/zinc/72/10/51/969721051.db2.gz HGXLOZVQBCBTPO-ZDUSSCGKSA-N 2 2 248.345 2.626 20 0 BFADLP CC1CCC([NH2+][C@@H]2CC3CC[NH+](CC3)C2)CC1 ZINC001254833407 969795509 /nfs/dbraw/zinc/79/55/09/969795509.db2.gz YAXZRODSSBSAJN-PESDSKBTSA-N 2 2 236.403 2.639 20 0 BFADLP C1C[NH+]2CCC1C[C@@H]([NH2+]C1CCCCCC1)C2 ZINC001254832672 969796944 /nfs/dbraw/zinc/79/69/44/969796944.db2.gz QJVHXENFXHQAQX-OAHLLOKOSA-N 2 2 236.403 2.783 20 0 BFADLP C[NH2+]Cc1cccc(Nc2cccc(C)[nH+]2)c1 ZINC001211134326 970159686 /nfs/dbraw/zinc/15/96/86/970159686.db2.gz ITTUTLFBCUDNHS-UHFFFAOYSA-N 2 2 227.311 2.853 20 0 BFADLP Cc1c[nH+]cc(Nc2cc[nH+]c(N(C)C)c2)c1C ZINC001213527476 970345236 /nfs/dbraw/zinc/34/52/36/970345236.db2.gz NEUMUYAHBIJBRD-UHFFFAOYSA-N 2 2 242.326 2.903 20 0 BFADLP C[C@@H]1CC[C@H](n2cc[nH+]c2[C@H]2CCC[NH2+]C2)C1 ZINC001170149659 970450589 /nfs/dbraw/zinc/45/05/89/970450589.db2.gz LHLQACYLNADDAI-AGIUHOORSA-N 2 2 233.359 2.711 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+](C)Cc1ccccn1 ZINC001255955378 970591022 /nfs/dbraw/zinc/59/10/22/970591022.db2.gz RWSKPKQTTAYZIT-CQSZACIVSA-N 2 2 249.402 2.634 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+](C)Cc1ccccn1 ZINC001255955378 970591031 /nfs/dbraw/zinc/59/10/31/970591031.db2.gz RWSKPKQTTAYZIT-CQSZACIVSA-N 2 2 249.402 2.634 20 0 BFADLP C[NH2+]CC[N@H+](C)CC[C@H](C)CCC=C(C)C ZINC000400850751 970638483 /nfs/dbraw/zinc/63/84/83/970638483.db2.gz WXWLCGCTGSMKIN-CQSZACIVSA-N 2 2 226.408 2.910 20 0 BFADLP C[NH2+]CC[N@@H+](C)CC[C@H](C)CCC=C(C)C ZINC000400850751 970638490 /nfs/dbraw/zinc/63/84/90/970638490.db2.gz WXWLCGCTGSMKIN-CQSZACIVSA-N 2 2 226.408 2.910 20 0 BFADLP C[C@@H]1CCC[C@@H](C)[NH+]1C1CC[NH+](C2CC2)CC1 ZINC001256073032 970639109 /nfs/dbraw/zinc/63/91/09/970639109.db2.gz MCPUFIVXTSLSJK-CHWSQXEVSA-N 2 2 236.403 2.876 20 0 BFADLP C1CC1[NH+]1CCC([N@@H+]2CCC23CCCC3)CC1 ZINC001256075424 970640018 /nfs/dbraw/zinc/64/00/18/970640018.db2.gz KAPZAKCEFJZRBJ-UHFFFAOYSA-N 2 2 234.387 2.632 20 0 BFADLP C1CC1[NH+]1CCC([N@H+]2CCC23CCCC3)CC1 ZINC001256075424 970640031 /nfs/dbraw/zinc/64/00/31/970640031.db2.gz KAPZAKCEFJZRBJ-UHFFFAOYSA-N 2 2 234.387 2.632 20 0 BFADLP CC[N@H+](C1CCCCC1)C1CC[NH+](C)CC1 ZINC001256201386 970695624 /nfs/dbraw/zinc/69/56/24/970695624.db2.gz ASFDRTQCAYXUGN-UHFFFAOYSA-N 2 2 224.392 2.735 20 0 BFADLP CC[N@@H+](C1CCCCC1)C1CC[NH+](C)CC1 ZINC001256201386 970695634 /nfs/dbraw/zinc/69/56/34/970695634.db2.gz ASFDRTQCAYXUGN-UHFFFAOYSA-N 2 2 224.392 2.735 20 0 BFADLP Cc1[nH+]cn([C@@H](C)CCC(C)C)c1CC[NH3+] ZINC001256353121 970749126 /nfs/dbraw/zinc/74/91/26/970749126.db2.gz PIIABVPSZNKEPO-NSHDSACASA-N 2 2 223.364 2.690 20 0 BFADLP C[C@@H]1C[C@@H]([N@@H+]2CCC[NH2+]C[C@@H]2C)CC(C)(C)C1 ZINC001246569894 972829417 /nfs/dbraw/zinc/82/94/17/972829417.db2.gz GJTOQIAJNZIDNA-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([N@H+]2CCC[NH2+]C[C@@H]2C)CC(C)(C)C1 ZINC001246569894 972829420 /nfs/dbraw/zinc/82/94/20/972829420.db2.gz GJTOQIAJNZIDNA-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C)OCC[C@H](C)[NH2+]CC[NH+](CC)CC ZINC001172316420 974524132 /nfs/dbraw/zinc/52/41/32/974524132.db2.gz NYGVTSZVJZAWAT-KBPBESRZSA-N 2 2 244.423 2.512 20 0 BFADLP C[C@@H]1CC[C@@H]([N@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC001172368734 974648827 /nfs/dbraw/zinc/64/88/27/974648827.db2.gz XZPBAMOUGCLMNT-UMVBOHGHSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H]1CC[C@@H]([N@@H+](C)C2CC[NH+](C)CC2)C[C@H]1C ZINC001172368734 974648831 /nfs/dbraw/zinc/64/88/31/974648831.db2.gz XZPBAMOUGCLMNT-UMVBOHGHSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@@H](CC(C)C)n1c[nH+]c(C)c1CC[NH3+] ZINC001172388337 974733885 /nfs/dbraw/zinc/73/38/85/974733885.db2.gz DQNWBNPKWOVGKN-LBPRGKRZSA-N 2 2 223.364 2.690 20 0 BFADLP CCCC[C@@H](CC(C)C)[NH2+]CC1C[NH+](C)C1 ZINC001173251967 975091036 /nfs/dbraw/zinc/09/10/36/975091036.db2.gz GGTHGONEASBWAI-AWEZNQCLSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C1 ZINC001173292020 975265390 /nfs/dbraw/zinc/26/53/90/975265390.db2.gz CYOGESFISSALAT-QPSCCSFWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3[C@H](C2)CCC[NH+]3C)C1 ZINC001173292020 975265397 /nfs/dbraw/zinc/26/53/97/975265397.db2.gz CYOGESFISSALAT-QPSCCSFWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@@H+]3C)C1 ZINC001173292020 975265410 /nfs/dbraw/zinc/26/54/10/975265410.db2.gz CYOGESFISSALAT-QPSCCSFWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3[C@H](C2)CCC[N@H+]3C)C1 ZINC001173292020 975265422 /nfs/dbraw/zinc/26/54/22/975265422.db2.gz CYOGESFISSALAT-QPSCCSFWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001173292014 975267510 /nfs/dbraw/zinc/26/75/10/975267510.db2.gz CYOGESFISSALAT-APIJFGDWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)C1 ZINC001173292014 975267518 /nfs/dbraw/zinc/26/75/18/975267518.db2.gz CYOGESFISSALAT-APIJFGDWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)C1 ZINC001173292014 975267528 /nfs/dbraw/zinc/26/75/28/975267528.db2.gz CYOGESFISSALAT-APIJFGDWSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)C1 ZINC001173292014 975267536 /nfs/dbraw/zinc/26/75/36/975267536.db2.gz CYOGESFISSALAT-APIJFGDWSA-N 2 2 236.403 2.591 20 0 BFADLP C(=C\C1CC1)\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001334402939 976496563 /nfs/dbraw/zinc/49/65/63/976496563.db2.gz MZUJPICVZCZNBF-OGCZOTBESA-N 2 2 234.387 2.559 20 0 BFADLP C(=C\C1CC1)\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001334402939 976496574 /nfs/dbraw/zinc/49/65/74/976496574.db2.gz MZUJPICVZCZNBF-OGCZOTBESA-N 2 2 234.387 2.559 20 0 BFADLP CCc1ccc(C)[nH+]c1Nc1cc[nH+]cc1C ZINC001174536308 976816078 /nfs/dbraw/zinc/81/60/78/976816078.db2.gz UCRBUEALDAYANT-UHFFFAOYSA-N 2 2 227.311 2.821 20 0 BFADLP CCc1[nH+]ccc(C)c1Nc1cc[nH+]cc1C ZINC001174537491 976821974 /nfs/dbraw/zinc/82/19/74/976821974.db2.gz HPPXXKPRRZOTGX-UHFFFAOYSA-N 2 2 227.311 2.821 20 0 BFADLP Cc1cn2cccc(Nc3cc[nH+]c(C)c3)c2[nH+]1 ZINC001174653077 976939035 /nfs/dbraw/zinc/93/90/35/976939035.db2.gz AHHPOQGPKLWFGQ-UHFFFAOYSA-N 2 2 238.294 2.512 20 0 BFADLP CCOc1cc[nH+]cc1Nc1ccc(C[NH3+])cc1 ZINC001175966838 977835528 /nfs/dbraw/zinc/83/55/28/977835528.db2.gz RREMUEIEFBMTTO-UHFFFAOYSA-N 2 2 243.310 2.683 20 0 BFADLP Cc1[nH]c(C[N@H+]2CC[C@H]3CCC[C@H]3C2)c(C)[nH+]1 ZINC001234608861 978872519 /nfs/dbraw/zinc/87/25/19/978872519.db2.gz MCNMPJKMHQFJNW-OLZOCXBDSA-N 2 2 233.359 2.649 20 0 BFADLP C[C@H](CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21)CC(C)(C)C ZINC001235037259 978958594 /nfs/dbraw/zinc/95/85/94/978958594.db2.gz DUYWOYUTQPUKSD-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21)CC(C)(C)C ZINC001235037259 978958602 /nfs/dbraw/zinc/95/86/02/978958602.db2.gz DUYWOYUTQPUKSD-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)=CCC[C@@H](C)CC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235148554 978980458 /nfs/dbraw/zinc/98/04/58/978980458.db2.gz XWMAGQVEXALKGX-ILXRZTDVSA-N 2 2 236.403 2.792 20 0 BFADLP CC(C)=CCC[C@@H](C)CC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235148554 978980463 /nfs/dbraw/zinc/98/04/63/978980463.db2.gz XWMAGQVEXALKGX-ILXRZTDVSA-N 2 2 236.403 2.792 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235168922 978987695 /nfs/dbraw/zinc/98/76/95/978987695.db2.gz HWGPOAGJSQQBPE-GOEBONIOSA-N 2 2 244.382 2.733 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235168922 978987699 /nfs/dbraw/zinc/98/76/99/978987699.db2.gz HWGPOAGJSQQBPE-GOEBONIOSA-N 2 2 244.382 2.733 20 0 BFADLP C(CC1CCCCC1)C[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235182805 978993943 /nfs/dbraw/zinc/99/39/43/978993943.db2.gz GENYVQIQRAXPIO-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP C(CC1CCCCC1)C[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235182805 978993951 /nfs/dbraw/zinc/99/39/51/978993951.db2.gz GENYVQIQRAXPIO-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235261697 979012986 /nfs/dbraw/zinc/01/29/86/979012986.db2.gz PLXPCAUFQYCCSU-HZPDHXFCSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC001235261697 979012990 /nfs/dbraw/zinc/01/29/90/979012990.db2.gz PLXPCAUFQYCCSU-HZPDHXFCSA-N 2 2 244.382 2.604 20 0 BFADLP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236059357 979347649 /nfs/dbraw/zinc/34/76/49/979347649.db2.gz GAQIRTYIMGIQOQ-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP CC[C@H]1c2ccccc2CC[N@@H+]1C[C@@H]1CCC[NH2+]1 ZINC001236059357 979347664 /nfs/dbraw/zinc/34/76/64/979347664.db2.gz GAQIRTYIMGIQOQ-HOCLYGCPSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236071249 979357502 /nfs/dbraw/zinc/35/75/02/979357502.db2.gz HPWMUASVIXQQCV-CZUORRHYSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@@H]1Cc2ccccc2C[N@H+]1C[C@H]1CCCC[NH2+]1 ZINC001236071249 979357512 /nfs/dbraw/zinc/35/75/12/979357512.db2.gz HPWMUASVIXQQCV-CZUORRHYSA-N 2 2 244.382 2.575 20 0 BFADLP [NH3+][C@H](C[NH+]1CC2CCC(CC2)C1)c1ccccc1 ZINC001236089173 979376465 /nfs/dbraw/zinc/37/64/65/979376465.db2.gz QLAUBCKSIWHBIF-ZBCRRDGASA-N 2 2 244.382 2.808 20 0 BFADLP Cc1cccc(C)c1C[N@@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236205239 979449820 /nfs/dbraw/zinc/44/98/20/979449820.db2.gz CVGGVIVDBGPGFT-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cccc(C)c1C[N@H+](C)[C@@]1(C)CCC[NH2+]C1 ZINC001236205239 979449824 /nfs/dbraw/zinc/44/98/24/979449824.db2.gz CVGGVIVDBGPGFT-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP C(C1CCC1)[N@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649772 979688376 /nfs/dbraw/zinc/68/83/76/979688376.db2.gz ZLXBNNNZFZACQP-OAHLLOKOSA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCC1)[N@@H+]([C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649772 979688384 /nfs/dbraw/zinc/68/83/84/979688384.db2.gz ZLXBNNNZFZACQP-OAHLLOKOSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc2occc21 ZINC001236884244 979775721 /nfs/dbraw/zinc/77/57/21/979775721.db2.gz MXLSBKBYIUYGNB-LBPRGKRZSA-N 2 2 232.327 2.602 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc2occc21 ZINC001236884244 979775724 /nfs/dbraw/zinc/77/57/24/979775724.db2.gz MXLSBKBYIUYGNB-LBPRGKRZSA-N 2 2 232.327 2.602 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cc(C)cc(Cl)c1 ZINC001236883530 979777818 /nfs/dbraw/zinc/77/78/18/979777818.db2.gz FIZIQFZULGIDCW-ZDUSSCGKSA-N 2 2 240.778 2.818 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cc(C)cc(Cl)c1 ZINC001236883530 979777823 /nfs/dbraw/zinc/77/78/23/979777823.db2.gz FIZIQFZULGIDCW-ZDUSSCGKSA-N 2 2 240.778 2.818 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(C2CCC2)cc1 ZINC001236907758 979793711 /nfs/dbraw/zinc/79/37/11/979793711.db2.gz GONRRAGGKUAWPM-LBPRGKRZSA-N 2 2 232.371 2.733 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C2CCC2)cc1 ZINC001236907758 979793723 /nfs/dbraw/zinc/79/37/23/979793723.db2.gz GONRRAGGKUAWPM-LBPRGKRZSA-N 2 2 232.371 2.733 20 0 BFADLP [NH3+]C1(c2ccc(-c3ccc4[nH+]ccn4c3)cc2)CC1 ZINC001240219176 981169152 /nfs/dbraw/zinc/16/91/52/981169152.db2.gz DDZLIMVXBWBRPP-UHFFFAOYSA-N 2 2 249.317 2.949 20 0 BFADLP [NH3+]C1(c2cccc(-c3ccc4[nH+]ccn4c3)c2)CC1 ZINC001240218958 981170609 /nfs/dbraw/zinc/17/06/09/981170609.db2.gz RFMSHVKCOHJHNY-UHFFFAOYSA-N 2 2 249.317 2.949 20 0 BFADLP c1cn2cc(-c3ccc4c(c3)C[NH2+]C4)ccc2[nH+]1 ZINC001240219602 981171664 /nfs/dbraw/zinc/17/16/64/981171664.db2.gz PVMAEPXXYGMGBU-UHFFFAOYSA-N 2 2 235.290 2.605 20 0 BFADLP [NH3+]CCc1cccc(-c2ccn3cc[nH+]c3c2)c1 ZINC001240511272 981436519 /nfs/dbraw/zinc/43/65/19/981436519.db2.gz CJVVVRLQXYWYSJ-UHFFFAOYSA-N 2 2 237.306 2.503 20 0 BFADLP C(c1ccc(-n2cc[nH+]c2)cc1)=C1CC[NH2+]CC1 ZINC001240876155 981923515 /nfs/dbraw/zinc/92/35/15/981923515.db2.gz STOZJWCBODXXRC-UHFFFAOYSA-N 2 2 239.322 2.639 20 0 BFADLP Nc1cc(-c2ccc(C[NH+]3CCC3)cc2)cc[nH+]1 ZINC001241169523 982314850 /nfs/dbraw/zinc/31/48/50/982314850.db2.gz CTSIHESCUHPNNP-UHFFFAOYSA-N 2 2 239.322 2.537 20 0 BFADLP C[C@H](C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)C(C)(C)C ZINC001197700851 982587103 /nfs/dbraw/zinc/58/71/03/982587103.db2.gz ACRBALGKAWXKJF-HZSPNIEDSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)C(C)(C)C ZINC001197700851 982587120 /nfs/dbraw/zinc/58/71/20/982587120.db2.gz ACRBALGKAWXKJF-HZSPNIEDSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)C(C)(C)C ZINC001197700851 982587131 /nfs/dbraw/zinc/58/71/31/982587131.db2.gz ACRBALGKAWXKJF-HZSPNIEDSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)C(C)(C)C ZINC001197700851 982587142 /nfs/dbraw/zinc/58/71/42/982587142.db2.gz ACRBALGKAWXKJF-HZSPNIEDSA-N 2 2 238.419 2.837 20 0 BFADLP CCc1ccc(N2CCC([NH2+]C(C)C)CC2)[nH+]c1 ZINC001354102029 983154391 /nfs/dbraw/zinc/15/43/91/983154391.db2.gz LIOYZWHLSQIUTO-UHFFFAOYSA-N 2 2 247.386 2.611 20 0 BFADLP Cc1cn2c(cccc2C2=C[C@H]3CC[C@@H](C2)[NH2+]3)[nH+]1 ZINC001242021221 983230409 /nfs/dbraw/zinc/23/04/09/983230409.db2.gz KXUWQDVNBSUEEH-OLZOCXBDSA-N 2 2 239.322 2.550 20 0 BFADLP Cc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c2[nH+]ccn2c1 ZINC001242023663 983232038 /nfs/dbraw/zinc/23/20/38/983232038.db2.gz GBSQBNKLHPTFMD-OLZOCXBDSA-N 2 2 239.322 2.550 20 0 BFADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CCC(C)C)C1 ZINC001201630239 983357259 /nfs/dbraw/zinc/35/72/59/983357259.db2.gz NINQDRBTXXWBKD-AWEZNQCLSA-N 2 2 248.370 2.889 20 0 BFADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001201630239 983357268 /nfs/dbraw/zinc/35/72/68/983357268.db2.gz NINQDRBTXXWBKD-AWEZNQCLSA-N 2 2 248.370 2.889 20 0 BFADLP Cc1cc(C)c(/C=C/C[NH2+]C[C@@H]2CC[NH2+]2)c(C)c1 ZINC001579571446 984291322 /nfs/dbraw/zinc/29/13/22/984291322.db2.gz FNZDXBDWKVIHLB-RGDDUWESSA-N 2 2 244.382 2.577 20 0 BFADLP CNc1cc(-c2ccc(C[NH2+]C)cc2)cc[nH+]1 ZINC001242994011 984359392 /nfs/dbraw/zinc/35/93/92/984359392.db2.gz MJDPRISYVZQWQN-UHFFFAOYSA-N 2 2 227.311 2.510 20 0 BFADLP CC[C@@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001257437277 985011655 /nfs/dbraw/zinc/01/16/55/985011655.db2.gz GVOGGNGNZXDXDZ-GFCCVEGCSA-N 2 2 234.343 2.723 20 0 BFADLP CC(C)([NH3+])c1ccc(-c2ccc[nH+]c2N)cc1 ZINC001243477075 985037111 /nfs/dbraw/zinc/03/71/11/985037111.db2.gz IIQXNIMNSTXPSD-UHFFFAOYSA-N 2 2 227.311 2.525 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]Cc1ccc2[nH+]ccn2c1 ZINC001258457715 985902404 /nfs/dbraw/zinc/90/24/04/985902404.db2.gz KSZJDOOPUNDRQD-NSHDSACASA-N 2 2 229.327 2.613 20 0 BFADLP Cc1cc(-c2cccc(OCC[NH3+])c2)cc(C)[nH+]1 ZINC001244322191 985954889 /nfs/dbraw/zinc/95/48/89/985954889.db2.gz LYOPFUWRWCJFTO-UHFFFAOYSA-N 2 2 242.322 2.703 20 0 BFADLP CC[NH+](CC)c1ccc(-n2c[nH+]c(C)c2N)cc1 ZINC001212969119 986085899 /nfs/dbraw/zinc/08/58/99/986085899.db2.gz NSFYGCDIOIWXAF-UHFFFAOYSA-N 2 2 244.342 2.609 20 0 BFADLP CC[C@H](C[C@@H](C)CC)n1cc[nH+]c1CC[NH3+] ZINC001258781219 986178481 /nfs/dbraw/zinc/17/84/81/986178481.db2.gz VPBSRFCYVZNIMG-NWDGAFQWSA-N 2 2 223.364 2.772 20 0 BFADLP CC[C@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC001462478261 986399548 /nfs/dbraw/zinc/39/95/48/986399548.db2.gz TUMYBJRGKNEROR-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]1CCCC[C@@H]1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC001462478261 986399552 /nfs/dbraw/zinc/39/95/52/986399552.db2.gz TUMYBJRGKNEROR-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP CNc1cc(-c2cccc(C(C)(C)[NH3+])c2)cc[nH+]1 ZINC001244976286 986559466 /nfs/dbraw/zinc/55/94/66/986559466.db2.gz HSHBGQRZJMHCOH-UHFFFAOYSA-N 2 2 241.338 2.984 20 0 BFADLP CNc1cc(-c2ccc3c(c2)[C@@H]([NH3+])CC3)cc[nH+]1 ZINC001244977917 986569421 /nfs/dbraw/zinc/56/94/21/986569421.db2.gz MZKILVYPGURPHR-AWEZNQCLSA-N 2 2 239.322 2.736 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@@H+]1CCCC[C@H](F)C1 ZINC001255957694 987097675 /nfs/dbraw/zinc/09/76/75/987097675.db2.gz UTERDNIVEWMUNC-KGLIPLIRSA-N 2 2 244.398 2.931 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[N@H+]1CCCC[C@H](F)C1 ZINC001255957694 987097681 /nfs/dbraw/zinc/09/76/81/987097681.db2.gz UTERDNIVEWMUNC-KGLIPLIRSA-N 2 2 244.398 2.931 20 0 BFADLP Cc1cc(-c2ccc3c[nH+]cn3c2)c2[nH+]ccn2c1 ZINC001245897293 987120837 /nfs/dbraw/zinc/12/08/37/987120837.db2.gz XIQCCVZXXVAOMC-UHFFFAOYSA-N 2 2 248.289 2.957 20 0 BFADLP C/C(=C\C=C\[NH3+])c1ccc(C(C)(C)[NH3+])cc1 ZINC001245914924 987140672 /nfs/dbraw/zinc/14/06/72/987140672.db2.gz WQQIYXFHAJYKNE-ZVSIBQGLSA-N 2 2 216.328 2.756 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246073934 987364354 /nfs/dbraw/zinc/36/43/54/987364354.db2.gz BIARVJRHYGZHLV-GXTWGEPZSA-N 2 2 220.360 2.855 20 0 BFADLP CCC[C@H](CC)[NH2+][C@H](C[NH3+])c1ccccc1 ZINC001246076748 987367050 /nfs/dbraw/zinc/36/70/50/987367050.db2.gz PKLUIDNNBBIQGC-UONOGXRCSA-N 2 2 220.360 2.855 20 0 BFADLP CCCCC[C@H](CC)[NH2+][C@H]1CC[NH2+]C[C@H]1F ZINC001246088498 987390858 /nfs/dbraw/zinc/39/08/58/987390858.db2.gz UYPASPLKWHDRBE-XQQFMLRXSA-N 2 2 230.371 2.635 20 0 BFADLP CCCCC[C@@H](CC)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246106182 987435099 /nfs/dbraw/zinc/43/50/99/987435099.db2.gz FBWZQIYYLLUUBR-UPJWGTAASA-N 2 2 230.371 2.635 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccccc1 ZINC001246161830 987520395 /nfs/dbraw/zinc/52/03/95/987520395.db2.gz ASESSAVOVDYDDZ-BPLDGKMQSA-N 2 2 232.371 2.868 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC001246161827 987521013 /nfs/dbraw/zinc/52/10/13/987521013.db2.gz ASESSAVOVDYDDZ-AEGPPILISA-N 2 2 232.371 2.868 20 0 BFADLP CC[C@H]1CC[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246169225 987532804 /nfs/dbraw/zinc/53/28/04/987532804.db2.gz HQMCTRKOKWORPG-GOEBONIOSA-N 2 2 246.398 2.945 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246169232 987534842 /nfs/dbraw/zinc/53/48/42/987534842.db2.gz HQMCTRKOKWORPG-ZBFHGGJFSA-N 2 2 246.398 2.945 20 0 BFADLP CCC(CC)([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC001246185038 987560927 /nfs/dbraw/zinc/56/09/27/987560927.db2.gz RAXDEZCNTCFOML-AWEZNQCLSA-N 2 2 232.371 2.653 20 0 BFADLP CCC[C@@H](C)CC[C@@H](C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246204924 987600821 /nfs/dbraw/zinc/60/08/21/987600821.db2.gz IRJDWFLTCZUTGJ-YIYPIFLZSA-N 2 2 244.398 2.881 20 0 BFADLP CC[C@H](C)C[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001473895602 987608349 /nfs/dbraw/zinc/60/83/49/987608349.db2.gz PNOVZZNUTDAPQB-LBPRGKRZSA-N 2 2 235.375 2.646 20 0 BFADLP CCCCC[C@H](C)[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001246219586 987618130 /nfs/dbraw/zinc/61/81/30/987618130.db2.gz CFJJHEJKEYNDCY-KBPBESRZSA-N 2 2 226.408 2.935 20 0 BFADLP Cc1ccc(C(C)(C)[NH2+][C@H]2C[NH2+][C@@H](C)C2)cc1 ZINC001246240286 987640522 /nfs/dbraw/zinc/64/05/22/987640522.db2.gz QWGXQBZAABNMLG-GXTWGEPZSA-N 2 2 232.371 2.570 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[NH2+][C@@H](C)C1)c1cccc(C)c1 ZINC001246262612 987660301 /nfs/dbraw/zinc/66/03/01/987660301.db2.gz BPDOVUWHTNQCQP-AEGPPILISA-N 2 2 232.371 2.786 20 0 BFADLP c1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CCC2)cc1 ZINC001246284218 987678229 /nfs/dbraw/zinc/67/82/29/987678229.db2.gz CICLKNKSLWZZBT-HOTGVXAUSA-N 2 2 244.382 2.869 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC2)C[NH2+]1 ZINC001246309481 987706939 /nfs/dbraw/zinc/70/69/39/987706939.db2.gz CDBSXIMBRFSOKB-HIFRSBDPSA-N 2 2 244.382 2.796 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC2)C[NH2+]1 ZINC001246309482 987707845 /nfs/dbraw/zinc/70/78/45/987707845.db2.gz CDBSXIMBRFSOKB-UKRRQHHQSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1ccccc1C ZINC001246314749 987720688 /nfs/dbraw/zinc/72/06/88/987720688.db2.gz PUWKIIAOZJAPRB-GZBFAFLISA-N 2 2 232.371 2.786 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1C ZINC001246315841 987721351 /nfs/dbraw/zinc/72/13/51/987721351.db2.gz WHPDKUNUNWBTGF-UKRRQHHQSA-N 2 2 232.371 2.788 20 0 BFADLP c1ccc(C2([NH2+][C@@H]3CCCC[NH2+]C3)CCC2)cc1 ZINC001246314647 987721712 /nfs/dbraw/zinc/72/17/12/987721712.db2.gz YCSSCWIJIKUYRK-OAHLLOKOSA-N 2 2 244.382 2.798 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccncc1 ZINC001246322485 987729164 /nfs/dbraw/zinc/72/91/64/987729164.db2.gz BAHGUYHKZAPHQX-QEJZJMRPSA-N 2 2 247.386 2.653 20 0 BFADLP CCCCC[C@@H](CC)[NH2+]C[C@@H]1CSCC[NH2+]1 ZINC001246337986 987746978 /nfs/dbraw/zinc/74/69/78/987746978.db2.gz VYNPHFAELBUBHK-CHWSQXEVSA-N 2 2 244.448 2.640 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC001246388896 987780678 /nfs/dbraw/zinc/78/06/78/987780678.db2.gz NLFYERURCPXKNA-ZFWWWQNUSA-N 2 2 246.398 2.960 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1cccc(C)c1C ZINC001246477547 987835771 /nfs/dbraw/zinc/83/57/71/987835771.db2.gz ZHUSDZWXLIIWFQ-DZGCQCFKSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccccc32)C[NH2+]1 ZINC001246499395 987853934 /nfs/dbraw/zinc/85/39/34/987853934.db2.gz XXLDMMIDYKHMPN-INWMFGNUSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C[NH2+]1 ZINC001246499400 987854533 /nfs/dbraw/zinc/85/45/33/987854533.db2.gz XXLDMMIDYKHMPN-XPKDYRNWSA-N 2 2 244.382 2.794 20 0 BFADLP CC(C)[N@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246521371 987869174 /nfs/dbraw/zinc/86/91/74/987869174.db2.gz OZSPDIZXGJTCTR-HIFRSBDPSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246521371 987869177 /nfs/dbraw/zinc/86/91/77/987869177.db2.gz OZSPDIZXGJTCTR-HIFRSBDPSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[N@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246521376 987870085 /nfs/dbraw/zinc/87/00/85/987870085.db2.gz OZSPDIZXGJTCTR-ZFWWWQNUSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[N@@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246521376 987870088 /nfs/dbraw/zinc/87/00/88/987870088.db2.gz OZSPDIZXGJTCTR-ZFWWWQNUSA-N 2 2 232.371 2.647 20 0 BFADLP c1ccc2c(c1)C[N@@H+](C1CCCC1)[C@H]1C[NH2+]C[C@@H]21 ZINC001246616398 988258342 /nfs/dbraw/zinc/25/83/42/988258342.db2.gz BISGMDYYMKBUEQ-HOTGVXAUSA-N 2 2 242.366 2.500 20 0 BFADLP c1ccc2c(c1)C[N@H+](C1CCCC1)[C@H]1C[NH2+]C[C@@H]21 ZINC001246616398 988258369 /nfs/dbraw/zinc/25/83/69/988258369.db2.gz BISGMDYYMKBUEQ-HOTGVXAUSA-N 2 2 242.366 2.500 20 0 BFADLP CCCCCC[C@@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246660251 988389369 /nfs/dbraw/zinc/38/93/69/988389369.db2.gz BAIZNWJOOLTXQX-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCCC[C@@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246660251 988389377 /nfs/dbraw/zinc/38/93/77/988389377.db2.gz BAIZNWJOOLTXQX-MGPQQGTHSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246779862 988464415 /nfs/dbraw/zinc/46/44/15/988464415.db2.gz VFQIEOGVGCNPHS-ZFWWWQNUSA-N 2 2 232.371 2.649 20 0 BFADLP CCC[N@@H+](Cc1ccccc1)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246779862 988464421 /nfs/dbraw/zinc/46/44/21/988464421.db2.gz VFQIEOGVGCNPHS-ZFWWWQNUSA-N 2 2 232.371 2.649 20 0 BFADLP c1csc([C@@H]2CCC[N@@H+]2[C@H]2CCC[NH2+]C2)c1 ZINC001246786632 988467586 /nfs/dbraw/zinc/46/75/86/988467586.db2.gz MMSJPHLZLCZMQP-RYUDHWBXSA-N 2 2 236.384 2.637 20 0 BFADLP c1csc([C@@H]2CCC[N@H+]2[C@H]2CCC[NH2+]C2)c1 ZINC001246786632 988467594 /nfs/dbraw/zinc/46/75/94/988467594.db2.gz MMSJPHLZLCZMQP-RYUDHWBXSA-N 2 2 236.384 2.637 20 0 BFADLP C1[C@@H]2C[C@@H]([N@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C[C@H]12 ZINC001246978090 988809455 /nfs/dbraw/zinc/80/94/55/988809455.db2.gz JNAXDPRQJHDHEX-XRGAULLZSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2C[C@@H]([N@@H+]([C@H]3CC[NH2+]C3)C3CCCCC3)C[C@H]12 ZINC001246978090 988809460 /nfs/dbraw/zinc/80/94/60/988809460.db2.gz JNAXDPRQJHDHEX-XRGAULLZSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1cc(C[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC001248800773 989144302 /nfs/dbraw/zinc/14/43/02/989144302.db2.gz KEWGRPZYFKDNPB-UHFFFAOYSA-N 2 2 238.400 2.583 20 0 BFADLP Cc1cc(C[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC001248800773 989144309 /nfs/dbraw/zinc/14/43/09/989144309.db2.gz KEWGRPZYFKDNPB-UHFFFAOYSA-N 2 2 238.400 2.583 20 0 BFADLP C[NH2+][C@@H](C)CC[NH2+]Cc1ccc(F)cc1Cl ZINC001325627664 989218929 /nfs/dbraw/zinc/21/89/29/989218929.db2.gz VEXCQNRMDYUNEO-VIFPVBQESA-N 2 2 244.741 2.567 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308292678 990961658 /nfs/dbraw/zinc/96/16/58/990961658.db2.gz LJMFRAHDGQNBDW-KBXIAJHMSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308292678 990961665 /nfs/dbraw/zinc/96/16/65/990961665.db2.gz LJMFRAHDGQNBDW-KBXIAJHMSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1[nH+]cn(C2CCCCCCC2)c1CC[NH3+] ZINC001258232843 991169219 /nfs/dbraw/zinc/16/92/19/991169219.db2.gz KVNIBXWZEXEJED-UHFFFAOYSA-N 2 2 235.375 2.978 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC001308970670 991242996 /nfs/dbraw/zinc/24/29/96/991242996.db2.gz MWFYPTUKSRKCLY-ZNMIVQPWSA-N 2 2 240.435 2.987 20 0 BFADLP CCCCC[C@@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC001258429461 991351842 /nfs/dbraw/zinc/35/18/42/991351842.db2.gz XMSNRJMSQIQSCK-QWHCGFSZSA-N 2 2 214.397 2.885 20 0 BFADLP CCCCC[C@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC001258429462 991352625 /nfs/dbraw/zinc/35/26/25/991352625.db2.gz XMSNRJMSQIQSCK-STQMWFEESA-N 2 2 214.397 2.885 20 0 BFADLP CCCCC[C@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC001258429789 991360662 /nfs/dbraw/zinc/36/06/62/991360662.db2.gz CVBLQLZBAVLZDU-ZDUSSCGKSA-N 2 2 223.364 2.832 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001560325480 991452626 /nfs/dbraw/zinc/45/26/26/991452626.db2.gz LCILEIJBXRYCTH-FICVDOATSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001560325480 991452631 /nfs/dbraw/zinc/45/26/31/991452631.db2.gz LCILEIJBXRYCTH-FICVDOATSA-N 2 2 238.419 2.887 20 0 BFADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+]1CC[C@H]1C ZINC001140020710 991489127 /nfs/dbraw/zinc/48/91/27/991489127.db2.gz ANJFQDBKOGENTH-GFCCVEGCSA-N 2 2 241.338 2.775 20 0 BFADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+]1CC[C@H]1C ZINC001140020710 991489128 /nfs/dbraw/zinc/48/91/28/991489128.db2.gz ANJFQDBKOGENTH-GFCCVEGCSA-N 2 2 241.338 2.775 20 0 BFADLP C[C@H](Cc1ccsc1)[N@H+](C)CCn1cc[nH+]c1 ZINC000162146535 991517622 /nfs/dbraw/zinc/51/76/22/991517622.db2.gz PJRMKFWANTZTHI-GFCCVEGCSA-N 2 2 249.383 2.508 20 0 BFADLP C[C@H](Cc1ccsc1)[N@@H+](C)CCn1cc[nH+]c1 ZINC000162146535 991517633 /nfs/dbraw/zinc/51/76/33/991517633.db2.gz PJRMKFWANTZTHI-GFCCVEGCSA-N 2 2 249.383 2.508 20 0 BFADLP CC[N@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258606354 991519575 /nfs/dbraw/zinc/51/95/75/991519575.db2.gz VWYNXXBVJUDQCX-AWEZNQCLSA-N 2 2 238.419 2.981 20 0 BFADLP CC[N@@H+]([C@H]1CCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC001258606354 991519584 /nfs/dbraw/zinc/51/95/84/991519584.db2.gz VWYNXXBVJUDQCX-AWEZNQCLSA-N 2 2 238.419 2.981 20 0 BFADLP CCC[C@@H](Cc1ccccc1)[NH2+]CC1C[NH+](C)C1 ZINC001258652528 991585849 /nfs/dbraw/zinc/58/58/49/991585849.db2.gz XTRNUTBLBIWCBM-INIZCTEOSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H]1C[C@H](n2cc[nH+]c2CC[NH3+])CC(C)(C)C1 ZINC001258686818 991618111 /nfs/dbraw/zinc/61/81/11/991618111.db2.gz KLQCBDITJQJCEG-NEPJUHHUSA-N 2 2 235.375 2.772 20 0 BFADLP Cc1cc(C)cc(CC[NH2+]C(C)(C)C[NH+](C)C)c1 ZINC001560872531 991632988 /nfs/dbraw/zinc/63/29/88/991632988.db2.gz MQZLYUGTRDNILL-UHFFFAOYSA-N 2 2 248.414 2.776 20 0 BFADLP CCC[NH+]1CCC([N@@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001258772320 991739555 /nfs/dbraw/zinc/73/95/55/991739555.db2.gz NKMFQLJLEZMCGX-CQSZACIVSA-N 2 2 242.382 2.685 20 0 BFADLP CCC[NH+]1CCC([N@H+]2CCC[C@@](C)(F)C2)CC1 ZINC001258772320 991739562 /nfs/dbraw/zinc/73/95/62/991739562.db2.gz NKMFQLJLEZMCGX-CQSZACIVSA-N 2 2 242.382 2.685 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1 ZINC001575854352 993115055 /nfs/dbraw/zinc/11/50/55/993115055.db2.gz LRHJVXSFSLDWRL-PMPSAXMXSA-N 2 2 244.382 2.793 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000381615786 993410758 /nfs/dbraw/zinc/41/07/58/993410758.db2.gz QFDHRMHNOMOCQR-ZFWWWQNUSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000381615786 993410764 /nfs/dbraw/zinc/41/07/64/993410764.db2.gz QFDHRMHNOMOCQR-ZFWWWQNUSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1[nH]c(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)c(C)[nH+]1 ZINC000724792859 994073976 /nfs/dbraw/zinc/07/39/76/994073976.db2.gz HCWBSTUTVLKZTF-GBIKHYSHSA-N 2 2 235.375 2.941 20 0 BFADLP C(=C/C1CC1)\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001334402942 994592106 /nfs/dbraw/zinc/59/21/06/994592106.db2.gz MZUJPICVZCZNBF-UJOCRUBTSA-N 2 2 234.387 2.559 20 0 BFADLP C(=C/C1CC1)\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC001334402942 994592116 /nfs/dbraw/zinc/59/21/16/994592116.db2.gz MZUJPICVZCZNBF-UJOCRUBTSA-N 2 2 234.387 2.559 20 0 BFADLP CC(C)[N@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000161561423 349473160 /nfs/dbraw/zinc/47/31/60/349473160.db2.gz PHVQUQFYSIBYCQ-UHFFFAOYSA-N 2 2 221.348 2.536 20 0 BFADLP CC(C)[N@@H+](CCn1cc[nH+]c1)C1CCCC1 ZINC000161561423 349473163 /nfs/dbraw/zinc/47/31/63/349473163.db2.gz PHVQUQFYSIBYCQ-UHFFFAOYSA-N 2 2 221.348 2.536 20 0 BFADLP C(C1CCCC1)[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188582 349501737 /nfs/dbraw/zinc/50/17/37/349501737.db2.gz WJVGFYYSERLWHF-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP C(C1CCCC1)[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063188582 349501738 /nfs/dbraw/zinc/50/17/38/349501738.db2.gz WJVGFYYSERLWHF-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)ccc1F ZINC000050545499 178029672 /nfs/dbraw/zinc/02/96/72/178029672.db2.gz LAOVGKYHISKMFJ-LBPRGKRZSA-N 2 2 247.317 2.509 20 0 BFADLP C[N@H+](Cc1ccc(Cl)cc1)[C@@H](C[NH3+])C1CC1 ZINC000042437706 398172018 /nfs/dbraw/zinc/17/20/18/398172018.db2.gz AVNRZPOTFNAJRP-ZDUSSCGKSA-N 2 2 238.762 2.509 20 0 BFADLP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H](C[NH3+])C1CC1 ZINC000042437706 398172023 /nfs/dbraw/zinc/17/20/23/398172023.db2.gz AVNRZPOTFNAJRP-ZDUSSCGKSA-N 2 2 238.762 2.509 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cs1 ZINC000335550936 178034176 /nfs/dbraw/zinc/03/41/76/178034176.db2.gz QVYSJYSRTXKBKL-ZWNOBZJWSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cs1 ZINC000335550936 178034177 /nfs/dbraw/zinc/03/41/77/178034177.db2.gz QVYSJYSRTXKBKL-ZWNOBZJWSA-N 2 2 238.400 2.629 20 0 BFADLP CC[C@H](C)C[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000421378719 192323226 /nfs/dbraw/zinc/32/32/26/192323226.db2.gz KLZVQWJEDWIULY-NSHDSACASA-N 2 2 231.343 2.778 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423233206 398165227 /nfs/dbraw/zinc/16/52/27/398165227.db2.gz JNHINEGRMYALHX-DVOMOZLQSA-N 2 2 244.382 2.967 20 0 BFADLP Cc1cc(NCCCNc2cccc[nH+]2)cc[nH+]1 ZINC000274716976 178159447 /nfs/dbraw/zinc/15/94/47/178159447.db2.gz ZWBAKHFUHQMGDP-UHFFFAOYSA-N 2 2 242.326 2.699 20 0 BFADLP Cc1cc([C@H](C)[NH2+]CCCn2cc[nH+]c2)c(C)o1 ZINC000020506066 178246472 /nfs/dbraw/zinc/24/64/72/178246472.db2.gz XQUZLIJDZAAIIR-LBPRGKRZSA-N 2 2 247.342 2.834 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2C)cs1 ZINC000294208932 178250673 /nfs/dbraw/zinc/25/06/73/178250673.db2.gz MKXBCCZXYZUPQD-WCQYABFASA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cs1 ZINC000294208932 178250677 /nfs/dbraw/zinc/25/06/77/178250677.db2.gz MKXBCCZXYZUPQD-WCQYABFASA-N 2 2 238.400 2.801 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cs1 ZINC000294300488 178254481 /nfs/dbraw/zinc/25/44/81/178254481.db2.gz UYLUXUHDKKNLQQ-JQWIXIFHSA-N 2 2 249.383 2.992 20 0 BFADLP CC[N@H+](CC[NH2+][C@H](C)CC1CCC1)C1CC1 ZINC000167197380 538940688 /nfs/dbraw/zinc/94/06/88/538940688.db2.gz GSUAFUIRAXXAHM-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H](C)CC1CCC1)C1CC1 ZINC000167197380 538940689 /nfs/dbraw/zinc/94/06/89/538940689.db2.gz GSUAFUIRAXXAHM-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H]1CC[NH2+]C1 ZINC000094080449 178292587 /nfs/dbraw/zinc/29/25/87/178292587.db2.gz ZCMJYHBOOBBGGN-DGCLKSJQSA-N 2 2 248.370 2.553 20 0 BFADLP C[N@H+](Cc1cscc1Cl)CC(C)(C)C[NH3+] ZINC000381484011 398253525 /nfs/dbraw/zinc/25/35/25/398253525.db2.gz UMVIQUIFKJJPRM-UHFFFAOYSA-N 2 2 246.807 2.818 20 0 BFADLP C[N@@H+](Cc1cscc1Cl)CC(C)(C)C[NH3+] ZINC000381484011 398253530 /nfs/dbraw/zinc/25/35/30/398253530.db2.gz UMVIQUIFKJJPRM-UHFFFAOYSA-N 2 2 246.807 2.818 20 0 BFADLP CCCC(CCC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000165268188 361838373 /nfs/dbraw/zinc/83/83/73/361838373.db2.gz UYXQHIDKOHBNML-ZDUSSCGKSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC(CCC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000165268188 361838380 /nfs/dbraw/zinc/83/83/80/361838380.db2.gz UYXQHIDKOHBNML-ZDUSSCGKSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166886014 361857486 /nfs/dbraw/zinc/85/74/86/361857486.db2.gz ZJKDBMOOLISFPO-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](CC)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166886014 361857488 /nfs/dbraw/zinc/85/74/88/361857488.db2.gz ZJKDBMOOLISFPO-STQMWFEESA-N 2 2 212.381 2.639 20 0 BFADLP Cc1[nH+]cc(-c2ccc(C[NH+](C)C)c(F)c2)n1C ZINC000630050917 361914479 /nfs/dbraw/zinc/91/44/79/361914479.db2.gz LBWBARWHNKDUCS-UHFFFAOYSA-N 2 2 247.317 2.596 20 0 BFADLP Cc1cc(-c2[nH+]ccn2C)ccc1[C@H]1CCC[NH2+]1 ZINC000630051544 361916967 /nfs/dbraw/zinc/91/69/67/361916967.db2.gz DAUVWMNPWHVYMI-CQSZACIVSA-N 2 2 241.338 2.820 20 0 BFADLP C[C@@H]1C[C@@H](c2ccc(-c3[nH+]ccn3C)cc2)C[NH2+]1 ZINC000630053272 361923898 /nfs/dbraw/zinc/92/38/98/361923898.db2.gz RGSKJTGRZLYSSX-BXUZGUMPSA-N 2 2 241.338 2.553 20 0 BFADLP CC/C=C\CC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000381574112 539004216 /nfs/dbraw/zinc/00/42/16/539004216.db2.gz YYODIBZLOIFICT-GXMNPTEKSA-N 2 2 224.392 2.805 20 0 BFADLP CC/C=C\CC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000381574112 539004217 /nfs/dbraw/zinc/00/42/17/539004217.db2.gz YYODIBZLOIFICT-GXMNPTEKSA-N 2 2 224.392 2.805 20 0 BFADLP C[C@@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000381219121 538996736 /nfs/dbraw/zinc/99/67/36/538996736.db2.gz IMESXJFKYZJJIH-STQMWFEESA-N 2 2 226.408 2.600 20 0 BFADLP C[C@@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000381219121 538996737 /nfs/dbraw/zinc/99/67/37/538996737.db2.gz IMESXJFKYZJJIH-STQMWFEESA-N 2 2 226.408 2.600 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(C)C ZINC000289330226 398310839 /nfs/dbraw/zinc/31/08/39/398310839.db2.gz UUJPGBLGLGPIEA-UHFFFAOYSA-N 2 2 220.360 2.958 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000020125739 342970583 /nfs/dbraw/zinc/97/05/83/342970583.db2.gz CFIOQNRRNAXEDW-CQSZACIVSA-N 2 2 248.414 2.938 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1sccc1C ZINC000019959759 342964948 /nfs/dbraw/zinc/96/49/48/342964948.db2.gz NJKKGJSAYIVGCA-LBPRGKRZSA-N 2 2 238.400 2.630 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1sccc1C ZINC000019959759 342964950 /nfs/dbraw/zinc/96/49/50/342964950.db2.gz NJKKGJSAYIVGCA-LBPRGKRZSA-N 2 2 238.400 2.630 20 0 BFADLP CCc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000400383984 529656663 /nfs/dbraw/zinc/65/66/63/529656663.db2.gz XRHVALRKMFTSFB-MFKMUULPSA-N 2 2 238.400 2.541 20 0 BFADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000251102229 343124019 /nfs/dbraw/zinc/12/40/19/343124019.db2.gz RNMQEHRVYYTTPZ-OLZOCXBDSA-N 2 2 238.762 2.824 20 0 BFADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000251102229 343124020 /nfs/dbraw/zinc/12/40/20/343124020.db2.gz RNMQEHRVYYTTPZ-OLZOCXBDSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H](C[NH2+]C1CCCC1)[N@@H+]1CCCC[C@H]1C ZINC000049938009 136271723 /nfs/dbraw/zinc/27/17/23/136271723.db2.gz GUDMXSDFWLSECT-OLZOCXBDSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H](C[NH2+]C1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000049938009 136271724 /nfs/dbraw/zinc/27/17/24/136271724.db2.gz GUDMXSDFWLSECT-OLZOCXBDSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000130151069 343180298 /nfs/dbraw/zinc/18/02/98/343180298.db2.gz PLDQBGSWICENQC-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034937349 343281589 /nfs/dbraw/zinc/28/15/89/343281589.db2.gz NOYWQGBCSBYMPP-MRXNPFEDSA-N 2 2 246.398 2.897 20 0 BFADLP CC(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034937349 343281590 /nfs/dbraw/zinc/28/15/90/343281590.db2.gz NOYWQGBCSBYMPP-MRXNPFEDSA-N 2 2 246.398 2.897 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c(C)c1 ZINC000035274933 343291876 /nfs/dbraw/zinc/29/18/76/343291876.db2.gz XGBHBGFHCTVDBE-AWEZNQCLSA-N 2 2 243.354 2.678 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000035805028 343304522 /nfs/dbraw/zinc/30/45/22/343304522.db2.gz ODZIMJLCSOJDAI-VGZDNEPHSA-N 2 2 244.382 2.774 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC000035805028 343304524 /nfs/dbraw/zinc/30/45/24/343304524.db2.gz ODZIMJLCSOJDAI-VGZDNEPHSA-N 2 2 244.382 2.774 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCc2ccccc21)[NH+](C)C ZINC000038088034 343369555 /nfs/dbraw/zinc/36/95/55/343369555.db2.gz DNUGOBLYMVUESO-DOMZBBRYSA-N 2 2 232.371 2.604 20 0 BFADLP C[C@H](CCc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000038088765 343370337 /nfs/dbraw/zinc/37/03/37/343370337.db2.gz RDWKIUPOISFKIP-KGLIPLIRSA-N 2 2 234.387 2.547 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)c1cccs1 ZINC000037157795 343337263 /nfs/dbraw/zinc/33/72/63/343337263.db2.gz DOHLSZGCNITSFT-MNOVXSKESA-N 2 2 235.356 2.684 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)c1cccc(F)c1 ZINC000037158342 343337331 /nfs/dbraw/zinc/33/73/31/343337331.db2.gz XMHFUNZDCNVFBI-VXGBXAGGSA-N 2 2 247.317 2.762 20 0 BFADLP C[NH+]1CCC([NH2+]Cc2cc3ccccc3o2)CC1 ZINC000037248695 343340918 /nfs/dbraw/zinc/34/09/18/343340918.db2.gz CELJPYYKRRKXCD-UHFFFAOYSA-N 2 2 244.338 2.617 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1C[C@@H]1CC=CCC1 ZINC000349033468 136320287 /nfs/dbraw/zinc/32/02/87/136320287.db2.gz MXAAVRSTNFZTJY-OAGGEKHMSA-N 2 2 248.414 2.901 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1C[C@@H]1CC=CCC1 ZINC000349033468 136320288 /nfs/dbraw/zinc/32/02/88/136320288.db2.gz MXAAVRSTNFZTJY-OAGGEKHMSA-N 2 2 248.414 2.901 20 0 BFADLP C[C@H]1CCC[C@H](C[N@@H+]2CC[NH+]3CCC2CC3)C1 ZINC000349336953 136342125 /nfs/dbraw/zinc/34/21/25/136342125.db2.gz YNNWRNPJVHBSPM-KBPBESRZSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@H]1CCC[C@H](C[N@H+]2CC[NH+]3CCC2CC3)C1 ZINC000349336953 136342126 /nfs/dbraw/zinc/34/21/26/136342126.db2.gz YNNWRNPJVHBSPM-KBPBESRZSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@H]1CC([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C[C@H](C)C1 ZINC000353248719 136363739 /nfs/dbraw/zinc/36/37/39/136363739.db2.gz LRUPIYQPTFUWNK-UTUOFQBUSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H]1CC([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C[C@H](C)C1 ZINC000353248719 136363740 /nfs/dbraw/zinc/36/37/40/136363740.db2.gz LRUPIYQPTFUWNK-UTUOFQBUSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccccc1F ZINC000049553126 343602101 /nfs/dbraw/zinc/60/21/01/343602101.db2.gz CQSOBJJYRZWGHT-VXGBXAGGSA-N 2 2 238.350 2.817 20 0 BFADLP CC(C)[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000577037252 365780143 /nfs/dbraw/zinc/78/01/43/365780143.db2.gz MFPNBVCDGHDNAJ-ZFWWWQNUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000577037252 365780150 /nfs/dbraw/zinc/78/01/50/365780150.db2.gz MFPNBVCDGHDNAJ-ZFWWWQNUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)(CC[N@@H+]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000625434061 343735159 /nfs/dbraw/zinc/73/51/59/343735159.db2.gz BSKOEZRIKRJGHQ-UHFFFAOYSA-N 2 2 233.359 2.594 20 0 BFADLP CC(C)(CC[N@H+]1CCc2[nH+]c[nH]c2C1)C1CC1 ZINC000625434061 343735161 /nfs/dbraw/zinc/73/51/61/343735161.db2.gz BSKOEZRIKRJGHQ-UHFFFAOYSA-N 2 2 233.359 2.594 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCC1=CCCCC1)C2 ZINC000625434616 343735880 /nfs/dbraw/zinc/73/58/80/343735880.db2.gz CROWSIHGHUNXCY-UHFFFAOYSA-N 2 2 231.343 2.658 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@H+](CCC1=CCCCC1)C2 ZINC000625434616 343735881 /nfs/dbraw/zinc/73/58/81/343735881.db2.gz CROWSIHGHUNXCY-UHFFFAOYSA-N 2 2 231.343 2.658 20 0 BFADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625434989 343735889 /nfs/dbraw/zinc/73/58/89/343735889.db2.gz CINWOROCYGLPJN-VXGBXAGGSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@@H]1CCC[C@@H](C[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625434989 343735890 /nfs/dbraw/zinc/73/58/90/343735890.db2.gz CINWOROCYGLPJN-VXGBXAGGSA-N 2 2 233.359 2.594 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@@H+](CCC1CCCCC1)C2 ZINC000625435203 343736704 /nfs/dbraw/zinc/73/67/04/343736704.db2.gz CIKPOJSNTCFHJS-UHFFFAOYSA-N 2 2 233.359 2.738 20 0 BFADLP c1[nH]c2c([nH+]1)CC[N@H+](CCC1CCCCC1)C2 ZINC000625435203 343736706 /nfs/dbraw/zinc/73/67/06/343736706.db2.gz CIKPOJSNTCFHJS-UHFFFAOYSA-N 2 2 233.359 2.738 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357783 537838730 /nfs/dbraw/zinc/83/87/30/537838730.db2.gz CWTPJHDCOWFUNC-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC000094357783 537838741 /nfs/dbraw/zinc/83/87/41/537838741.db2.gz CWTPJHDCOWFUNC-HNNXBMFYSA-N 2 2 244.382 2.748 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCC[C@H]1C ZINC000126173423 344170692 /nfs/dbraw/zinc/17/06/92/344170692.db2.gz HVGUBFPXKPRPLC-RISCZKNCSA-N 2 2 218.344 2.711 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348111180 537840754 /nfs/dbraw/zinc/84/07/54/537840754.db2.gz NWKICGCRZXKYFW-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348111180 537840763 /nfs/dbraw/zinc/84/07/63/537840763.db2.gz NWKICGCRZXKYFW-ILXRZTDVSA-N 2 2 236.403 2.639 20 0 BFADLP C/C=C/C[NH2+]Cc1c[nH+]c(C)n1-c1ccccc1 ZINC000385068951 344314040 /nfs/dbraw/zinc/31/40/40/344314040.db2.gz VOKOSASNZISOFS-ONEGZZNKSA-N 2 2 241.338 2.846 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCn1cc[nH+]c1 ZINC000131719500 344324726 /nfs/dbraw/zinc/32/47/26/344324726.db2.gz BVHCHKQULQMKEE-MCIONIFRSA-N 2 2 233.359 2.536 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCn1cc[nH+]c1 ZINC000131719500 344324727 /nfs/dbraw/zinc/32/47/27/344324727.db2.gz BVHCHKQULQMKEE-MCIONIFRSA-N 2 2 233.359 2.536 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1(C)CCC1 ZINC000336776201 537848037 /nfs/dbraw/zinc/84/80/37/537848037.db2.gz FBWXURSLWRJYCY-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]CC1(C)CCC1 ZINC000336776201 537848044 /nfs/dbraw/zinc/84/80/44/537848044.db2.gz FBWXURSLWRJYCY-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H]([NH3+])C1 ZINC000050227692 344744093 /nfs/dbraw/zinc/74/40/93/344744093.db2.gz RNMQEHRVYYTTPZ-STQMWFEESA-N 2 2 238.762 2.824 20 0 BFADLP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H]([NH3+])C1 ZINC000050227692 344744095 /nfs/dbraw/zinc/74/40/95/344744095.db2.gz RNMQEHRVYYTTPZ-STQMWFEESA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1(C)CC1 ZINC000152806807 344700037 /nfs/dbraw/zinc/70/00/37/344700037.db2.gz CRLHLHJTMHZWPW-GFCCVEGCSA-N 2 2 247.386 2.540 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC000394563527 323081069 /nfs/dbraw/zinc/08/10/69/323081069.db2.gz HFCQUKFBDKRCEE-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](CCC2CCCCCC2)C1 ZINC000394563527 323081070 /nfs/dbraw/zinc/08/10/70/323081070.db2.gz HFCQUKFBDKRCEE-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000153895135 344994760 /nfs/dbraw/zinc/99/47/60/344994760.db2.gz GSDRFHBCVVYRHE-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000153895135 344994761 /nfs/dbraw/zinc/99/47/61/344994761.db2.gz GSDRFHBCVVYRHE-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000153895135 344994762 /nfs/dbraw/zinc/99/47/62/344994762.db2.gz GSDRFHBCVVYRHE-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000153895135 344994763 /nfs/dbraw/zinc/99/47/63/344994763.db2.gz GSDRFHBCVVYRHE-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000123900473 345020877 /nfs/dbraw/zinc/02/08/77/345020877.db2.gz CDKQLBZSMAJSPO-TZMCWYRMSA-N 2 2 248.370 2.731 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCc2occc21 ZINC000123900473 345020881 /nfs/dbraw/zinc/02/08/81/345020881.db2.gz CDKQLBZSMAJSPO-TZMCWYRMSA-N 2 2 248.370 2.731 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000155977015 345115493 /nfs/dbraw/zinc/11/54/93/345115493.db2.gz SMKYOEKYVWCOKB-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000155977015 345115496 /nfs/dbraw/zinc/11/54/96/345115496.db2.gz SMKYOEKYVWCOKB-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C1CC1 ZINC000155981320 345115614 /nfs/dbraw/zinc/11/56/14/345115614.db2.gz LXQBERTVIKQGKG-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[N@H+]1CCC[C@H](C)C1)C1CC1 ZINC000155981320 345115615 /nfs/dbraw/zinc/11/56/15/345115615.db2.gz LXQBERTVIKQGKG-GZBFAFLISA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000155977126 345115635 /nfs/dbraw/zinc/11/56/35/345115635.db2.gz SMKYOEKYVWCOKB-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000155977126 345115636 /nfs/dbraw/zinc/11/56/36/345115636.db2.gz SMKYOEKYVWCOKB-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@]1(C)CCC[N@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993333 345189351 /nfs/dbraw/zinc/18/93/51/345189351.db2.gz QXMMGBKSANJFAR-SLTAFYQDSA-N 2 2 236.403 2.641 20 0 BFADLP CCC[C@@]1(C)CCC[N@@H+](CC23CC(C2)C[NH2+]3)C1 ZINC000634993333 345189354 /nfs/dbraw/zinc/18/93/54/345189354.db2.gz QXMMGBKSANJFAR-SLTAFYQDSA-N 2 2 236.403 2.641 20 0 BFADLP CCC[C@H](C)[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993394 345190337 /nfs/dbraw/zinc/19/03/37/345190337.db2.gz SYMOLPINEHCIIH-FGZQJIAISA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H](C)[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993394 345190339 /nfs/dbraw/zinc/19/03/39/345190339.db2.gz SYMOLPINEHCIIH-FGZQJIAISA-N 2 2 236.403 2.639 20 0 BFADLP C([N@@H+]1CCC[C@H]1C1CCCCC1)C12CC(C1)C[NH2+]2 ZINC000634991958 345178957 /nfs/dbraw/zinc/17/89/57/345178957.db2.gz XROLOPBQTMNVSK-SIWZUTFBSA-N 2 2 248.414 2.783 20 0 BFADLP C([N@H+]1CCC[C@H]1C1CCCCC1)C12CC(C1)C[NH2+]2 ZINC000634991958 345178961 /nfs/dbraw/zinc/17/89/61/345178961.db2.gz XROLOPBQTMNVSK-SIWZUTFBSA-N 2 2 248.414 2.783 20 0 BFADLP CC(C)(C)C[C@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992372 345180411 /nfs/dbraw/zinc/18/04/11/345180411.db2.gz MQTSBEUFVMRTRS-JVWICGRDSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)(C)C[C@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634992372 345180414 /nfs/dbraw/zinc/18/04/14/345180414.db2.gz MQTSBEUFVMRTRS-JVWICGRDSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000368216356 345227854 /nfs/dbraw/zinc/22/78/54/345227854.db2.gz ROKPZSKFQAVRCM-KGLIPLIRSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@@H]1CCC[C@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000368216356 345227856 /nfs/dbraw/zinc/22/78/56/345227856.db2.gz ROKPZSKFQAVRCM-KGLIPLIRSA-N 2 2 247.386 2.915 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)o1 ZINC000020129038 178838995 /nfs/dbraw/zinc/83/89/95/178838995.db2.gz CSFOSYXEKMNQKT-CYBMUJFWSA-N 2 2 236.359 2.725 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC[N@H+](C)C2)C1 ZINC000235389589 537891019 /nfs/dbraw/zinc/89/10/19/537891019.db2.gz BAFVLBIWZRQYKX-AEGPPILISA-N 2 2 236.403 2.663 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H]2CCC[N@@H+](C)C2)C1 ZINC000235389589 537891025 /nfs/dbraw/zinc/89/10/25/537891025.db2.gz BAFVLBIWZRQYKX-AEGPPILISA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961701 345455378 /nfs/dbraw/zinc/45/53/78/345455378.db2.gz NEFOYXHRNUCGEO-GFCCVEGCSA-N 2 2 221.348 2.635 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961701 345455380 /nfs/dbraw/zinc/45/53/80/345455380.db2.gz NEFOYXHRNUCGEO-GFCCVEGCSA-N 2 2 221.348 2.635 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(C)c1 ZINC000235530582 178889519 /nfs/dbraw/zinc/88/95/19/178889519.db2.gz HCOKUUAWLSGFGE-KBPBESRZSA-N 2 2 232.371 2.706 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070654151 345795842 /nfs/dbraw/zinc/79/58/42/345795842.db2.gz HGPPYHOAXILDFV-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000070654151 345795843 /nfs/dbraw/zinc/79/58/43/345795843.db2.gz HGPPYHOAXILDFV-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+]C[C@@H](C)[NH+](C)C)cc1 ZINC000628233821 346192589 /nfs/dbraw/zinc/19/25/89/346192589.db2.gz WWMMWTOVHSQRQP-ZIAGYGMSSA-N 2 2 234.387 2.638 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000531691902 323111606 /nfs/dbraw/zinc/11/16/06/323111606.db2.gz YYUJSNDDATTZSP-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP Cc1ccc(CCC[NH2+]C(C)(C)C(F)F)c[nH+]1 ZINC000684414665 488309342 /nfs/dbraw/zinc/30/93/42/488309342.db2.gz NERDPZKYZJAKQL-UHFFFAOYSA-N 2 2 242.313 2.956 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000641746751 362672968 /nfs/dbraw/zinc/67/29/68/362672968.db2.gz APPDKEGIZVVVJG-MGPQQGTHSA-N 2 2 247.386 2.756 20 0 BFADLP Cc1cccc(NCC[NH+](C(C)C)C(C)C)[nH+]1 ZINC000037670505 179145135 /nfs/dbraw/zinc/14/51/35/179145135.db2.gz FMDNHMGDDMCJGB-UHFFFAOYSA-N 2 2 235.375 2.921 20 0 BFADLP Cc1cccc(NCC[N@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000157097259 179145646 /nfs/dbraw/zinc/14/56/46/179145646.db2.gz AXCIMOYKTNJWIH-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1cccc(NCC[N@@H+]2CCCC[C@@H]2C)[nH+]1 ZINC000157097259 179145648 /nfs/dbraw/zinc/14/56/48/179145648.db2.gz AXCIMOYKTNJWIH-ZDUSSCGKSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1cccc(N[C@H](C)C[N@H+](C)C(C)C)[nH+]1 ZINC000290638544 179155816 /nfs/dbraw/zinc/15/58/16/179155816.db2.gz HRPBBXUASMVOLA-GFCCVEGCSA-N 2 2 221.348 2.531 20 0 BFADLP Cc1cccc(N[C@H](C)C[N@@H+](C)C(C)C)[nH+]1 ZINC000290638544 179155819 /nfs/dbraw/zinc/15/58/19/179155819.db2.gz HRPBBXUASMVOLA-GFCCVEGCSA-N 2 2 221.348 2.531 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C(C)C ZINC000367436636 347157345 /nfs/dbraw/zinc/15/73/45/347157345.db2.gz GRTMSVOMMQVELS-CYBMUJFWSA-N 2 2 235.375 2.744 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]CC[NH+](C)C)c1C ZINC000271779981 179194369 /nfs/dbraw/zinc/19/43/69/179194369.db2.gz LJDPTJMTJQRVLN-ZDUSSCGKSA-N 2 2 220.360 2.516 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)c1C ZINC000358372595 179197687 /nfs/dbraw/zinc/19/76/87/179197687.db2.gz BZIVDIDZVRNMOT-INWMFGNUSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)c1C ZINC000358372595 179197688 /nfs/dbraw/zinc/19/76/88/179197688.db2.gz BZIVDIDZVRNMOT-INWMFGNUSA-N 2 2 246.398 2.904 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)CC(C)C ZINC000301010053 347327462 /nfs/dbraw/zinc/32/74/62/347327462.db2.gz YPNSCQYLZIBOSB-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)CC(C)C ZINC000301010053 347327468 /nfs/dbraw/zinc/32/74/68/347327468.db2.gz YPNSCQYLZIBOSB-KGLIPLIRSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272612765 179275798 /nfs/dbraw/zinc/27/57/98/179275798.db2.gz KQJNZKMWRWWKII-HOCLYGCPSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000272612765 179275800 /nfs/dbraw/zinc/27/58/00/179275800.db2.gz KQJNZKMWRWWKII-HOCLYGCPSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272612765 179275802 /nfs/dbraw/zinc/27/58/02/179275802.db2.gz KQJNZKMWRWWKII-HOCLYGCPSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000272612765 179275804 /nfs/dbraw/zinc/27/58/04/179275804.db2.gz KQJNZKMWRWWKII-HOCLYGCPSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000020506210 179321208 /nfs/dbraw/zinc/32/12/08/179321208.db2.gz SBUGWNBFMVDVRA-CQSZACIVSA-N 2 2 243.354 2.932 20 0 BFADLP Cc1ccoc1C[N@@H+](C)CCc1cc[nH+]cc1C ZINC000577367691 365935115 /nfs/dbraw/zinc/93/51/15/365935115.db2.gz DINKLDHWFPTQLV-UHFFFAOYSA-N 2 2 244.338 2.966 20 0 BFADLP Cc1ccccc1[C@@H]([NH2+]CC[NH3+])c1ccccc1 ZINC000093248812 179325953 /nfs/dbraw/zinc/32/59/53/179325953.db2.gz PSHZPXBXZOYJOK-INIZCTEOSA-N 2 2 240.350 2.633 20 0 BFADLP Cc1ccccc1[C@H](C)[N@H+](C)CCn1cc[nH+]c1 ZINC000270848873 179335011 /nfs/dbraw/zinc/33/50/11/179335011.db2.gz PJFCUMQYQDFKFU-AWEZNQCLSA-N 2 2 243.354 2.885 20 0 BFADLP Cc1ccccc1[C@H](C)[N@@H+](C)CCn1cc[nH+]c1 ZINC000270848873 179335012 /nfs/dbraw/zinc/33/50/12/179335012.db2.gz PJFCUMQYQDFKFU-AWEZNQCLSA-N 2 2 243.354 2.885 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000041064038 179337950 /nfs/dbraw/zinc/33/79/50/179337950.db2.gz IQNFDWMPRUHXHX-ZDUSSCGKSA-N 2 2 229.327 2.542 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000374596292 187388331 /nfs/dbraw/zinc/38/83/31/187388331.db2.gz WSHOXPGFTWMQLK-XNISGKROSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000374596292 187388333 /nfs/dbraw/zinc/38/83/33/187388333.db2.gz WSHOXPGFTWMQLK-XNISGKROSA-N 2 2 248.414 2.782 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@@H](C)C1(C)CC1)[NH+](C)C ZINC000037468511 187392430 /nfs/dbraw/zinc/39/24/30/187392430.db2.gz JCOBPZKACOUHAK-STQMWFEESA-N 2 2 226.408 2.741 20 0 BFADLP Nc1cc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000216335168 349994915 /nfs/dbraw/zinc/99/49/15/349994915.db2.gz CTUBTFOQMVKOIB-UONOGXRCSA-N 2 2 245.370 2.818 20 0 BFADLP Nc1cc(C[N@H+]2CCC[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000216335168 349994919 /nfs/dbraw/zinc/99/49/19/349994919.db2.gz CTUBTFOQMVKOIB-UONOGXRCSA-N 2 2 245.370 2.818 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251666732 349189285 /nfs/dbraw/zinc/18/92/85/349189285.db2.gz CEPUJKUTXYPVTL-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000251666732 349189287 /nfs/dbraw/zinc/18/92/87/349189287.db2.gz CEPUJKUTXYPVTL-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000120548443 168601239 /nfs/dbraw/zinc/60/12/39/168601239.db2.gz DHCPQKFPDWBJCJ-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CCCC1(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000120548443 168601240 /nfs/dbraw/zinc/60/12/40/168601240.db2.gz DHCPQKFPDWBJCJ-CHWSQXEVSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000348104016 535097104 /nfs/dbraw/zinc/09/71/04/535097104.db2.gz NIVRTQVMOXHKIY-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131434419 191014888 /nfs/dbraw/zinc/01/48/88/191014888.db2.gz HRRBIUODOVYZQV-CYBMUJFWSA-N 2 2 221.348 2.538 20 0 BFADLP CC[C@@H]1CCCCC[N@H+]1CCn1cc[nH+]c1 ZINC000131434419 191014891 /nfs/dbraw/zinc/01/48/91/191014891.db2.gz HRRBIUODOVYZQV-CYBMUJFWSA-N 2 2 221.348 2.538 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC2(C)C)C[N@@H+]1C1CC1 ZINC000132500526 191032844 /nfs/dbraw/zinc/03/28/44/191032844.db2.gz UYMNPJZIUDGXMZ-MBNYWOFBSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC2(C)C)C[N@H+]1C1CC1 ZINC000132500526 191032846 /nfs/dbraw/zinc/03/28/46/191032846.db2.gz UYMNPJZIUDGXMZ-MBNYWOFBSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000132357263 191030075 /nfs/dbraw/zinc/03/00/75/191030075.db2.gz KLDJABFMENNPOR-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CCC(CC)(CC)[NH2+]CCCn1cc[nH+]c1 ZINC000083388152 350192329 /nfs/dbraw/zinc/19/23/29/350192329.db2.gz OASPSUMUIOFVGF-UHFFFAOYSA-N 2 2 223.364 2.832 20 0 BFADLP Cc1nc(NCC[NH2+]C2CCCCCC2)cc[nH+]1 ZINC000130128915 180198947 /nfs/dbraw/zinc/19/89/47/180198947.db2.gz OFEGQYAEDQKEOK-UHFFFAOYSA-N 2 2 248.374 2.509 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000336322554 180250863 /nfs/dbraw/zinc/25/08/63/180250863.db2.gz DBKICVXGPBEDGF-ZIAGYGMSSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000336322554 180250865 /nfs/dbraw/zinc/25/08/65/180250865.db2.gz DBKICVXGPBEDGF-ZIAGYGMSSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000336322553 180251768 /nfs/dbraw/zinc/25/17/68/180251768.db2.gz DBKICVXGPBEDGF-UONOGXRCSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000336322553 180251769 /nfs/dbraw/zinc/25/17/69/180251769.db2.gz DBKICVXGPBEDGF-UONOGXRCSA-N 2 2 247.386 2.702 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1cc(Cl)cc(Cl)c1 ZINC000231818715 490412674 /nfs/dbraw/zinc/41/26/74/490412674.db2.gz MJMYYBUOOGNLEA-UHFFFAOYSA-N 2 2 247.169 2.774 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1cc(Cl)cc(Cl)c1 ZINC000231818715 490412676 /nfs/dbraw/zinc/41/26/76/490412676.db2.gz MJMYYBUOOGNLEA-UHFFFAOYSA-N 2 2 247.169 2.774 20 0 BFADLP CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427870893 191098564 /nfs/dbraw/zinc/09/85/64/191098564.db2.gz ZDQCZERBGCGQCM-MGPQQGTHSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@H]1C ZINC000427877798 191098581 /nfs/dbraw/zinc/09/85/81/191098581.db2.gz OZYDFYBNEIHQSN-RFGFWPKPSA-N 2 2 247.386 2.612 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+]CCCC1CCCCC1 ZINC000162760916 350418258 /nfs/dbraw/zinc/41/82/58/350418258.db2.gz VEWVJMQWUINMDY-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H](CCCC(F)(F)F)[NH2+]CCn1cc[nH+]c1 ZINC000163386864 350517697 /nfs/dbraw/zinc/51/76/97/350517697.db2.gz MTAQTEBHRVHXCC-SNVBAGLBSA-N 2 2 249.280 2.594 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000070558520 350537714 /nfs/dbraw/zinc/53/77/14/350537714.db2.gz NLRHRLBVMCTFBY-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000070558520 350537716 /nfs/dbraw/zinc/53/77/16/350537716.db2.gz NLRHRLBVMCTFBY-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC000228030036 350525264 /nfs/dbraw/zinc/52/52/64/350525264.db2.gz NKQHKZAVWKAWJG-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC000228030036 350525268 /nfs/dbraw/zinc/52/52/68/350525268.db2.gz NKQHKZAVWKAWJG-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@H](C)CCC(C)C ZINC000019919649 350852776 /nfs/dbraw/zinc/85/27/76/350852776.db2.gz VXCNYNJJIADKOL-CYBMUJFWSA-N 2 2 214.397 2.743 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1ccccc1 ZINC000247977214 350853452 /nfs/dbraw/zinc/85/34/52/350853452.db2.gz GBXLPQNVFDJRGJ-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](C)c1ccccc1 ZINC000247977214 350853454 /nfs/dbraw/zinc/85/34/54/350853454.db2.gz GBXLPQNVFDJRGJ-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP c1[nH+]c2n(c1C[NH2+][C@@H]1CC13CCCCC3)CCC2 ZINC000623568943 362996568 /nfs/dbraw/zinc/99/65/68/362996568.db2.gz PCHKGBWETRXONU-CYBMUJFWSA-N 2 2 245.370 2.642 20 0 BFADLP CCC(C)(C)[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000133046638 351278186 /nfs/dbraw/zinc/27/81/86/351278186.db2.gz OBLRIGOCSFLPJX-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP CCC(C)(C)[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000133046638 351278187 /nfs/dbraw/zinc/27/81/87/351278187.db2.gz OBLRIGOCSFLPJX-CYBMUJFWSA-N 2 2 235.375 2.784 20 0 BFADLP CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000034937351 351351248 /nfs/dbraw/zinc/35/12/48/351351248.db2.gz URWYTVLGZNQVEV-OAHLLOKOSA-N 2 2 232.371 2.651 20 0 BFADLP CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000034937351 351351249 /nfs/dbraw/zinc/35/12/49/351351249.db2.gz URWYTVLGZNQVEV-OAHLLOKOSA-N 2 2 232.371 2.651 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000036932208 535166702 /nfs/dbraw/zinc/16/67/02/535166702.db2.gz FDCUKOKFVOQQDY-CYBMUJFWSA-N 2 2 247.386 2.685 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000284364186 351995944 /nfs/dbraw/zinc/99/59/44/351995944.db2.gz NWUHVMZZUHBZCT-GFCCVEGCSA-N 2 2 233.359 2.662 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000164454138 352772111 /nfs/dbraw/zinc/77/21/11/352772111.db2.gz CUGBGPPSJBUVMD-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000164454138 352772115 /nfs/dbraw/zinc/77/21/15/352772115.db2.gz CUGBGPPSJBUVMD-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP C1=CC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000334201299 352794862 /nfs/dbraw/zinc/79/48/62/352794862.db2.gz OVZLDWUUJIYESA-HZPDHXFCSA-N 2 2 248.414 2.903 20 0 BFADLP C1=CC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000334201299 352794864 /nfs/dbraw/zinc/79/48/64/352794864.db2.gz OVZLDWUUJIYESA-HZPDHXFCSA-N 2 2 248.414 2.903 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]CC[NH+](C)C)c(C)c1 ZINC000022145044 188109474 /nfs/dbraw/zinc/10/94/74/188109474.db2.gz RWBZEMKCUWTUDJ-ZDUSSCGKSA-N 2 2 220.360 2.516 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000038029028 188116552 /nfs/dbraw/zinc/11/65/52/188116552.db2.gz WVLQXVKJRKTEGY-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCCC2(C)C)CCC1 ZINC000165175782 353189530 /nfs/dbraw/zinc/18/95/30/353189530.db2.gz ZUZSVXDQYDSJQM-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1C1CC1 ZINC000309681328 188169761 /nfs/dbraw/zinc/16/97/61/188169761.db2.gz NHSXXXFLDDWSDN-GXTWGEPZSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1C1CC1 ZINC000309681328 188169762 /nfs/dbraw/zinc/16/97/62/188169762.db2.gz NHSXXXFLDDWSDN-GXTWGEPZSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271730212 188199157 /nfs/dbraw/zinc/19/91/57/188199157.db2.gz MYFIBDDEFPGONQ-LBPRGKRZSA-N 2 2 231.343 2.811 20 0 BFADLP CC(C)[C@H](C)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000271730212 188199158 /nfs/dbraw/zinc/19/91/58/188199158.db2.gz MYFIBDDEFPGONQ-LBPRGKRZSA-N 2 2 231.343 2.811 20 0 BFADLP CCC[C@H](CC)[NH2+]CC[N@H+](CC)C1CC1 ZINC000125419349 188190480 /nfs/dbraw/zinc/19/04/80/188190480.db2.gz TWTHHTDYBLFDKV-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@H](CC)[NH2+]CC[N@@H+](CC)C1CC1 ZINC000125419349 188190482 /nfs/dbraw/zinc/19/04/82/188190482.db2.gz TWTHHTDYBLFDKV-LBPRGKRZSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CC1)[N@@H+]1CCCC[C@H]1C ZINC000165257328 353268915 /nfs/dbraw/zinc/26/89/15/353268915.db2.gz URXRNZAQWUJQEF-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C1CC1)[N@H+]1CCCC[C@H]1C ZINC000165257328 353268917 /nfs/dbraw/zinc/26/89/17/353268917.db2.gz URXRNZAQWUJQEF-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000334538997 353926750 /nfs/dbraw/zinc/92/67/50/353926750.db2.gz CJBLDCCQVNCSKU-OLZOCXBDSA-N 2 2 235.375 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C)CCC[C@@H]1C ZINC000334538997 353926752 /nfs/dbraw/zinc/92/67/52/353926752.db2.gz CJBLDCCQVNCSKU-OLZOCXBDSA-N 2 2 235.375 2.702 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCCC12CCCCC2 ZINC000334553723 353996810 /nfs/dbraw/zinc/99/68/10/353996810.db2.gz BVYGASSBXZVMBY-UHFFFAOYSA-N 2 2 247.386 2.761 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCCC12CCCCC2 ZINC000334553723 353996814 /nfs/dbraw/zinc/99/68/14/353996814.db2.gz BVYGASSBXZVMBY-UHFFFAOYSA-N 2 2 247.386 2.761 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC000343741435 353970569 /nfs/dbraw/zinc/97/05/69/353970569.db2.gz ZMLQPRNKQPRKKY-ARILJUKYSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC000343741435 353970572 /nfs/dbraw/zinc/97/05/72/353970572.db2.gz ZMLQPRNKQPRKKY-ARILJUKYSA-N 2 2 238.419 2.883 20 0 BFADLP CCn1c[nH+]cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000334598072 354232782 /nfs/dbraw/zinc/23/27/82/354232782.db2.gz UPDOALJTTYBOBQ-GXTWGEPZSA-N 2 2 233.359 2.668 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)o1 ZINC000334685299 354431613 /nfs/dbraw/zinc/43/16/13/354431613.db2.gz LMYYQXAGCFPUST-GHMZBOCLSA-N 2 2 245.326 2.519 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)o1 ZINC000334685299 354431615 /nfs/dbraw/zinc/43/16/15/354431615.db2.gz LMYYQXAGCFPUST-GHMZBOCLSA-N 2 2 245.326 2.519 20 0 BFADLP CC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000623634573 366202323 /nfs/dbraw/zinc/20/23/23/366202323.db2.gz LVYNJPVQSUSXCS-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000623634573 366202327 /nfs/dbraw/zinc/20/23/27/366202327.db2.gz LVYNJPVQSUSXCS-GOEBONIOSA-N 2 2 246.398 2.864 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000623634423 366194327 /nfs/dbraw/zinc/19/43/27/366194327.db2.gz AENKFERSZWWYII-SYCZXOQXSA-N 2 2 244.382 2.774 20 0 BFADLP C/C(=C/c1ccccc1)C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000623634423 366194332 /nfs/dbraw/zinc/19/43/32/366194332.db2.gz AENKFERSZWWYII-SYCZXOQXSA-N 2 2 244.382 2.774 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000334760829 354580738 /nfs/dbraw/zinc/58/07/38/354580738.db2.gz PGIZYYHESZKOFG-WCQYABFASA-N 2 2 241.338 2.618 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000334760829 354580742 /nfs/dbraw/zinc/58/07/42/354580742.db2.gz PGIZYYHESZKOFG-WCQYABFASA-N 2 2 241.338 2.618 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccccc1 ZINC000334760830 354580805 /nfs/dbraw/zinc/58/08/05/354580805.db2.gz PGIZYYHESZKOFG-YPMHNXCESA-N 2 2 241.338 2.618 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1ccccc1 ZINC000334760830 354580809 /nfs/dbraw/zinc/58/08/09/354580809.db2.gz PGIZYYHESZKOFG-YPMHNXCESA-N 2 2 241.338 2.618 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000334796311 354549956 /nfs/dbraw/zinc/54/99/56/354549956.db2.gz ZPOJGORFQWLCNR-HIFRSBDPSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC000334796311 354549961 /nfs/dbraw/zinc/54/99/61/354549961.db2.gz ZPOJGORFQWLCNR-HIFRSBDPSA-N 2 2 247.386 2.617 20 0 BFADLP CCCCC[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000346312286 354893319 /nfs/dbraw/zinc/89/33/19/354893319.db2.gz OXVJVQAOVAVOHY-CQSZACIVSA-N 2 2 235.375 2.928 20 0 BFADLP CCCCC[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000346312286 354893323 /nfs/dbraw/zinc/89/33/23/354893323.db2.gz OXVJVQAOVAVOHY-CQSZACIVSA-N 2 2 235.375 2.928 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@H]2C)C[C@@H](C)C1 ZINC000346336654 354900156 /nfs/dbraw/zinc/90/01/56/354900156.db2.gz SJYZRDTZNJPMJQ-ZQNQSHIBSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@H]2C)C[C@@H](C)C1 ZINC000346336654 354900161 /nfs/dbraw/zinc/90/01/61/354900161.db2.gz SJYZRDTZNJPMJQ-ZQNQSHIBSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]Cc1cc2ccccc2o1 ZINC000335174440 354941915 /nfs/dbraw/zinc/94/19/15/354941915.db2.gz SBWHVJCRZLFRPQ-RISCZKNCSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000346449172 354944335 /nfs/dbraw/zinc/94/43/35/354944335.db2.gz UQXHCAXHDDEIGA-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCC(C)(C)C2)C1 ZINC000346449172 354944337 /nfs/dbraw/zinc/94/43/37/354944337.db2.gz UQXHCAXHDDEIGA-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)CCC2CC2)CC1 ZINC000346531412 354978567 /nfs/dbraw/zinc/97/85/67/354978567.db2.gz LYSBOGZOJRSLIF-AWEZNQCLSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)CCC2CC2)CC1 ZINC000346531412 354978572 /nfs/dbraw/zinc/97/85/72/354978572.db2.gz LYSBOGZOJRSLIF-AWEZNQCLSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)[C@@H](C)C1 ZINC000346797869 355107652 /nfs/dbraw/zinc/10/76/52/355107652.db2.gz LSPFGGTUAUUTLM-CAEXGNQWSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)[C@@H](C)C1 ZINC000346797869 355107655 /nfs/dbraw/zinc/10/76/55/355107655.db2.gz LSPFGGTUAUUTLM-CAEXGNQWSA-N 2 2 238.419 2.883 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000346794915 355107706 /nfs/dbraw/zinc/10/77/06/355107706.db2.gz MJYPZDDSHZTSFY-YIYPIFLZSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2[C@H](C)CCC[C@H]2C)C1 ZINC000346794915 355107709 /nfs/dbraw/zinc/10/77/09/355107709.db2.gz MJYPZDDSHZTSFY-YIYPIFLZSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346807105 355110438 /nfs/dbraw/zinc/11/04/38/355110438.db2.gz LRYHRKCEIOYACI-KCQAQPDRSA-N 2 2 247.386 2.523 20 0 BFADLP Cc1ccncc1[C@H](C)[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346807105 355110442 /nfs/dbraw/zinc/11/04/42/355110442.db2.gz LRYHRKCEIOYACI-KCQAQPDRSA-N 2 2 247.386 2.523 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccccc32)CCC[N@@H+]1C ZINC000346784428 355115582 /nfs/dbraw/zinc/11/55/82/355115582.db2.gz BHWDKFRAYMGVLB-KCXAZCMYSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3ccccc32)CCC[N@H+]1C ZINC000346784428 355115584 /nfs/dbraw/zinc/11/55/84/355115584.db2.gz BHWDKFRAYMGVLB-KCXAZCMYSA-N 2 2 244.382 2.746 20 0 BFADLP CC(C)([NH3+])C[N@H+](CC1CC1)C1CCCCC1 ZINC000346846148 355135450 /nfs/dbraw/zinc/13/54/50/355135450.db2.gz NGWCQQNWJCIDPS-UHFFFAOYSA-N 2 2 224.392 2.768 20 0 BFADLP CC(C)([NH3+])C[N@@H+](CC1CC1)C1CCCCC1 ZINC000346846148 355135454 /nfs/dbraw/zinc/13/54/54/355135454.db2.gz NGWCQQNWJCIDPS-UHFFFAOYSA-N 2 2 224.392 2.768 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1cc(F)cc(F)c1 ZINC000414812252 191578931 /nfs/dbraw/zinc/57/89/31/191578931.db2.gz KNTCHFCRCFTVOO-ZDUSSCGKSA-N 2 2 242.313 2.572 20 0 BFADLP [NH3+][C@H](C[NH2+][C@H]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000414842824 191597111 /nfs/dbraw/zinc/59/71/11/191597111.db2.gz ZPIHDPPMCMPEMN-OAGGEKHMSA-N 2 2 244.382 2.855 20 0 BFADLP C([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639302247 355647081 /nfs/dbraw/zinc/64/70/81/355647081.db2.gz KVBQISOEVVZTGI-QRJUGERDSA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639302247 355647082 /nfs/dbraw/zinc/64/70/82/355647082.db2.gz KVBQISOEVVZTGI-QRJUGERDSA-N 2 2 248.414 2.639 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166673137 355747219 /nfs/dbraw/zinc/74/72/19/355747219.db2.gz QBNIDXFXWFWTPA-JTQLQIEISA-N 2 2 240.313 2.649 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H](C)CCCC(F)(F)F ZINC000166673137 355747220 /nfs/dbraw/zinc/74/72/20/355747220.db2.gz QBNIDXFXWFWTPA-JTQLQIEISA-N 2 2 240.313 2.649 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000389141071 355730572 /nfs/dbraw/zinc/73/05/72/355730572.db2.gz HCMALUUITQOLLE-HNNXBMFYSA-N 2 2 246.398 2.796 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000389141071 355730574 /nfs/dbraw/zinc/73/05/74/355730574.db2.gz HCMALUUITQOLLE-HNNXBMFYSA-N 2 2 246.398 2.796 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166877437 355861184 /nfs/dbraw/zinc/86/11/84/355861184.db2.gz XMDFKVWXRPPNOA-UONOGXRCSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166877437 355861186 /nfs/dbraw/zinc/86/11/86/355861186.db2.gz XMDFKVWXRPPNOA-UONOGXRCSA-N 2 2 224.392 2.805 20 0 BFADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccoc1 ZINC000532204872 355879638 /nfs/dbraw/zinc/87/96/38/355879638.db2.gz UGUHQQLWMIVVLF-GFCCVEGCSA-N 2 2 248.370 2.947 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCC1(C)C)[N@H+](C)C1CC1 ZINC000167363416 355985368 /nfs/dbraw/zinc/98/53/68/355985368.db2.gz ULPYCIXYJFBMTN-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCC1(C)C)[N@@H+](C)C1CC1 ZINC000167363416 355985372 /nfs/dbraw/zinc/98/53/72/355985372.db2.gz ULPYCIXYJFBMTN-AAEUAGOBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCC1(C)C)[N@H+](C)C1CC1 ZINC000167363199 355985940 /nfs/dbraw/zinc/98/59/40/355985940.db2.gz ULPYCIXYJFBMTN-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCC1(C)C)[N@@H+](C)C1CC1 ZINC000167363199 355985941 /nfs/dbraw/zinc/98/59/41/355985941.db2.gz ULPYCIXYJFBMTN-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP CCCCC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351471139 355995809 /nfs/dbraw/zinc/99/58/09/355995809.db2.gz HVTIXRWQZVNXMC-CQSZACIVSA-N 2 2 234.343 2.725 20 0 BFADLP CCCCC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000351471139 355995813 /nfs/dbraw/zinc/99/58/13/355995813.db2.gz HVTIXRWQZVNXMC-CQSZACIVSA-N 2 2 234.343 2.725 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1([NH+](C)C)CC1 ZINC000418116579 191978970 /nfs/dbraw/zinc/97/89/70/191978970.db2.gz QZCKHGPHWOKQPK-ZIAGYGMSSA-N 2 2 236.403 2.663 20 0 BFADLP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@H](C)[NH3+] ZINC000420295837 192204235 /nfs/dbraw/zinc/20/42/35/192204235.db2.gz AXTYUPISBBTEAU-JTQLQIEISA-N 2 2 226.751 2.509 20 0 BFADLP CC[N@H+](Cc1ccc(Cl)cc1)C[C@H](C)[NH3+] ZINC000420295837 192204237 /nfs/dbraw/zinc/20/42/37/192204237.db2.gz AXTYUPISBBTEAU-JTQLQIEISA-N 2 2 226.751 2.509 20 0 BFADLP C[C@@](C[NH3+])([NH2+]Cc1sccc1Cl)C1CC1 ZINC000420292432 192203458 /nfs/dbraw/zinc/20/34/58/192203458.db2.gz PJZJKBUCOMTEBB-NSHDSACASA-N 2 2 244.791 2.619 20 0 BFADLP CCCC[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000352416409 356342620 /nfs/dbraw/zinc/34/26/20/356342620.db2.gz UAWCOBCNWUYHNR-ZDUSSCGKSA-N 2 2 223.364 2.784 20 0 BFADLP CCCC[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000352416409 356342625 /nfs/dbraw/zinc/34/26/25/356342625.db2.gz UAWCOBCNWUYHNR-ZDUSSCGKSA-N 2 2 223.364 2.784 20 0 BFADLP CC1(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)CCC1 ZINC000336137441 134096317 /nfs/dbraw/zinc/09/63/17/134096317.db2.gz XHFOEECGCMLWSJ-UHFFFAOYSA-N 2 2 233.359 2.779 20 0 BFADLP c1ccc([N@H+](CC[C@H]2CC[NH2+]C2)CC2CC2)cc1 ZINC000420301065 192207617 /nfs/dbraw/zinc/20/76/17/192207617.db2.gz KZUSBONYNKPTPV-CQSZACIVSA-N 2 2 244.382 2.903 20 0 BFADLP c1ccc([N@@H+](CC[C@H]2CC[NH2+]C2)CC2CC2)cc1 ZINC000420301065 192207620 /nfs/dbraw/zinc/20/76/20/192207620.db2.gz KZUSBONYNKPTPV-CQSZACIVSA-N 2 2 244.382 2.903 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000037320278 356355715 /nfs/dbraw/zinc/35/57/15/356355715.db2.gz VUINRHYKGYIISM-ZIAGYGMSSA-N 2 2 243.354 2.931 20 0 BFADLP CCCC[N@@H+](Cc1ccccc1F)C[C@H](C)[NH3+] ZINC000420313173 192210557 /nfs/dbraw/zinc/21/05/57/192210557.db2.gz XQPFZDDKQDDZSC-LBPRGKRZSA-N 2 2 238.350 2.775 20 0 BFADLP CCCC[N@H+](Cc1ccccc1F)C[C@H](C)[NH3+] ZINC000420313173 192210559 /nfs/dbraw/zinc/21/05/59/192210559.db2.gz XQPFZDDKQDDZSC-LBPRGKRZSA-N 2 2 238.350 2.775 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+]Cc1cccc(F)c1F ZINC000580408905 358502072 /nfs/dbraw/zinc/50/20/72/358502072.db2.gz HNRGHLKJEASPRA-LLVKDONJSA-N 2 2 242.313 2.572 20 0 BFADLP CCc1cccc(C[NH2+][C@@H]2[C@H](C)CC[NH2+][C@H]2C)c1 ZINC000420365451 192224009 /nfs/dbraw/zinc/22/40/09/192224009.db2.gz LDUZTWRGIIOGDO-DVOMOZLQSA-N 2 2 246.398 2.725 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(Cl)cc1Cl ZINC000420380464 192234261 /nfs/dbraw/zinc/23/42/61/192234261.db2.gz WTQCLAJMYJAXOK-HTQZYQBOSA-N 2 2 247.169 2.991 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000420398872 192237862 /nfs/dbraw/zinc/23/78/62/192237862.db2.gz HDPBRBNUFUKOKJ-SFYZADRCSA-N 2 2 247.169 2.991 20 0 BFADLP CCC1(CC)CCC[N@H+](C[C@@H](C)[NH3+])CC1 ZINC000420376628 192231219 /nfs/dbraw/zinc/23/12/19/192231219.db2.gz QVRLHFFXCQPVAL-GFCCVEGCSA-N 2 2 212.381 2.626 20 0 BFADLP CCC1(CC)CCC[N@@H+](C[C@@H](C)[NH3+])CC1 ZINC000420376628 192231221 /nfs/dbraw/zinc/23/12/21/192231221.db2.gz QVRLHFFXCQPVAL-GFCCVEGCSA-N 2 2 212.381 2.626 20 0 BFADLP Cc1cc(C)c(C[N@H+]2CC=CCC2)c(C)[nH+]1 ZINC000639571752 356496455 /nfs/dbraw/zinc/49/64/55/356496455.db2.gz LHNRYLQMRYSUST-UHFFFAOYSA-N 2 2 216.328 2.769 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2CC=CCC2)c(C)[nH+]1 ZINC000639571752 356496458 /nfs/dbraw/zinc/49/64/58/356496458.db2.gz LHNRYLQMRYSUST-UHFFFAOYSA-N 2 2 216.328 2.769 20 0 BFADLP CCc1cccc(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000582246300 356675747 /nfs/dbraw/zinc/67/57/47/356675747.db2.gz UFDSDEZUPNMTCC-UHFFFAOYSA-N 2 2 243.354 2.625 20 0 BFADLP CCC[C@@H](C)[NH2+][C@@H](C)C[NH+]1CCC(C)CC1 ZINC000582252835 356687317 /nfs/dbraw/zinc/68/73/17/356687317.db2.gz TVZSEEHVQTWBTJ-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)C[C@H]1C ZINC000450428080 202161881 /nfs/dbraw/zinc/16/18/81/202161881.db2.gz GUJXCPFCLFTFRS-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1C[C@H](C)C[C@H]1C ZINC000450428080 202161885 /nfs/dbraw/zinc/16/18/85/202161885.db2.gz GUJXCPFCLFTFRS-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000450428080 202161889 /nfs/dbraw/zinc/16/18/89/202161889.db2.gz GUJXCPFCLFTFRS-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1C[C@H](C)C[C@H]1C ZINC000450428080 202161892 /nfs/dbraw/zinc/16/18/92/202161892.db2.gz GUJXCPFCLFTFRS-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CCc1ccc(C[N@@H+]2CCCC[C@@H]2C[NH3+])s1 ZINC000019843329 356901645 /nfs/dbraw/zinc/90/16/45/356901645.db2.gz NCCPRVSLBISCTC-LLVKDONJSA-N 2 2 238.400 2.624 20 0 BFADLP CCc1ccc(C[N@H+]2CCCC[C@@H]2C[NH3+])s1 ZINC000019843329 356901647 /nfs/dbraw/zinc/90/16/47/356901647.db2.gz NCCPRVSLBISCTC-LLVKDONJSA-N 2 2 238.400 2.624 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368101204 356966023 /nfs/dbraw/zinc/96/60/23/356966023.db2.gz JWIPZXAEEOOIPA-RYUDHWBXSA-N 2 2 235.375 2.681 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368101204 356966027 /nfs/dbraw/zinc/96/60/27/356966027.db2.gz JWIPZXAEEOOIPA-RYUDHWBXSA-N 2 2 235.375 2.681 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000019959721 356995443 /nfs/dbraw/zinc/99/54/43/356995443.db2.gz HMOSTUZAKAXZSW-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000019959721 356995444 /nfs/dbraw/zinc/99/54/44/356995444.db2.gz HMOSTUZAKAXZSW-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccn1 ZINC000423266417 192661310 /nfs/dbraw/zinc/66/13/10/192661310.db2.gz RYPMYXKUFKJQTQ-DOMZBBRYSA-N 2 2 247.386 2.640 20 0 BFADLP CC1(C)CCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375316849 357177289 /nfs/dbraw/zinc/17/72/89/357177289.db2.gz FECKWZBFJZVBLI-ZDUSSCGKSA-N 2 2 247.386 2.888 20 0 BFADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1F ZINC000423279413 192672191 /nfs/dbraw/zinc/67/21/91/192672191.db2.gz SKAIFPFLTBMOJI-VXGBXAGGSA-N 2 2 238.350 2.850 20 0 BFADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccoc1 ZINC000582958518 357438433 /nfs/dbraw/zinc/43/84/33/357438433.db2.gz RPVZKKGGUWLOED-FZMZJTMJSA-N 2 2 236.359 2.838 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2ccc(F)cc21)[C@@H]1CCC[NH2+]1 ZINC000583198343 357516987 /nfs/dbraw/zinc/51/69/87/357516987.db2.gz YKYUNFGFNZOLPW-ONERCXAPSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)[N@H+](C)C1CC1 ZINC000230394588 357533169 /nfs/dbraw/zinc/53/31/69/357533169.db2.gz UABLXLRQWPSIGD-OSFYFWSMSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)[N@@H+](C)C1CC1 ZINC000230394588 357533172 /nfs/dbraw/zinc/53/31/72/357533172.db2.gz UABLXLRQWPSIGD-OSFYFWSMSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2)C1 ZINC000230993119 357587404 /nfs/dbraw/zinc/58/74/04/357587404.db2.gz YMODSANKGRGYDQ-KBPBESRZSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)[N@H+](C)C1CC1 ZINC000189113894 357615808 /nfs/dbraw/zinc/61/58/08/357615808.db2.gz DRGGZMHQQAZERE-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC12CCCC2)[N@@H+](C)C1CC1 ZINC000189113894 357615812 /nfs/dbraw/zinc/61/58/12/357615812.db2.gz DRGGZMHQQAZERE-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)C[NH+](C)C)C1 ZINC000235109375 357846243 /nfs/dbraw/zinc/84/62/43/357846243.db2.gz BKFCHWMNOXGUGZ-UBHSHLNASA-N 2 2 224.392 2.519 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000235301922 357863976 /nfs/dbraw/zinc/86/39/76/357863976.db2.gz LLSXUKGMMJAPDS-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2ccc(F)cc21)[C@H]1CCC[NH2+]1 ZINC000583806560 357955066 /nfs/dbraw/zinc/95/50/66/357955066.db2.gz YKYUNFGFNZOLPW-COLVAYQJSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000218765871 134259886 /nfs/dbraw/zinc/25/98/86/134259886.db2.gz NRUCPXGMVHELQQ-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166886127 358573090 /nfs/dbraw/zinc/57/30/90/358573090.db2.gz ZJKDBMOOLISFPO-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166886127 358573120 /nfs/dbraw/zinc/57/31/20/358573120.db2.gz ZJKDBMOOLISFPO-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000130167204 358611406 /nfs/dbraw/zinc/61/14/06/358611406.db2.gz UKGCIJPAOZGRHU-AGIUHOORSA-N 2 2 226.408 2.741 20 0 BFADLP CCCC1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000130291990 358616810 /nfs/dbraw/zinc/61/68/10/358616810.db2.gz KKEGKHQRVZWFBZ-HSBZDZAISA-N 2 2 226.408 2.885 20 0 BFADLP c1cn(CC[N@@H+]2CCCC3(CCCCC3)C2)c[nH+]1 ZINC000131294692 358668260 /nfs/dbraw/zinc/66/82/60/358668260.db2.gz MIYZYSBDCFRECS-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP c1cn(CC[N@H+]2CCCC3(CCCCC3)C2)c[nH+]1 ZINC000131294692 358668262 /nfs/dbraw/zinc/66/82/62/358668262.db2.gz MIYZYSBDCFRECS-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H](Cc1ccccc1)[NH+](C)C ZINC000132868993 358737788 /nfs/dbraw/zinc/73/77/88/358737788.db2.gz LXEFFKVYZMBCEE-GDBMZVCRSA-N 2 2 248.414 2.793 20 0 BFADLP CCCC[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000050889912 358738726 /nfs/dbraw/zinc/73/87/26/358738726.db2.gz PRHMRNKLMROSKI-GXTWGEPZSA-N 2 2 220.360 2.855 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000132520253 491136494 /nfs/dbraw/zinc/13/64/94/491136494.db2.gz QHIAHHXEFOQQEQ-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000132520253 491136495 /nfs/dbraw/zinc/13/64/95/491136495.db2.gz QHIAHHXEFOQQEQ-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000053345097 358825200 /nfs/dbraw/zinc/82/52/00/358825200.db2.gz PPBFXOAJTUWGMM-CQSZACIVSA-N 2 2 234.387 2.897 20 0 BFADLP CCC[C@@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000053345097 358825202 /nfs/dbraw/zinc/82/52/02/358825202.db2.gz PPBFXOAJTUWGMM-CQSZACIVSA-N 2 2 234.387 2.897 20 0 BFADLP CCC[C@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000053345098 358825395 /nfs/dbraw/zinc/82/53/95/358825395.db2.gz PPBFXOAJTUWGMM-AWEZNQCLSA-N 2 2 234.387 2.897 20 0 BFADLP CCC[C@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000053345098 358825397 /nfs/dbraw/zinc/82/53/97/358825397.db2.gz PPBFXOAJTUWGMM-AWEZNQCLSA-N 2 2 234.387 2.897 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000054080984 358850663 /nfs/dbraw/zinc/85/06/63/358850663.db2.gz XTEXEUITGOHLCO-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000054080984 358850667 /nfs/dbraw/zinc/85/06/67/358850667.db2.gz XTEXEUITGOHLCO-GXTWGEPZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000054109742 358853589 /nfs/dbraw/zinc/85/35/89/358853589.db2.gz PCAKJRWBZURFJL-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000054109742 358853591 /nfs/dbraw/zinc/85/35/91/358853591.db2.gz PCAKJRWBZURFJL-STQMWFEESA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[NH2+]Cc1cccc(-c2[nH+]ccn2C)c1 ZINC000069473147 359029887 /nfs/dbraw/zinc/02/98/87/359029887.db2.gz RLOKEKJVVRTQND-UHFFFAOYSA-N 2 2 229.327 2.585 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]C2CC2)C1 ZINC000071198592 359074203 /nfs/dbraw/zinc/07/42/03/359074203.db2.gz OOQNQOWGMWRJHN-WFASDCNBSA-N 2 2 230.355 2.574 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]C2CC2)C1 ZINC000071198592 359074211 /nfs/dbraw/zinc/07/42/11/359074211.db2.gz OOQNQOWGMWRJHN-WFASDCNBSA-N 2 2 230.355 2.574 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000070562939 359059233 /nfs/dbraw/zinc/05/92/33/359059233.db2.gz HLADEMVKTOZHKF-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000070562939 359059235 /nfs/dbraw/zinc/05/92/35/359059235.db2.gz HLADEMVKTOZHKF-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C(C)C)C1 ZINC000070562940 359059706 /nfs/dbraw/zinc/05/97/06/359059706.db2.gz HLADEMVKTOZHKF-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C(C)C)C1 ZINC000070562940 359059709 /nfs/dbraw/zinc/05/97/09/359059709.db2.gz HLADEMVKTOZHKF-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000070682691 359061606 /nfs/dbraw/zinc/06/16/06/359061606.db2.gz PAGCPNHBGZNELQ-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H](C)[NH2+]CC)c1ccccn1 ZINC000423382805 192757704 /nfs/dbraw/zinc/75/77/04/192757704.db2.gz OPUWFAHDTMXUHH-OLZOCXBDSA-N 2 2 235.375 2.510 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000423440129 192770393 /nfs/dbraw/zinc/77/03/93/192770393.db2.gz APEAKRLIYGHKQK-VXNVDRBHSA-N 2 2 232.780 2.789 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]CC1CCCCCC1 ZINC000089559612 360026015 /nfs/dbraw/zinc/02/60/15/360026015.db2.gz KNVNDSHYCLVHGS-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)o2)CC[N@@H+]1C ZINC000090720208 360085230 /nfs/dbraw/zinc/08/52/30/360085230.db2.gz WGMYGUMUZJDSER-VHSXEESVSA-N 2 2 242.750 2.505 20 0 BFADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)o2)CC[N@H+]1C ZINC000090720208 360085233 /nfs/dbraw/zinc/08/52/33/360085233.db2.gz WGMYGUMUZJDSER-VHSXEESVSA-N 2 2 242.750 2.505 20 0 BFADLP CC(C)C[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccccc1 ZINC000094079540 360295260 /nfs/dbraw/zinc/29/52/60/360295260.db2.gz HYZFFSUFJSEHOW-LSDHHAIUSA-N 2 2 232.371 2.725 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000093941337 360291471 /nfs/dbraw/zinc/29/14/71/360291471.db2.gz JPRPYXUSHJRTLC-MCIONIFRSA-N 2 2 235.375 2.688 20 0 BFADLP C1=CC[C@H](C[N@@H+]2CCC[NH+]3CCC[C@@H]3C2)CC1 ZINC000094449360 360308013 /nfs/dbraw/zinc/30/80/13/360308013.db2.gz FEEDUIPBVHYYSM-LSDHHAIUSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@H](C[N@H+]2CCC[NH+]3CCC[C@@H]3C2)CC1 ZINC000094449360 360308019 /nfs/dbraw/zinc/30/80/19/360308019.db2.gz FEEDUIPBVHYYSM-LSDHHAIUSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@H](C[NH+]2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000094449360 360308026 /nfs/dbraw/zinc/30/80/26/360308026.db2.gz FEEDUIPBVHYYSM-LSDHHAIUSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@H](C[NH+]2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000094449360 360308029 /nfs/dbraw/zinc/30/80/29/360308029.db2.gz FEEDUIPBVHYYSM-LSDHHAIUSA-N 2 2 234.387 2.513 20 0 BFADLP c1cc(C[NH2+]CC[NH+]2CCCC2)cc(C2CC2)c1 ZINC000094518029 360310060 /nfs/dbraw/zinc/31/00/60/360310060.db2.gz UUTQBWKBIUWWOZ-UHFFFAOYSA-N 2 2 244.382 2.749 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC000097927851 360382205 /nfs/dbraw/zinc/38/22/05/360382205.db2.gz DPEUMHKAHWYLMO-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C[C@@H]1C ZINC000097927853 360382286 /nfs/dbraw/zinc/38/22/86/360382286.db2.gz DPEUMHKAHWYLMO-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1C ZINC000629394209 361042910 /nfs/dbraw/zinc/04/29/10/361042910.db2.gz GXWSYOQFOBGDOF-HOCLYGCPSA-N 2 2 246.398 2.842 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3o2)C[NH2+]1 ZINC000629394844 361043178 /nfs/dbraw/zinc/04/31/78/361043178.db2.gz MONUQQQAFPUMFF-AAEUAGOBSA-N 2 2 244.338 2.663 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000629394210 361043521 /nfs/dbraw/zinc/04/35/21/361043521.db2.gz GXWSYOQFOBGDOF-ZBFHGGJFSA-N 2 2 246.398 2.842 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(C)c1 ZINC000629395670 361044045 /nfs/dbraw/zinc/04/40/45/361044045.db2.gz POXYHHTVKDTMFC-LSDHHAIUSA-N 2 2 246.398 2.842 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(Cl)c1Cl ZINC000420398871 200847910 /nfs/dbraw/zinc/84/79/10/200847910.db2.gz HDPBRBNUFUKOKJ-JGVFFNPUSA-N 2 2 247.169 2.991 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000629527361 361129627 /nfs/dbraw/zinc/12/96/27/361129627.db2.gz STVJAOPELMYLSS-XHSDSOJGSA-N 2 2 244.382 2.868 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000629526133 361127136 /nfs/dbraw/zinc/12/71/36/361127136.db2.gz LJQASFPIQYWERE-ARFHVFGLSA-N 2 2 244.382 2.712 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2F ZINC000629526585 361127373 /nfs/dbraw/zinc/12/73/73/361127373.db2.gz ZMFRSHZRLBZWQZ-RRFJBIMHSA-N 2 2 248.345 2.543 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)CCC(C)(C)C ZINC000181099426 366785457 /nfs/dbraw/zinc/78/54/57/366785457.db2.gz AJNKMBVJIPWERX-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(C)(C)C ZINC000181099426 366785462 /nfs/dbraw/zinc/78/54/62/366785462.db2.gz AJNKMBVJIPWERX-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)c1ccccn1 ZINC000629540033 361414660 /nfs/dbraw/zinc/41/46/60/361414660.db2.gz PREAPGSIDOGLOC-IPYPFGDCSA-N 2 2 247.386 2.653 20 0 BFADLP C[NH2+]CCC[N@H+](C)Cc1ccc(C(C)C)nc1C ZINC000629540153 361414672 /nfs/dbraw/zinc/41/46/72/361414672.db2.gz RBWPUDDJCUACME-UHFFFAOYSA-N 2 2 249.402 2.555 20 0 BFADLP C[NH2+]CCC[N@@H+](C)Cc1ccc(C(C)C)nc1C ZINC000629540153 361414676 /nfs/dbraw/zinc/41/46/76/361414676.db2.gz RBWPUDDJCUACME-UHFFFAOYSA-N 2 2 249.402 2.555 20 0 BFADLP Cc1nc(C(C)C)ccc1C[N@H+](C)CC(C)(C)[NH3+] ZINC000629544067 361421716 /nfs/dbraw/zinc/42/17/16/361421716.db2.gz GFFBSBYOFUJKJD-UHFFFAOYSA-N 2 2 249.402 2.683 20 0 BFADLP Cc1nc(C(C)C)ccc1C[N@@H+](C)CC(C)(C)[NH3+] ZINC000629544067 361421719 /nfs/dbraw/zinc/42/17/19/361421719.db2.gz GFFBSBYOFUJKJD-UHFFFAOYSA-N 2 2 249.402 2.683 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccs1 ZINC000629544768 361424338 /nfs/dbraw/zinc/42/43/38/361424338.db2.gz CKGGFXDQDWIEIY-HBNTYKKESA-N 2 2 224.373 2.539 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+]C2)c2ccccc21 ZINC000629544902 361424376 /nfs/dbraw/zinc/42/43/76/361424376.db2.gz HFHKDZOVMRVGRF-ZOWXZIJZSA-N 2 2 230.355 2.577 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1F ZINC000629545905 361426861 /nfs/dbraw/zinc/42/68/61/361426861.db2.gz SKJQLOMMBDMRCN-ZLKJLUDKSA-N 2 2 236.334 2.617 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccc2c(c1)CCC2 ZINC000629549431 361434379 /nfs/dbraw/zinc/43/43/79/361434379.db2.gz VNAPMNLDJJOVLI-MQIPJXDCSA-N 2 2 244.382 2.576 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629548993 361435951 /nfs/dbraw/zinc/43/59/51/361435951.db2.gz UAUVNXSLXVRNFN-KCQAQPDRSA-N 2 2 232.371 2.704 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000629549477 361441816 /nfs/dbraw/zinc/44/18/16/361441816.db2.gz WLLBKBWHPJWNBV-RKLWJJNISA-N 2 2 244.382 2.965 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3F)C[NH2+]1 ZINC000629542213 361417478 /nfs/dbraw/zinc/41/74/78/361417478.db2.gz ZYONYYZCVDCNNY-ZETOZRRWSA-N 2 2 248.345 2.543 20 0 BFADLP CC(C)C[C@H]([NH3+])C[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000629649824 361546419 /nfs/dbraw/zinc/54/64/19/361546419.db2.gz HSIOUIFJDMTYKG-SRVKXCTJSA-N 2 2 248.361 2.583 20 0 BFADLP C1=CC[C@@H](C[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434796477 201241379 /nfs/dbraw/zinc/24/13/79/201241379.db2.gz UILKYJDOHNFATF-GDBMZVCRSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@@H](C[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434796477 201241382 /nfs/dbraw/zinc/24/13/82/201241382.db2.gz UILKYJDOHNFATF-GDBMZVCRSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000434762310 201238904 /nfs/dbraw/zinc/23/89/04/201238904.db2.gz AIOLAANDGOEUJJ-FRRDWIJNSA-N 2 2 247.386 2.612 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1cccs1 ZINC000154563313 201283692 /nfs/dbraw/zinc/28/36/92/201283692.db2.gz BOBMFRWRBUGQHI-VXGBXAGGSA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1cccs1 ZINC000154563313 201283697 /nfs/dbraw/zinc/28/36/97/201283697.db2.gz BOBMFRWRBUGQHI-VXGBXAGGSA-N 2 2 238.400 2.883 20 0 BFADLP Cc1[nH]cc(-c2cc(C[NH+](C)C)ccc2F)[nH+]1 ZINC000629737405 361674440 /nfs/dbraw/zinc/67/44/40/361674440.db2.gz RZTQSZSASTZNLJ-UHFFFAOYSA-N 2 2 233.290 2.586 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CC[C@@H](C)C3)n2c1 ZINC000436412322 201324531 /nfs/dbraw/zinc/32/45/31/201324531.db2.gz RUCLWDOZEAUEFF-DGCLKSJQSA-N 2 2 243.354 2.921 20 0 BFADLP c1cc([C@@H]2CCC[N@H+]2CC23CC(C2)C[NH2+]3)cs1 ZINC000634991948 541303987 /nfs/dbraw/zinc/30/39/87/541303987.db2.gz XNXWLZAYHYGHQB-QRMWWUJWSA-N 2 2 248.395 2.637 20 0 BFADLP c1cc([C@@H]2CCC[N@@H+]2CC23CC(C2)C[NH2+]3)cs1 ZINC000634991948 541303993 /nfs/dbraw/zinc/30/39/93/541303993.db2.gz XNXWLZAYHYGHQB-QRMWWUJWSA-N 2 2 248.395 2.637 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CC ZINC000167543296 364794939 /nfs/dbraw/zinc/79/49/39/364794939.db2.gz DAQGDUYKOCWKSD-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCC[C@@H]1CC ZINC000167543296 364794947 /nfs/dbraw/zinc/79/49/47/364794947.db2.gz DAQGDUYKOCWKSD-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2)C[NH2+]1 ZINC000399048773 364751213 /nfs/dbraw/zinc/75/12/13/364751213.db2.gz UJLAUUAWVCILCF-GWCFXTLKSA-N 2 2 238.762 2.570 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000167363696 364791834 /nfs/dbraw/zinc/79/18/34/364791834.db2.gz OBRBSFJBOVQLII-BZPMIXESSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000167363696 364791837 /nfs/dbraw/zinc/79/18/37/364791837.db2.gz OBRBSFJBOVQLII-BZPMIXESSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@@H]3C2)n1C ZINC000574098748 364987188 /nfs/dbraw/zinc/98/71/88/364987188.db2.gz CKKXKHPBQUGZHS-BFHYXJOUSA-N 2 2 247.386 2.787 20 0 BFADLP Cc1cccc(CC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C)c1 ZINC000168773701 365005377 /nfs/dbraw/zinc/00/53/77/365005377.db2.gz GKGCMRXBMVMJBP-CABCVRRESA-N 2 2 248.414 2.856 20 0 BFADLP [NH3+]CC[N@H+](CCCCCF)Cc1ccccc1 ZINC000306777879 181390680 /nfs/dbraw/zinc/39/06/80/181390680.db2.gz OYOPWMOLMJLFQK-UHFFFAOYSA-N 2 2 238.350 2.587 20 0 BFADLP [NH3+]CC[N@@H+](CCCCCF)Cc1ccccc1 ZINC000306777879 181390683 /nfs/dbraw/zinc/39/06/83/181390683.db2.gz OYOPWMOLMJLFQK-UHFFFAOYSA-N 2 2 238.350 2.587 20 0 BFADLP CC1(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)CC1 ZINC000574740662 365132779 /nfs/dbraw/zinc/13/27/79/365132779.db2.gz UMPJQMNWPWFUML-UHFFFAOYSA-N 2 2 241.338 2.762 20 0 BFADLP Cc1ccccc1[C@@H]([C@H](C)[NH2+]C(C)C)[NH+](C)C ZINC000443206402 193014936 /nfs/dbraw/zinc/01/49/36/193014936.db2.gz GNBWXAXGIWNXLR-DZGCQCFKSA-N 2 2 234.387 2.984 20 0 BFADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334476426 365234912 /nfs/dbraw/zinc/23/49/12/365234912.db2.gz NOVBREXWGCTGSX-STQMWFEESA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000334476426 365234919 /nfs/dbraw/zinc/23/49/19/365234919.db2.gz NOVBREXWGCTGSX-STQMWFEESA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000334476426 365234925 /nfs/dbraw/zinc/23/49/25/365234925.db2.gz NOVBREXWGCTGSX-STQMWFEESA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000334476426 365234933 /nfs/dbraw/zinc/23/49/33/365234933.db2.gz NOVBREXWGCTGSX-STQMWFEESA-N 2 2 236.359 2.503 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000575600858 365333472 /nfs/dbraw/zinc/33/34/72/365333472.db2.gz QYWHWDUIZPMLTK-WDEREUQCSA-N 2 2 235.375 2.681 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000575600858 365333482 /nfs/dbraw/zinc/33/34/82/365333482.db2.gz QYWHWDUIZPMLTK-WDEREUQCSA-N 2 2 235.375 2.681 20 0 BFADLP C[C@H]1CCC[C@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000182795815 366942412 /nfs/dbraw/zinc/94/24/12/366942412.db2.gz WORKRQVTEVJVSR-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H]1CCC[C@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000182795815 366942417 /nfs/dbraw/zinc/94/24/17/366942417.db2.gz WORKRQVTEVJVSR-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@H](C)C[N@H+](CC)CCCn1cc[nH+]c1 ZINC000182818455 366946889 /nfs/dbraw/zinc/94/68/89/366946889.db2.gz KZOLEECNJQIGEI-ZDUSSCGKSA-N 2 2 223.364 2.641 20 0 BFADLP CC[C@H](C)C[N@@H+](CC)CCCn1cc[nH+]c1 ZINC000182818455 366946893 /nfs/dbraw/zinc/94/68/93/366946893.db2.gz KZOLEECNJQIGEI-ZDUSSCGKSA-N 2 2 223.364 2.641 20 0 BFADLP CC(C)[N@H+](CCCn1cc[nH+]c1)C1CCC1 ZINC000183191221 366993152 /nfs/dbraw/zinc/99/31/52/366993152.db2.gz ZIVTWCALDCJYDS-UHFFFAOYSA-N 2 2 221.348 2.536 20 0 BFADLP CC(C)[N@@H+](CCCn1cc[nH+]c1)C1CCC1 ZINC000183191221 366993159 /nfs/dbraw/zinc/99/31/59/366993159.db2.gz ZIVTWCALDCJYDS-UHFFFAOYSA-N 2 2 221.348 2.536 20 0 BFADLP CC1CC[NH+](CC[NH2+][C@H]2CCCC23CC3)CC1 ZINC000580963073 367221381 /nfs/dbraw/zinc/22/13/81/367221381.db2.gz LLPAPZRRWGHZJW-AWEZNQCLSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H](C[NH2+]C1CCCCCC1)Cn1cc[nH+]c1 ZINC000195251179 367351472 /nfs/dbraw/zinc/35/14/72/367351472.db2.gz WMTAXZCCKWEUFP-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000381338001 367383267 /nfs/dbraw/zinc/38/32/67/367383267.db2.gz WNPSMTAECBGEGQ-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000381338001 367383275 /nfs/dbraw/zinc/38/32/75/367383275.db2.gz WNPSMTAECBGEGQ-MJBXVCDLSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CCc1ccsc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000381229679 367367702 /nfs/dbraw/zinc/36/77/02/367367702.db2.gz KQCUYGGSSZNOEH-NEPJUHHUSA-N 2 2 240.416 2.609 20 0 BFADLP CCc1[nH+]ccn1Cc1c(C)cc(C)[nH+]c1C ZINC000631015193 370895384 /nfs/dbraw/zinc/89/53/84/370895384.db2.gz PRFGTIUKRZZOLO-UHFFFAOYSA-N 2 2 229.327 2.814 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)c1ccc(F)cc1 ZINC000399211385 367908709 /nfs/dbraw/zinc/90/87/09/367908709.db2.gz XVVRVFQZZQPFFN-JTNHKYCSSA-N 2 2 236.334 2.617 20 0 BFADLP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000386578955 367997506 /nfs/dbraw/zinc/99/75/06/367997506.db2.gz NZWHILJHAJKWBN-ZFWWWQNUSA-N 2 2 232.371 2.615 20 0 BFADLP CC(C)CC[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459342784 203261935 /nfs/dbraw/zinc/26/19/35/203261935.db2.gz FFFBDQUNIRONDA-CQSZACIVSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)CC[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459342784 203261937 /nfs/dbraw/zinc/26/19/37/203261937.db2.gz FFFBDQUNIRONDA-CQSZACIVSA-N 2 2 249.402 2.863 20 0 BFADLP C[NH+](C)C1(C[NH2+]C2CC(C(C)(C)C)C2)CCC1 ZINC000459504768 203292762 /nfs/dbraw/zinc/29/27/62/203292762.db2.gz GNOFOQGNNZALKX-UHFFFAOYSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000459662726 203332122 /nfs/dbraw/zinc/33/21/22/203332122.db2.gz NQYILNFQSKWDKX-HIFRSBDPSA-N 2 2 249.402 2.911 20 0 BFADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccc(C(F)F)cc1 ZINC000631859889 369468364 /nfs/dbraw/zinc/46/83/64/369468364.db2.gz FQCAUPZLMBGKFG-CABZTGNLSA-N 2 2 240.297 2.546 20 0 BFADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccc(C(F)F)cc1 ZINC000631859889 369468369 /nfs/dbraw/zinc/46/83/69/369468369.db2.gz FQCAUPZLMBGKFG-CABZTGNLSA-N 2 2 240.297 2.546 20 0 BFADLP CCC1(C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CCC1 ZINC000165328468 203382962 /nfs/dbraw/zinc/38/29/62/203382962.db2.gz ZBMOWALDFIHQAU-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CCC1(C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)CCC1 ZINC000165328468 203382965 /nfs/dbraw/zinc/38/29/65/203382965.db2.gz ZBMOWALDFIHQAU-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000309878725 370271091 /nfs/dbraw/zinc/27/10/91/370271091.db2.gz ULPJDICVDFNLFC-QWHCGFSZSA-N 2 2 226.408 2.743 20 0 BFADLP CCC1([NH2+]Cc2c[nH+]c(C)n2C)CCCC1 ZINC000568273231 326339191 /nfs/dbraw/zinc/33/91/91/326339191.db2.gz NJAPFKNUOYQNLH-UHFFFAOYSA-N 2 2 221.348 2.541 20 0 BFADLP C[NH+]1CCC(Nc2cc3ccccc3c[nH+]2)CC1 ZINC000631042595 371007022 /nfs/dbraw/zinc/00/70/22/371007022.db2.gz QZSURLSPTSKUMN-UHFFFAOYSA-N 2 2 241.338 2.741 20 0 BFADLP CC[C@H](CCc1ccccc1)[NH2+]C[C@H](C)[NH+](C)C ZINC000623887892 371140208 /nfs/dbraw/zinc/14/02/08/371140208.db2.gz QLEVKPJHAJPSOQ-GOEBONIOSA-N 2 2 248.414 2.938 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC23CC3)C[N@@H+]1C1CC1 ZINC000623825229 371113102 /nfs/dbraw/zinc/11/31/02/371113102.db2.gz ZLKGWJWNDZAOCE-MCIONIFRSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC23CC3)C[N@H+]1C1CC1 ZINC000623825229 371113107 /nfs/dbraw/zinc/11/31/07/371113107.db2.gz ZLKGWJWNDZAOCE-MCIONIFRSA-N 2 2 248.414 2.782 20 0 BFADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101066 371306996 /nfs/dbraw/zinc/30/69/96/371306996.db2.gz HTYINFHPMDWUPG-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101066 371306999 /nfs/dbraw/zinc/30/69/99/371306999.db2.gz HTYINFHPMDWUPG-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000624101389 371308452 /nfs/dbraw/zinc/30/84/52/371308452.db2.gz CPDVZRRJUXVXPP-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C ZINC000624101389 371308453 /nfs/dbraw/zinc/30/84/53/371308453.db2.gz CPDVZRRJUXVXPP-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624271758 371450540 /nfs/dbraw/zinc/45/05/40/371450540.db2.gz CPDVZRRJUXVXPP-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@]1(C)CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624271758 371450543 /nfs/dbraw/zinc/45/05/43/371450543.db2.gz CPDVZRRJUXVXPP-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000624272031 371452560 /nfs/dbraw/zinc/45/25/60/371452560.db2.gz TUGQYBDJESRPFA-MELADBBJSA-N 2 2 242.382 2.589 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000624272031 371452563 /nfs/dbraw/zinc/45/25/63/371452563.db2.gz TUGQYBDJESRPFA-MELADBBJSA-N 2 2 242.382 2.589 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000624272077 371452797 /nfs/dbraw/zinc/45/27/97/371452797.db2.gz WNPSMTAECBGEGQ-MCIONIFRSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000624272077 371452801 /nfs/dbraw/zinc/45/28/01/371452801.db2.gz WNPSMTAECBGEGQ-MCIONIFRSA-N 2 2 226.408 2.885 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000624270503 371453104 /nfs/dbraw/zinc/45/31/04/371453104.db2.gz YVDRNQMNERSSCH-SOUVJXGZSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000624270503 371453109 /nfs/dbraw/zinc/45/31/09/371453109.db2.gz YVDRNQMNERSSCH-SOUVJXGZSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC000227123884 371789470 /nfs/dbraw/zinc/78/94/70/371789470.db2.gz RKWRWJMXIAORBL-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1ccccc1C1CC1 ZINC000227123884 371789481 /nfs/dbraw/zinc/78/94/81/371789481.db2.gz RKWRWJMXIAORBL-OAHLLOKOSA-N 2 2 244.382 2.748 20 0 BFADLP [NH3+][C@@H]1CCCCC[N@H+](Cc2ccccc2F)C1 ZINC000631831691 372616897 /nfs/dbraw/zinc/61/68/97/372616897.db2.gz MNVXGOOWDXSMEN-CYBMUJFWSA-N 2 2 236.334 2.529 20 0 BFADLP [NH3+][C@@H]1CCCCC[N@@H+](Cc2ccccc2F)C1 ZINC000631831691 372616902 /nfs/dbraw/zinc/61/69/02/372616902.db2.gz MNVXGOOWDXSMEN-CYBMUJFWSA-N 2 2 236.334 2.529 20 0 BFADLP CC(C)[NH2+]Cc1ccc(-c2[nH+]ccn2C)cc1 ZINC000069473139 373293362 /nfs/dbraw/zinc/29/33/62/373293362.db2.gz KBAKXXQBVRJJLT-UHFFFAOYSA-N 2 2 229.327 2.585 20 0 BFADLP C[C@H](CCC1CCCC1)[NH2+]C[C@H](C)[NH+](C)C ZINC000167340142 206146016 /nfs/dbraw/zinc/14/60/16/206146016.db2.gz AOCBSABCZWDYIE-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+](C)CCCc1c[nH+]ccc1C ZINC000289168435 169077713 /nfs/dbraw/zinc/07/77/13/169077713.db2.gz RPVWJYLVTAIQPK-UHFFFAOYSA-N 2 2 206.333 2.664 20 0 BFADLP CCC[N@@H+](C)CCCc1c[nH+]ccc1C ZINC000289168435 169077714 /nfs/dbraw/zinc/07/77/14/169077714.db2.gz RPVWJYLVTAIQPK-UHFFFAOYSA-N 2 2 206.333 2.664 20 0 BFADLP CCC[N@H+](CC)C[C@@H](C)Nc1cc(C)cc[nH+]1 ZINC000357777311 169126183 /nfs/dbraw/zinc/12/61/83/169126183.db2.gz ZIDCNXMZVRVBAK-CYBMUJFWSA-N 2 2 235.375 2.922 20 0 BFADLP CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C)cc[nH+]1 ZINC000357777311 169126184 /nfs/dbraw/zinc/12/61/84/169126184.db2.gz ZIDCNXMZVRVBAK-CYBMUJFWSA-N 2 2 235.375 2.922 20 0 BFADLP CCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278523143 169192034 /nfs/dbraw/zinc/19/20/34/169192034.db2.gz CUVRPMJTYDALPT-UHFFFAOYSA-N 2 2 234.343 2.643 20 0 BFADLP c1cc2cc(C[NH2+]CC[NH+]3CCCC3)ccc2o1 ZINC000285336113 183374966 /nfs/dbraw/zinc/37/49/66/183374966.db2.gz CGZZVFGGDXINRP-UHFFFAOYSA-N 2 2 244.338 2.618 20 0 BFADLP CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337254042 169367375 /nfs/dbraw/zinc/36/73/75/169367375.db2.gz QGOWOISPTXTKPD-OCCSQVGLSA-N 2 2 234.343 2.723 20 0 BFADLP CCC[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337254042 169367376 /nfs/dbraw/zinc/36/73/76/169367376.db2.gz QGOWOISPTXTKPD-OCCSQVGLSA-N 2 2 234.343 2.723 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C1CCCC1 ZINC000313380836 383889005 /nfs/dbraw/zinc/88/90/05/383889005.db2.gz CCTYPGJOWQRIAW-OCCSQVGLSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000037249837 383965599 /nfs/dbraw/zinc/96/55/99/383965599.db2.gz BEXKTPNCWDWORY-BXUZGUMPSA-N 2 2 248.370 2.587 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000089553059 383975939 /nfs/dbraw/zinc/97/59/39/383975939.db2.gz JNOMWVFFYLZPTP-IPYPFGDCSA-N 2 2 244.382 2.962 20 0 BFADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000089553059 383975951 /nfs/dbraw/zinc/97/59/51/383975951.db2.gz JNOMWVFFYLZPTP-IPYPFGDCSA-N 2 2 244.382 2.962 20 0 BFADLP Cc1ccc([C@@H]([NH2+]C[C@@H](C)[NH+](C)C)C2CC2)cc1 ZINC000038087640 384067503 /nfs/dbraw/zinc/06/75/03/384067503.db2.gz CZSFGGWVQREHKN-CZUORRHYSA-N 2 2 246.398 2.986 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)[NH+](C)C ZINC000116386552 384131910 /nfs/dbraw/zinc/13/19/10/384131910.db2.gz LXPXRLOXHXYMTD-UKRRQHHQSA-N 2 2 234.387 2.547 20 0 BFADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000313250111 384150655 /nfs/dbraw/zinc/15/06/55/384150655.db2.gz BJLXDFNVYXDBJF-CABCVRRESA-N 2 2 249.402 2.767 20 0 BFADLP Cn1c[nH+]c(CC[NH2+]C2CCC(C)(C)CC2)c1 ZINC000313262163 384175610 /nfs/dbraw/zinc/17/56/10/384175610.db2.gz AVPKNCAGSHEQLQ-UHFFFAOYSA-N 2 2 235.375 2.521 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000041064027 384175528 /nfs/dbraw/zinc/17/55/28/384175528.db2.gz MLQKAMCYWXWFKC-NSHDSACASA-N 2 2 249.745 2.887 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000041064026 384176415 /nfs/dbraw/zinc/17/64/15/384176415.db2.gz KYNGEPXDJAJIQR-LLVKDONJSA-N 2 2 249.745 2.887 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)c(C)c1 ZINC000041119118 384177443 /nfs/dbraw/zinc/17/74/43/384177443.db2.gz QTCGCHMNBJAORO-CQSZACIVSA-N 2 2 243.354 2.851 20 0 BFADLP Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235390857 384188561 /nfs/dbraw/zinc/18/85/61/384188561.db2.gz XWEJJANHLRBQAC-YGRLFVJLSA-N 2 2 244.338 2.520 20 0 BFADLP Cc1oc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235390857 384188562 /nfs/dbraw/zinc/18/85/62/384188562.db2.gz XWEJJANHLRBQAC-YGRLFVJLSA-N 2 2 244.338 2.520 20 0 BFADLP CCC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000163681265 384230329 /nfs/dbraw/zinc/23/03/29/384230329.db2.gz LFFFXJGKRNPPKM-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC1CCC([NH2+]C[C@@H]2CCC[N@H+]2C)CC1 ZINC000163681265 384230336 /nfs/dbraw/zinc/23/03/36/384230336.db2.gz LFFFXJGKRNPPKM-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP c1cn(CCCC[NH2+][C@H](C2CC2)C2CCC2)c[nH+]1 ZINC000516718741 384234156 /nfs/dbraw/zinc/23/41/56/384234156.db2.gz KGBHUYMOEXQEAB-HNNXBMFYSA-N 2 2 247.386 2.832 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)c2ccccc21 ZINC000289326392 384227127 /nfs/dbraw/zinc/22/71/27/384227127.db2.gz VFVJBJWKANTEAE-WWGRRREGSA-N 2 2 244.382 2.919 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)c2ccccc21 ZINC000289326392 384227134 /nfs/dbraw/zinc/22/71/34/384227134.db2.gz VFVJBJWKANTEAE-WWGRRREGSA-N 2 2 244.382 2.919 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000158757371 384266395 /nfs/dbraw/zinc/26/63/95/384266395.db2.gz NWZMRPRGJAOGLG-MRXNPFEDSA-N 2 2 246.398 2.549 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000158757371 384266405 /nfs/dbraw/zinc/26/64/05/384266405.db2.gz NWZMRPRGJAOGLG-MRXNPFEDSA-N 2 2 246.398 2.549 20 0 BFADLP Cc1cc[nH+]c(N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000043561653 384286866 /nfs/dbraw/zinc/28/68/66/384286866.db2.gz FGHCHNYKVMODHS-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000133501276 384295630 /nfs/dbraw/zinc/29/56/30/384295630.db2.gz QQRSVKRMTUVBHE-HOCLYGCPSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000133501276 384295635 /nfs/dbraw/zinc/29/56/35/384295635.db2.gz QQRSVKRMTUVBHE-HOCLYGCPSA-N 2 2 246.398 2.549 20 0 BFADLP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccsc1Cl ZINC000405466512 384360165 /nfs/dbraw/zinc/36/01/65/384360165.db2.gz JXMWLZNKRYQIIV-IUCAKERBSA-N 2 2 244.791 2.617 20 0 BFADLP CC1(C)CCC[C@H](C[NH2+][C@H](CC[NH3+])C(F)F)C1 ZINC000560973810 384430417 /nfs/dbraw/zinc/43/04/17/384430417.db2.gz QBQRSASSVBSWGK-WDEREUQCSA-N 2 2 248.361 2.775 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300143431 384473252 /nfs/dbraw/zinc/47/32/52/384473252.db2.gz WIZUZYMUHQKRPI-UPJWGTAASA-N 2 2 235.375 2.686 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H](C)C3CC3)c[nH+]c12 ZINC000449440049 384493611 /nfs/dbraw/zinc/49/36/11/384493611.db2.gz KBPHKEINKXNNJJ-LLVKDONJSA-N 2 2 229.327 2.531 20 0 BFADLP CC[N@H+](CC[NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000647178239 384517383 /nfs/dbraw/zinc/51/73/83/384517383.db2.gz IFWJJFNYBWFTAN-UHFFFAOYSA-N 2 2 246.345 2.638 20 0 BFADLP CC[N@@H+](CC[NH2+]C1CCC(F)(F)CC1)C1CC1 ZINC000647178239 384517389 /nfs/dbraw/zinc/51/73/89/384517389.db2.gz IFWJJFNYBWFTAN-UHFFFAOYSA-N 2 2 246.345 2.638 20 0 BFADLP Cl/C=C/C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151149218 384545984 /nfs/dbraw/zinc/54/59/84/384545984.db2.gz IFUIUFRDMWMWKJ-LVDDQXARSA-N 2 2 242.794 2.689 20 0 BFADLP Cl/C=C/C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151149218 384545990 /nfs/dbraw/zinc/54/59/90/384545990.db2.gz IFUIUFRDMWMWKJ-LVDDQXARSA-N 2 2 242.794 2.689 20 0 BFADLP c1ccc2c(c1)CC[C@H]2[NH2+]CC[NH+]1CCCCC1 ZINC000049574550 384550609 /nfs/dbraw/zinc/55/06/09/384550609.db2.gz ADLCIDMDZVFANZ-MRXNPFEDSA-N 2 2 244.382 2.749 20 0 BFADLP C[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1Cl ZINC000019958421 384563007 /nfs/dbraw/zinc/56/30/07/384563007.db2.gz VDLHFGNMTXZCNR-NSHDSACASA-N 2 2 240.778 2.942 20 0 BFADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccn1 ZINC000049856296 384575404 /nfs/dbraw/zinc/57/54/04/384575404.db2.gz XROZHQSSUPMVEE-UONOGXRCSA-N 2 2 247.386 2.607 20 0 BFADLP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccn1 ZINC000049856296 384575413 /nfs/dbraw/zinc/57/54/13/384575413.db2.gz XROZHQSSUPMVEE-UONOGXRCSA-N 2 2 247.386 2.607 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184257070 384584863 /nfs/dbraw/zinc/58/48/63/384584863.db2.gz DDDUWQMKVVFXQH-ZFWWWQNUSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184257070 384584868 /nfs/dbraw/zinc/58/48/68/384584868.db2.gz DDDUWQMKVVFXQH-ZFWWWQNUSA-N 2 2 247.386 2.525 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@@H]2C)c[nH+]1 ZINC000309785544 384608518 /nfs/dbraw/zinc/60/85/18/384608518.db2.gz NWZSQEMXRVVUII-FZMZJTMJSA-N 2 2 218.344 2.711 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]CC[NH+]1CCCCCC1 ZINC000040767285 384593124 /nfs/dbraw/zinc/59/31/24/384593124.db2.gz VLKZGIPXUQJUEV-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]CC[NH+](CC)CC ZINC000042579405 384641279 /nfs/dbraw/zinc/64/12/79/384641279.db2.gz AQSUKZBQWSGNQU-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC000309814732 384643646 /nfs/dbraw/zinc/64/36/46/384643646.db2.gz AJYYULQPIHLGQE-LBPRGKRZSA-N 2 2 226.408 2.743 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000154611812 384645541 /nfs/dbraw/zinc/64/55/41/384645541.db2.gz CJBSIFZHYZASRH-RRFJBIMHSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000154611812 384645547 /nfs/dbraw/zinc/64/55/47/384645547.db2.gz CJBSIFZHYZASRH-RRFJBIMHSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+](CCCc1ccccc1)CC[NH2+]C(C)(C)C ZINC000053661235 384720816 /nfs/dbraw/zinc/72/08/16/384720816.db2.gz HBXRQOLYIAZKIG-UHFFFAOYSA-N 2 2 248.414 2.939 20 0 BFADLP C[N@@H+](CCCc1ccccc1)CC[NH2+]C(C)(C)C ZINC000053661235 384720825 /nfs/dbraw/zinc/72/08/25/384720825.db2.gz HBXRQOLYIAZKIG-UHFFFAOYSA-N 2 2 248.414 2.939 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+]C2CCCCCC2)C1 ZINC000053342177 384746337 /nfs/dbraw/zinc/74/63/37/384746337.db2.gz QFGXEVJVSMVZID-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+]C2CCCCCC2)C1 ZINC000053342177 384746341 /nfs/dbraw/zinc/74/63/41/384746341.db2.gz QFGXEVJVSMVZID-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000054109881 384823204 /nfs/dbraw/zinc/82/32/04/384823204.db2.gz RVATVCUWTQLPLS-CQSZACIVSA-N 2 2 234.387 2.549 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)CCc1ccccc1 ZINC000054109881 384823209 /nfs/dbraw/zinc/82/32/09/384823209.db2.gz RVATVCUWTQLPLS-CQSZACIVSA-N 2 2 234.387 2.549 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000054111164 384823367 /nfs/dbraw/zinc/82/33/67/384823367.db2.gz KNTDDRXVSJEKBI-ZDUSSCGKSA-N 2 2 238.375 2.531 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000054111164 384823369 /nfs/dbraw/zinc/82/33/69/384823369.db2.gz KNTDDRXVSJEKBI-ZDUSSCGKSA-N 2 2 238.375 2.531 20 0 BFADLP CC(C)[C@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000054764377 384850238 /nfs/dbraw/zinc/85/02/38/384850238.db2.gz DOWIGMNYTUFSCR-AWEZNQCLSA-N 2 2 229.327 2.897 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+]CCCNc1cccc[nH+]1 ZINC000163789465 384858828 /nfs/dbraw/zinc/85/88/28/384858828.db2.gz FDBPHCUWVISRGR-CHWSQXEVSA-N 2 2 235.375 2.908 20 0 BFADLP CC[C@@H]([NH2+]CCCNc1cccc[nH+]1)C(C)C ZINC000163837543 384867478 /nfs/dbraw/zinc/86/74/78/384867478.db2.gz PNWCSZOTGFBLRD-CYBMUJFWSA-N 2 2 235.375 2.908 20 0 BFADLP Cc1ccc(C[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000140136920 384902135 /nfs/dbraw/zinc/90/21/35/384902135.db2.gz LEOFDDBPJUJGPH-UHFFFAOYSA-N 2 2 238.762 2.572 20 0 BFADLP COc1cc(C)ccc1[NH2+][C@@H](C)CCCC[NH3+] ZINC000310292255 384944503 /nfs/dbraw/zinc/94/45/03/384944503.db2.gz RVGSDXMRXOEPDD-LBPRGKRZSA-N 2 2 236.359 2.933 20 0 BFADLP CC(C)(C)c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000258873061 384946979 /nfs/dbraw/zinc/94/69/79/384946979.db2.gz JTYAKHRDUKEYEZ-OAHLLOKOSA-N 2 2 246.398 2.826 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccoc1 ZINC000367439334 384974757 /nfs/dbraw/zinc/97/47/57/384974757.db2.gz TUAQZKWNIGYCHU-LLVKDONJSA-N 2 2 245.326 2.663 20 0 BFADLP c1ccc(NCCC[NH2+]C2CC3(CCC3)C2)[nH+]c1 ZINC000448068452 384977115 /nfs/dbraw/zinc/97/71/15/384977115.db2.gz VSPACQDTKTUOSJ-UHFFFAOYSA-N 2 2 245.370 2.806 20 0 BFADLP c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)[nH+]c1 ZINC000150883124 385069504 /nfs/dbraw/zinc/06/95/04/385069504.db2.gz HXAAYICRVQWSPE-AWEZNQCLSA-N 2 2 245.370 2.536 20 0 BFADLP CCCC[NH2+]CCCc1c[nH+]ccc1C ZINC000289367247 385077558 /nfs/dbraw/zinc/07/75/58/385077558.db2.gz ZHXWJFUMOHUJSD-UHFFFAOYSA-N 2 2 206.333 2.712 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448078253 385034390 /nfs/dbraw/zinc/03/43/90/385034390.db2.gz QZWKBAVHZFYKPF-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC2(CCC2)C1 ZINC000448078253 385034395 /nfs/dbraw/zinc/03/43/95/385034395.db2.gz QZWKBAVHZFYKPF-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cccc(NC[C@@H](CC(C)C)[NH+](C)C)[nH+]1 ZINC000156987100 385038388 /nfs/dbraw/zinc/03/83/88/385038388.db2.gz ZTAODWXTPKXDOO-CYBMUJFWSA-N 2 2 235.375 2.778 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000359301403 385192345 /nfs/dbraw/zinc/19/23/45/385192345.db2.gz KMRJJYANCNDCOV-KBMXLJTQSA-N 2 2 246.398 2.923 20 0 BFADLP CC(C)[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000359301403 385192349 /nfs/dbraw/zinc/19/23/49/385192349.db2.gz KMRJJYANCNDCOV-KBMXLJTQSA-N 2 2 246.398 2.923 20 0 BFADLP CC[NH+](CC)CCC[NH+]1Cc2ccccc2C1 ZINC000189929287 385199119 /nfs/dbraw/zinc/19/91/19/385199119.db2.gz QIVLBNQJJANHGN-UHFFFAOYSA-N 2 2 232.371 2.734 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)C1 ZINC000336379479 385209304 /nfs/dbraw/zinc/20/93/04/385209304.db2.gz LRMFDXCLOKMGAH-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH+]1CC[C@@H](C)C1 ZINC000336379479 385209313 /nfs/dbraw/zinc/20/93/13/385209313.db2.gz LRMFDXCLOKMGAH-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@@H+]1CC[C@@H](C)C1 ZINC000336379479 385209317 /nfs/dbraw/zinc/20/93/17/385209317.db2.gz LRMFDXCLOKMGAH-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)[NH+]1CCCC[C@H]1C[N@H+]1CC[C@@H](C)C1 ZINC000336379479 385209323 /nfs/dbraw/zinc/20/93/23/385209323.db2.gz LRMFDXCLOKMGAH-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)C1CC1 ZINC000177285973 385213343 /nfs/dbraw/zinc/21/33/43/385213343.db2.gz KOCUIBOXWQXBQU-GFCCVEGCSA-N 2 2 233.359 2.662 20 0 BFADLP CC[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(F)c1 ZINC000166544290 385254055 /nfs/dbraw/zinc/25/40/55/385254055.db2.gz YBDRAPXBSBJHRK-CQSZACIVSA-N 2 2 247.317 2.763 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1 ZINC000020126991 385307307 /nfs/dbraw/zinc/30/73/07/385307307.db2.gz IWNGZOKEZNUGPF-CQSZACIVSA-N 2 2 246.398 2.995 20 0 BFADLP CC[C@@H](C)[C@@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130559029 385259749 /nfs/dbraw/zinc/25/97/49/385259749.db2.gz UVPIBLNDMKHORO-CHWSQXEVSA-N 2 2 245.370 2.901 20 0 BFADLP C[C@@H]([NH2+]CCc1cn2ccccc2[nH+]1)C(C)(C)C ZINC000130660887 385275394 /nfs/dbraw/zinc/27/53/94/385275394.db2.gz GVKFFHFPIIDYSI-GFCCVEGCSA-N 2 2 245.370 2.901 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC000154619063 385342126 /nfs/dbraw/zinc/34/21/26/385342126.db2.gz NXXFSNRNEGQUSR-RISCZKNCSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC000154619063 385342133 /nfs/dbraw/zinc/34/21/33/385342133.db2.gz NXXFSNRNEGQUSR-RISCZKNCSA-N 2 2 236.334 2.571 20 0 BFADLP C[N@H+](Cc1cccc2[nH+]ccn21)C1CCCC1 ZINC000179630229 385480145 /nfs/dbraw/zinc/48/01/45/385480145.db2.gz NFWUANHMYJDBPL-UHFFFAOYSA-N 2 2 229.327 2.709 20 0 BFADLP C[N@@H+](Cc1cccc2[nH+]ccn21)C1CCCC1 ZINC000179630229 385480147 /nfs/dbraw/zinc/48/01/47/385480147.db2.gz NFWUANHMYJDBPL-UHFFFAOYSA-N 2 2 229.327 2.709 20 0 BFADLP C[C@H](C1CC1)[N@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179714748 385485265 /nfs/dbraw/zinc/48/52/65/385485265.db2.gz HPKOSHSWLYFKPZ-LLVKDONJSA-N 2 2 229.327 2.565 20 0 BFADLP C[C@H](C1CC1)[N@@H+](C)Cc1cccc2[nH+]ccn21 ZINC000179714748 385485268 /nfs/dbraw/zinc/48/52/68/385485268.db2.gz HPKOSHSWLYFKPZ-LLVKDONJSA-N 2 2 229.327 2.565 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CCC1(C)C)[NH+](C)C ZINC000309316764 385529026 /nfs/dbraw/zinc/52/90/26/385529026.db2.gz PJILSHMWELVVAS-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000171940827 385535556 /nfs/dbraw/zinc/53/55/56/385535556.db2.gz VEEQSFRGSHDKQF-CQSZACIVSA-N 2 2 249.402 2.806 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000171940827 385535559 /nfs/dbraw/zinc/53/55/59/385535559.db2.gz VEEQSFRGSHDKQF-CQSZACIVSA-N 2 2 249.402 2.806 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2F)c[nH+]1 ZINC000354666437 385624871 /nfs/dbraw/zinc/62/48/71/385624871.db2.gz ZODRTJKNHPOJJY-ZIAGYGMSSA-N 2 2 236.334 2.803 20 0 BFADLP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2F)c[nH+]1 ZINC000354666435 385625013 /nfs/dbraw/zinc/62/50/13/385625013.db2.gz ZODRTJKNHPOJJY-UONOGXRCSA-N 2 2 236.334 2.803 20 0 BFADLP CCC[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000337340160 385610821 /nfs/dbraw/zinc/61/08/21/385610821.db2.gz SJBSCSCKJVNTAG-KBPBESRZSA-N 2 2 224.392 2.735 20 0 BFADLP CCC[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000337340160 385610827 /nfs/dbraw/zinc/61/08/27/385610827.db2.gz SJBSCSCKJVNTAG-KBPBESRZSA-N 2 2 224.392 2.735 20 0 BFADLP C[C@H]1[C@@H](Nc2cc[nH+]cc2Cl)CCC[N@@H+]1C ZINC000309506641 385641287 /nfs/dbraw/zinc/64/12/87/385641287.db2.gz WBOBZNYJZZIKTL-ONGXEEELSA-N 2 2 239.750 2.630 20 0 BFADLP C[C@H]1[C@@H](Nc2cc[nH+]cc2Cl)CCC[N@H+]1C ZINC000309506641 385641290 /nfs/dbraw/zinc/64/12/90/385641290.db2.gz WBOBZNYJZZIKTL-ONGXEEELSA-N 2 2 239.750 2.630 20 0 BFADLP C[C@@H]1[C@@H](Nc2cc[nH+]cc2Cl)CCC[N@@H+]1C ZINC000309506639 385641444 /nfs/dbraw/zinc/64/14/44/385641444.db2.gz WBOBZNYJZZIKTL-KOLCDFICSA-N 2 2 239.750 2.630 20 0 BFADLP C[C@@H]1[C@@H](Nc2cc[nH+]cc2Cl)CCC[N@H+]1C ZINC000309506639 385641447 /nfs/dbraw/zinc/64/14/47/385641447.db2.gz WBOBZNYJZZIKTL-KOLCDFICSA-N 2 2 239.750 2.630 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)c1cccc(C)c1 ZINC000336683814 385669006 /nfs/dbraw/zinc/66/90/06/385669006.db2.gz CLIKUDXAYQBURJ-UKRRQHHQSA-N 2 2 234.387 2.986 20 0 BFADLP CC(C)CCC[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000309617968 385749748 /nfs/dbraw/zinc/74/97/48/385749748.db2.gz OHVPDSXBULVGAM-ZDUSSCGKSA-N 2 2 223.364 2.545 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]C[C@@H](C)[N@H+](C)C1CC1 ZINC000186322710 385758625 /nfs/dbraw/zinc/75/86/25/385758625.db2.gz JBSYCEMVADRGNT-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]C[C@@H](C)[N@@H+](C)C1CC1 ZINC000186322710 385758626 /nfs/dbraw/zinc/75/86/26/385758626.db2.gz JBSYCEMVADRGNT-VXGBXAGGSA-N 2 2 224.392 2.637 20 0 BFADLP CCCC[N@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000183473496 385763590 /nfs/dbraw/zinc/76/35/90/385763590.db2.gz XAUOCILHPRWOEP-UHFFFAOYSA-N 2 2 231.343 2.956 20 0 BFADLP CCCC[N@@H+](CC)Cc1cccc2[nH+]ccn21 ZINC000183473496 385763594 /nfs/dbraw/zinc/76/35/94/385763594.db2.gz XAUOCILHPRWOEP-UHFFFAOYSA-N 2 2 231.343 2.956 20 0 BFADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccco2)CC1 ZINC000271045571 385774905 /nfs/dbraw/zinc/77/49/05/385774905.db2.gz QLYGTRIKQGCATN-UHFFFAOYSA-N 2 2 236.359 2.584 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccco2)CC1 ZINC000271045571 385774911 /nfs/dbraw/zinc/77/49/11/385774911.db2.gz QLYGTRIKQGCATN-UHFFFAOYSA-N 2 2 236.359 2.584 20 0 BFADLP Cc1cccc(N[C@@H](C)C[N@H+](C)C(C)C)[nH+]1 ZINC000309593545 385722587 /nfs/dbraw/zinc/72/25/87/385722587.db2.gz HRPBBXUASMVOLA-LBPRGKRZSA-N 2 2 221.348 2.531 20 0 BFADLP Cc1cccc(N[C@@H](C)C[N@@H+](C)C(C)C)[nH+]1 ZINC000309593545 385722594 /nfs/dbraw/zinc/72/25/94/385722594.db2.gz HRPBBXUASMVOLA-LBPRGKRZSA-N 2 2 221.348 2.531 20 0 BFADLP Cc1ccccc1C1([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000647800440 385806522 /nfs/dbraw/zinc/80/65/22/385806522.db2.gz BCMYTJKVHLVXIQ-HIFRSBDPSA-N 2 2 244.382 2.714 20 0 BFADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000488464276 385807299 /nfs/dbraw/zinc/80/72/99/385807299.db2.gz RMDCDTJMWNRBTB-LZWOXQAQSA-N 2 2 246.398 2.753 20 0 BFADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000488464276 385807305 /nfs/dbraw/zinc/80/73/05/385807305.db2.gz RMDCDTJMWNRBTB-LZWOXQAQSA-N 2 2 246.398 2.753 20 0 BFADLP Cc1ccsc1C[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000336725034 385828882 /nfs/dbraw/zinc/82/88/82/385828882.db2.gz BHHRDNUZBDCOIU-NWDGAFQWSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1ccsc1C[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000336725034 385828884 /nfs/dbraw/zinc/82/88/84/385828884.db2.gz BHHRDNUZBDCOIU-NWDGAFQWSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cscn1 ZINC000271495842 385834854 /nfs/dbraw/zinc/83/48/54/385834854.db2.gz LGVPYWYFXUGCHW-NSHDSACASA-N 2 2 247.367 2.740 20 0 BFADLP CC(C)CCC[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000414955470 385836082 /nfs/dbraw/zinc/83/60/82/385836082.db2.gz NDNHARBYAUUIRA-INIZCTEOSA-N 2 2 246.398 2.899 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000623740599 385790338 /nfs/dbraw/zinc/79/03/38/385790338.db2.gz ABFOPYSSASSECN-XYFZXANASA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)C[N@H+]1C1CC1 ZINC000623740599 385790340 /nfs/dbraw/zinc/79/03/40/385790340.db2.gz ABFOPYSSASSECN-XYFZXANASA-N 2 2 248.414 2.637 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@@H]1C[N@H+](C)C[C@H]1C ZINC000390797115 385905015 /nfs/dbraw/zinc/90/50/15/385905015.db2.gz SXFBFAGOLJVASC-HZSPNIEDSA-N 2 2 226.408 2.885 20 0 BFADLP CCCC[C@H](CCC)[NH2+][C@@H]1C[N@@H+](C)C[C@H]1C ZINC000390797115 385905020 /nfs/dbraw/zinc/90/50/20/385905020.db2.gz SXFBFAGOLJVASC-HZSPNIEDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000337984858 385868764 /nfs/dbraw/zinc/86/87/64/385868764.db2.gz BYGVKKFBRBAMIV-XTBFLFJDSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000337984858 385868771 /nfs/dbraw/zinc/86/87/71/385868771.db2.gz BYGVKKFBRBAMIV-XTBFLFJDSA-N 2 2 248.414 2.780 20 0 BFADLP CCC[C@H](C)[C@@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000414127471 385976983 /nfs/dbraw/zinc/97/69/83/385976983.db2.gz PWQJDPRDUYIEAL-GXTWGEPZSA-N 2 2 237.391 2.767 20 0 BFADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414128652 385977034 /nfs/dbraw/zinc/97/70/34/385977034.db2.gz UFXDJYLGMADLAE-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414128652 385977037 /nfs/dbraw/zinc/97/70/37/385977037.db2.gz UFXDJYLGMADLAE-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC12CCCC2 ZINC000189036612 385931660 /nfs/dbraw/zinc/93/16/60/385931660.db2.gz NJIXFJUKWMFVQF-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000414058057 385935898 /nfs/dbraw/zinc/93/58/98/385935898.db2.gz GTQDSWFREQMNRZ-MRLBHPIUSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@H]1C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000414058057 385935899 /nfs/dbraw/zinc/93/58/99/385935899.db2.gz GTQDSWFREQMNRZ-MRLBHPIUSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000414078212 385950451 /nfs/dbraw/zinc/95/04/51/385950451.db2.gz ZRQOTVNHVFRDEG-RYPNDVFKSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000414078212 385950454 /nfs/dbraw/zinc/95/04/54/385950454.db2.gz ZRQOTVNHVFRDEG-RYPNDVFKSA-N 2 2 238.419 2.741 20 0 BFADLP [NH3+][C@H]1CCCCC[C@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335055001 385954297 /nfs/dbraw/zinc/95/42/97/385954297.db2.gz PRCILKPLNPQMFT-DZGCQCFKSA-N 2 2 245.370 2.727 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](C)C3CC3)n2c1 ZINC000295053520 385954547 /nfs/dbraw/zinc/95/45/47/385954547.db2.gz NQOXDOIFOOMYLR-LLVKDONJSA-N 2 2 229.327 2.531 20 0 BFADLP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1ccc2c(c1)CC[NH2+]2 ZINC000335055908 385955751 /nfs/dbraw/zinc/95/57/51/385955751.db2.gz RTXKQQGLHNCGEK-WFASDCNBSA-N 2 2 245.370 2.584 20 0 BFADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]c1ccc2c(c1)CCN2 ZINC000335055908 385955757 /nfs/dbraw/zinc/95/57/57/385955757.db2.gz RTXKQQGLHNCGEK-WFASDCNBSA-N 2 2 245.370 2.584 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)[C@H]1C[C@H]1C ZINC000414092239 385956725 /nfs/dbraw/zinc/95/67/25/385956725.db2.gz FFOGTPSEPBNORP-RFGFWPKPSA-N 2 2 247.386 2.785 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCCn2cc[nH+]c21)[C@@H]1C[C@@H]1C ZINC000414092237 385957174 /nfs/dbraw/zinc/95/71/74/385957174.db2.gz FFOGTPSEPBNORP-FQUUOJAGSA-N 2 2 247.386 2.785 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccccc1F ZINC000335059523 385960387 /nfs/dbraw/zinc/96/03/87/385960387.db2.gz BUMRFONNASMIGX-NWDGAFQWSA-N 2 2 236.334 2.618 20 0 BFADLP CC/C=C\CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000342220773 385962672 /nfs/dbraw/zinc/96/26/72/385962672.db2.gz SPKTWYXDNWXZOA-ARJAWSKDSA-N 2 2 233.359 2.945 20 0 BFADLP Cc1[nH+]cn(C[C@@H]2CCCC[N@H+]2C(C)C)c1C ZINC000335013463 385969355 /nfs/dbraw/zinc/96/93/55/385969355.db2.gz TWBNZCZLMYOXTP-AWEZNQCLSA-N 2 2 235.375 2.763 20 0 BFADLP Cc1[nH+]cn(C[C@@H]2CCCC[N@@H+]2C(C)C)c1C ZINC000335013463 385969360 /nfs/dbraw/zinc/96/93/60/385969360.db2.gz TWBNZCZLMYOXTP-AWEZNQCLSA-N 2 2 235.375 2.763 20 0 BFADLP CC[NH+](CC)CCC[N@H+](C)Cc1cnccc1C ZINC000338361075 385971577 /nfs/dbraw/zinc/97/15/77/385971577.db2.gz OSNTTWMBCCHDPU-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](C)Cc1cnccc1C ZINC000338361075 385971581 /nfs/dbraw/zinc/97/15/81/385971581.db2.gz OSNTTWMBCCHDPU-UHFFFAOYSA-N 2 2 249.402 2.554 20 0 BFADLP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000414122314 385972485 /nfs/dbraw/zinc/97/24/85/385972485.db2.gz ILLZDQOQGKLPIE-UMVBOHGHSA-N 2 2 249.402 2.767 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1C[C@H]1C ZINC000414112942 386006807 /nfs/dbraw/zinc/00/68/07/386006807.db2.gz AKISUOZBFNAGKI-DHMWGJHJSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1C[C@H]1C ZINC000414112942 386006808 /nfs/dbraw/zinc/00/68/08/386006808.db2.gz AKISUOZBFNAGKI-DHMWGJHJSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)CCC[NH2+]CCCNc1cccc[nH+]1 ZINC000338444085 386012250 /nfs/dbraw/zinc/01/22/50/386012250.db2.gz MAWFWEGTSJKMOI-UHFFFAOYSA-N 2 2 235.375 2.909 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccc(F)cc1 ZINC000335060389 386024134 /nfs/dbraw/zinc/02/41/34/386024134.db2.gz HLDAUMBYHYEAFD-SMDDNHRTSA-N 2 2 236.334 2.618 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@H]2CCC[C@H](C)CC2)n1C ZINC000518797326 386030575 /nfs/dbraw/zinc/03/05/75/386030575.db2.gz RMBZAPSYSQDCBD-AAEUAGOBSA-N 2 2 235.375 2.787 20 0 BFADLP CCC1CC([NH2+]C[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000336727809 386033318 /nfs/dbraw/zinc/03/33/18/386033318.db2.gz GSRZGFWQRIQXBI-JXQTWKCFSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2(C3CCC3)CCC2)C[N@@H+]1C1CC1 ZINC000414197397 386034380 /nfs/dbraw/zinc/03/43/80/386034380.db2.gz WJZJRRRYXVOSSN-JSGCOSHPSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2(C3CCC3)CCC2)C[N@H+]1C1CC1 ZINC000414197397 386034382 /nfs/dbraw/zinc/03/43/82/386034382.db2.gz WJZJRRRYXVOSSN-JSGCOSHPSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2(C3CCC3)CCC2)C[N@@H+]1C1CC1 ZINC000414197394 386035331 /nfs/dbraw/zinc/03/53/31/386035331.db2.gz WJZJRRRYXVOSSN-GXTWGEPZSA-N 2 2 248.414 2.924 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2(C3CCC3)CCC2)C[N@H+]1C1CC1 ZINC000414197394 386035335 /nfs/dbraw/zinc/03/53/35/386035335.db2.gz WJZJRRRYXVOSSN-GXTWGEPZSA-N 2 2 248.414 2.924 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338692116 386106748 /nfs/dbraw/zinc/10/67/48/386106748.db2.gz IDQBRATYDVUGCU-VNQPRFMTSA-N 2 2 246.398 2.720 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338692116 386106752 /nfs/dbraw/zinc/10/67/52/386106752.db2.gz IDQBRATYDVUGCU-VNQPRFMTSA-N 2 2 246.398 2.720 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338692115 386106825 /nfs/dbraw/zinc/10/68/25/386106825.db2.gz IDQBRATYDVUGCU-KBMXLJTQSA-N 2 2 246.398 2.720 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000338692115 386106829 /nfs/dbraw/zinc/10/68/29/386106829.db2.gz IDQBRATYDVUGCU-KBMXLJTQSA-N 2 2 246.398 2.720 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000287251442 386106958 /nfs/dbraw/zinc/10/69/58/386106958.db2.gz ZLGKCBNJLOACIS-NUEKZKHPSA-N 2 2 246.398 2.862 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338692113 386107105 /nfs/dbraw/zinc/10/71/05/386107105.db2.gz IDQBRATYDVUGCU-BMFZPTHFSA-N 2 2 246.398 2.720 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1C[C@H]1c1ccccc1 ZINC000338692113 386107106 /nfs/dbraw/zinc/10/71/06/386107106.db2.gz IDQBRATYDVUGCU-BMFZPTHFSA-N 2 2 246.398 2.720 20 0 BFADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000334461451 386118151 /nfs/dbraw/zinc/11/81/51/386118151.db2.gz VYIWYVRDVQCFRC-ZDUSSCGKSA-N 2 2 234.387 2.536 20 0 BFADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000334461451 386118154 /nfs/dbraw/zinc/11/81/54/386118154.db2.gz VYIWYVRDVQCFRC-ZDUSSCGKSA-N 2 2 234.387 2.536 20 0 BFADLP CC/C=C/CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000274351673 386092247 /nfs/dbraw/zinc/09/22/47/386092247.db2.gz SPKTWYXDNWXZOA-ONEGZZNKSA-N 2 2 233.359 2.945 20 0 BFADLP [NH3+]CC[C@H]([NH2+]CCC1CCCCC1)C(F)F ZINC000414992755 386158220 /nfs/dbraw/zinc/15/82/20/386158220.db2.gz RMHRQXYEAWWZCV-NSHDSACASA-N 2 2 234.334 2.529 20 0 BFADLP CC[N@H+](CC[NH2+]C(C)(C)C)[C@H](C)C(C)C ZINC000414685763 386172718 /nfs/dbraw/zinc/17/27/18/386172718.db2.gz DQIVZBPJKUKLBJ-GFCCVEGCSA-N 2 2 214.397 2.741 20 0 BFADLP CC[N@@H+](CC[NH2+]C(C)(C)C)[C@H](C)C(C)C ZINC000414685763 386172720 /nfs/dbraw/zinc/17/27/20/386172720.db2.gz DQIVZBPJKUKLBJ-GFCCVEGCSA-N 2 2 214.397 2.741 20 0 BFADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+][C@H](C)CC1CC1)CCC2 ZINC000366207901 386188442 /nfs/dbraw/zinc/18/84/42/386188442.db2.gz FOVRBHQGJCXGFT-BXUZGUMPSA-N 2 2 247.386 2.847 20 0 BFADLP [NH3+][C@@H]1CCC[N@H+](Cc2csc3ccccc23)C1 ZINC000054465525 386127623 /nfs/dbraw/zinc/12/76/23/386127623.db2.gz NPDWSAWVHHXOEC-GFCCVEGCSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+][C@@H]1CCC[N@@H+](Cc2csc3ccccc23)C1 ZINC000054465525 386127627 /nfs/dbraw/zinc/12/76/27/386127627.db2.gz NPDWSAWVHHXOEC-GFCCVEGCSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@@H]1c1ccccc1)[NH+](C)C ZINC000338776125 386129664 /nfs/dbraw/zinc/12/96/64/386129664.db2.gz ACNMZQRKXBUCPJ-DARAHFNDSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@H+]1CC[NH2+]C(C)(C)C ZINC000414697731 386201079 /nfs/dbraw/zinc/20/10/79/386201079.db2.gz QDORHOGCMLHBAD-CYBMUJFWSA-N 2 2 246.398 2.994 20 0 BFADLP C[C@@H]1c2ccccc2CC[N@@H+]1CC[NH2+]C(C)(C)C ZINC000414697731 386201085 /nfs/dbraw/zinc/20/10/85/386201085.db2.gz QDORHOGCMLHBAD-CYBMUJFWSA-N 2 2 246.398 2.994 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1C/C=C\c1ccc(F)cc1 ZINC000347063630 386211819 /nfs/dbraw/zinc/21/18/19/386211819.db2.gz CHAIZKWNRPBTOE-NSRYLSIASA-N 2 2 248.345 2.523 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1C/C=C\c1ccc(F)cc1 ZINC000347063630 386211822 /nfs/dbraw/zinc/21/18/22/386211822.db2.gz CHAIZKWNRPBTOE-NSRYLSIASA-N 2 2 248.345 2.523 20 0 BFADLP C[C@@H](C[NH2+]CCCC1CCCCC1)[NH+](C)C ZINC000336722917 386225777 /nfs/dbraw/zinc/22/57/77/386225777.db2.gz AZEAPZLYBFLQNX-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000132227295 386228765 /nfs/dbraw/zinc/22/87/65/386228765.db2.gz YWMIDCZNXQQWQV-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000132227295 386228771 /nfs/dbraw/zinc/22/87/71/386228771.db2.gz YWMIDCZNXQQWQV-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1CC1(F)F)[NH+](C)C ZINC000638349509 386240020 /nfs/dbraw/zinc/24/00/20/386240020.db2.gz OIICBZHLPALPGY-IJLUTSLNSA-N 2 2 248.361 2.596 20 0 BFADLP CC(C)=CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365637566 386242784 /nfs/dbraw/zinc/24/27/84/386242784.db2.gz LBXXETVOJPUAOM-CYBMUJFWSA-N 2 2 233.359 2.566 20 0 BFADLP CC(C)=CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365637566 386242788 /nfs/dbraw/zinc/24/27/88/386242788.db2.gz LBXXETVOJPUAOM-CYBMUJFWSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H](C[NH2+]C1CC(C)(c2ccccc2)C1)[NH+](C)C ZINC000297315644 386243921 /nfs/dbraw/zinc/24/39/21/386243921.db2.gz BZTBHSHWZDRBRZ-JEYLPNPQSA-N 2 2 246.398 2.646 20 0 BFADLP CCc1ccc(C[N@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347190932 386255285 /nfs/dbraw/zinc/25/52/85/386255285.db2.gz FLTLKIHCWMLKIA-MRXNPFEDSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1ccc(C[N@@H+](C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000347190932 386255290 /nfs/dbraw/zinc/25/52/90/386255290.db2.gz FLTLKIHCWMLKIA-MRXNPFEDSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1cc[nH+]c(N[C@@H]2C[C@@H](C)n3cc[nH+]c32)c1 ZINC000296750086 386197230 /nfs/dbraw/zinc/19/72/30/386197230.db2.gz JRJKKYPIFWTMQG-GHMZBOCLSA-N 2 2 228.299 2.704 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000414696943 386198876 /nfs/dbraw/zinc/19/88/76/386198876.db2.gz QTRWZXJSKRTGJS-KGLIPLIRSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1C1CCC1 ZINC000414696943 386198880 /nfs/dbraw/zinc/19/88/80/386198880.db2.gz QTRWZXJSKRTGJS-KGLIPLIRSA-N 2 2 224.392 2.624 20 0 BFADLP C[C@@H]1C[C@H](C)CC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414696951 386199005 /nfs/dbraw/zinc/19/90/05/386199005.db2.gz BTRSVAIZIPPIPE-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1C[C@H](C)CC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000414696951 386199010 /nfs/dbraw/zinc/19/90/10/386199010.db2.gz BTRSVAIZIPPIPE-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000414696946 386199467 /nfs/dbraw/zinc/19/94/67/386199467.db2.gz QTRWZXJSKRTGJS-ZIAGYGMSSA-N 2 2 224.392 2.624 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000414696946 386199470 /nfs/dbraw/zinc/19/94/70/386199470.db2.gz QTRWZXJSKRTGJS-ZIAGYGMSSA-N 2 2 224.392 2.624 20 0 BFADLP CCn1c[nH+]cc1CNc1cc(C)cc(C)[nH+]1 ZINC000416424225 386301709 /nfs/dbraw/zinc/30/17/09/386301709.db2.gz BIVGYTCYFAETHO-UHFFFAOYSA-N 2 2 230.315 2.527 20 0 BFADLP CC[N@H+](CCc1c[nH+]cn1C)Cc1cccs1 ZINC000289423791 386302944 /nfs/dbraw/zinc/30/29/44/386302944.db2.gz UWSXIZZEKDHMMU-UHFFFAOYSA-N 2 2 249.383 2.546 20 0 BFADLP CCn1c[nH+]cc1CNc1cccc(C2CC2)[nH+]1 ZINC000416429956 386303095 /nfs/dbraw/zinc/30/30/95/386303095.db2.gz YKZVNSACWBNWCA-UHFFFAOYSA-N 2 2 242.326 2.788 20 0 BFADLP CC[N@@H+](CCc1c[nH+]cn1C)Cc1cccs1 ZINC000289423791 386302951 /nfs/dbraw/zinc/30/29/51/386302951.db2.gz UWSXIZZEKDHMMU-UHFFFAOYSA-N 2 2 249.383 2.546 20 0 BFADLP Clc1csc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000335267443 386323106 /nfs/dbraw/zinc/32/31/06/386323106.db2.gz GWBOROQJNQHXOF-SNVBAGLBSA-N 2 2 244.791 2.633 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000336731852 386343477 /nfs/dbraw/zinc/34/34/77/386343477.db2.gz FKLTUNAZSIJMRQ-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC1([NH+](C)C)CCC1 ZINC000336731851 386343693 /nfs/dbraw/zinc/34/36/93/386343693.db2.gz FKLTUNAZSIJMRQ-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccoc1C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336696189 386375048 /nfs/dbraw/zinc/37/50/48/386375048.db2.gz IROQKAYWLALECW-CYBMUJFWSA-N 2 2 236.359 2.504 20 0 BFADLP Cc1ccoc1C[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000336696189 386375050 /nfs/dbraw/zinc/37/50/50/386375050.db2.gz IROQKAYWLALECW-CYBMUJFWSA-N 2 2 236.359 2.504 20 0 BFADLP Cc1ccoc1C[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000336696189 386375052 /nfs/dbraw/zinc/37/50/52/386375052.db2.gz IROQKAYWLALECW-CYBMUJFWSA-N 2 2 236.359 2.504 20 0 BFADLP Cc1ccoc1C[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000336696189 386375055 /nfs/dbraw/zinc/37/50/55/386375055.db2.gz IROQKAYWLALECW-CYBMUJFWSA-N 2 2 236.359 2.504 20 0 BFADLP C[C@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000094079866 386443880 /nfs/dbraw/zinc/44/38/80/386443880.db2.gz NVSRFDRWGJQRKU-LRDDRELGSA-N 2 2 244.382 2.578 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000094075046 386445389 /nfs/dbraw/zinc/44/53/89/386445389.db2.gz ZGVXBJUAKRUANW-GXTWGEPZSA-N 2 2 240.350 2.852 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](CC1CCC1)C(C)C ZINC000414754145 386391714 /nfs/dbraw/zinc/39/17/14/386391714.db2.gz FSTNZIPSJFLPCN-AWEZNQCLSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](CC1CCC1)C(C)C ZINC000414754145 386391717 /nfs/dbraw/zinc/39/17/17/386391717.db2.gz FSTNZIPSJFLPCN-AWEZNQCLSA-N 2 2 226.408 2.870 20 0 BFADLP C[NH+](C)CCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000299096328 386412446 /nfs/dbraw/zinc/41/24/46/386412446.db2.gz BKVHAPWELUIESK-UHFFFAOYSA-N 2 2 240.778 2.724 20 0 BFADLP C[NH+](C)CCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000299096328 386412450 /nfs/dbraw/zinc/41/24/50/386412450.db2.gz BKVHAPWELUIESK-UHFFFAOYSA-N 2 2 240.778 2.724 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000442664826 386413614 /nfs/dbraw/zinc/41/36/14/386413614.db2.gz KTTQJWLDVLVTDV-UHIISALHSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1C[C@H](C)C[C@@H]1c1cccc(F)c1 ZINC000442664826 386413619 /nfs/dbraw/zinc/41/36/19/386413619.db2.gz KTTQJWLDVLVTDV-UHIISALHSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000527355078 386414930 /nfs/dbraw/zinc/41/49/30/386414930.db2.gz QINAVQZUNGEDHA-RBSFLKMASA-N 2 2 238.419 2.744 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000527355078 386414934 /nfs/dbraw/zinc/41/49/34/386414934.db2.gz QINAVQZUNGEDHA-RBSFLKMASA-N 2 2 238.419 2.744 20 0 BFADLP Cc1cc2cc(C[NH2+][C@H](C)[C@H](C)[NH3+])oc2cc1C ZINC000415009346 386416742 /nfs/dbraw/zinc/41/67/42/386416742.db2.gz NWTOMWDXKGVVSK-NWDGAFQWSA-N 2 2 246.354 2.875 20 0 BFADLP Cc1cc2cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])oc2cc1C ZINC000415009349 386418475 /nfs/dbraw/zinc/41/84/75/386418475.db2.gz NWTOMWDXKGVVSK-RYUDHWBXSA-N 2 2 246.354 2.875 20 0 BFADLP Cn1cc[nH+]c1CNc1ccc(C2CCC2)c[nH+]1 ZINC000339566530 386477509 /nfs/dbraw/zinc/47/75/09/386477509.db2.gz YJQFUISISOTUHL-UHFFFAOYSA-N 2 2 242.326 2.695 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000397884255 386529133 /nfs/dbraw/zinc/52/91/33/386529133.db2.gz MNDULECLUJTBSL-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CC(C(C)C)C(C)C)n1C ZINC000519540410 386487446 /nfs/dbraw/zinc/48/74/46/386487446.db2.gz BUHJNJSPVDUFIA-UHFFFAOYSA-N 2 2 237.391 2.746 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC000417353533 386491274 /nfs/dbraw/zinc/49/12/74/386491274.db2.gz JFWWRJMJOUTYAH-UONOGXRCSA-N 2 2 236.403 2.639 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000417351337 386491372 /nfs/dbraw/zinc/49/13/72/386491372.db2.gz CHWZKQCDKZPOSZ-AWEZNQCLSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000417357250 386493400 /nfs/dbraw/zinc/49/34/00/386493400.db2.gz QYEVOUMSOOJRCE-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]Cc1cc(Cl)ccc1Cl)[C@H](C)[NH3+] ZINC000415014720 386500331 /nfs/dbraw/zinc/50/03/31/386500331.db2.gz XFEGWXJOCMRQMD-JGVFFNPUSA-N 2 2 247.169 2.819 20 0 BFADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccsc1Cl ZINC000415050951 386505133 /nfs/dbraw/zinc/50/51/33/386505133.db2.gz FBNAFWATVCQXTM-SECBINFHSA-N 2 2 246.807 2.865 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000415049468 386507288 /nfs/dbraw/zinc/50/72/88/386507288.db2.gz YDEWRYBEPJLHES-NQHOJNORSA-N 2 2 248.345 2.569 20 0 BFADLP C[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000417359318 386510806 /nfs/dbraw/zinc/51/08/06/386510806.db2.gz VLULZFRWVIVJHL-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000415024959 386513395 /nfs/dbraw/zinc/51/33/95/386513395.db2.gz ZGXKXOKIDLBVHV-NEPJUHHUSA-N 2 2 244.338 2.772 20 0 BFADLP CC1(C)C[N@H+](CCCn2cc[nH+]c2)[C@H]2CCC[C@@H]21 ZINC000339714027 386523398 /nfs/dbraw/zinc/52/33/98/386523398.db2.gz ADRVZMCICOYTOC-KBPBESRZSA-N 2 2 247.386 2.784 20 0 BFADLP CC1(C)C[N@@H+](CCCn2cc[nH+]c2)[C@H]2CCC[C@@H]21 ZINC000339714027 386523403 /nfs/dbraw/zinc/52/34/03/386523403.db2.gz ADRVZMCICOYTOC-KBPBESRZSA-N 2 2 247.386 2.784 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000336781251 386580878 /nfs/dbraw/zinc/58/08/78/386580878.db2.gz UEHQCIOZEOXKKV-ZOBORPQBSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000336781251 386580888 /nfs/dbraw/zinc/58/08/88/386580888.db2.gz UEHQCIOZEOXKKV-ZOBORPQBSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1 ZINC000415048848 386535400 /nfs/dbraw/zinc/53/54/00/386535400.db2.gz XMFINTFNIRDMAE-CQSZACIVSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1C ZINC000415046764 386535488 /nfs/dbraw/zinc/53/54/88/386535488.db2.gz VLADSPJEGYDZAA-HNNXBMFYSA-N 2 2 246.398 2.842 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Cl)ccc1F ZINC000414789713 386540629 /nfs/dbraw/zinc/54/06/29/386540629.db2.gz FUGYADJCPIOZEH-LBPRGKRZSA-N 2 2 244.741 2.552 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+]C1CC(C)C1 ZINC000415068908 386550683 /nfs/dbraw/zinc/55/06/83/386550683.db2.gz RRLPWLPRVJYPFC-HGMXIMQMSA-N 2 2 232.371 2.637 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CCCC[NH2+]C2)c1 ZINC000415070234 386551831 /nfs/dbraw/zinc/55/18/31/386551831.db2.gz QERDJBWARMSXNQ-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[NH2+]Cc1ccccc1Cl ZINC000415072954 386560940 /nfs/dbraw/zinc/56/09/40/386560940.db2.gz AMVGBQZVARFMNI-GFCCVEGCSA-N 2 2 240.778 2.803 20 0 BFADLP CCC([NH3+])(CC)C[NH2+]Cc1cc(C)ccc1F ZINC000414810467 386630078 /nfs/dbraw/zinc/63/00/78/386630078.db2.gz OEKXSLLOWQNEJR-UHFFFAOYSA-N 2 2 238.350 2.741 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000414925458 386640313 /nfs/dbraw/zinc/64/03/13/386640313.db2.gz JPVFSHDGHQDBCY-BZNIZROVSA-N 2 2 246.398 2.699 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+]CC1([NH+](C)C)CC1 ZINC000417375254 386645630 /nfs/dbraw/zinc/64/56/30/386645630.db2.gz BPKBBHUVHGTUKB-OAHLLOKOSA-N 2 2 244.382 2.666 20 0 BFADLP C[C@H](c1ccccc1F)[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000335489977 386606773 /nfs/dbraw/zinc/60/67/73/386606773.db2.gz ZHOHBVKAZIGTPH-GFCCVEGCSA-N 2 2 248.345 2.715 20 0 BFADLP CC(C)([NH3+])C[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000414805298 386612550 /nfs/dbraw/zinc/61/25/50/386612550.db2.gz OMTWQPRHCNMLDR-UHFFFAOYSA-N 2 2 244.338 2.774 20 0 BFADLP C[N@H+](Cc1ccc2ccccc2c1)[C@@H]1CC[NH2+]C1 ZINC000040892234 386666083 /nfs/dbraw/zinc/66/60/83/386666083.db2.gz MLXZSGRSLJXYNT-MRXNPFEDSA-N 2 2 240.350 2.634 20 0 BFADLP C[N@@H+](Cc1ccc2ccccc2c1)[C@@H]1CC[NH2+]C1 ZINC000040892234 386666091 /nfs/dbraw/zinc/66/60/91/386666091.db2.gz MLXZSGRSLJXYNT-MRXNPFEDSA-N 2 2 240.350 2.634 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(F)c(F)c1 ZINC000414819231 386672121 /nfs/dbraw/zinc/67/21/21/386672121.db2.gz YDOVCBZOWKWDEB-NSHDSACASA-N 2 2 242.313 2.572 20 0 BFADLP Cc1oc2ccccc2c1C[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414822337 386674282 /nfs/dbraw/zinc/67/42/82/386674282.db2.gz DWPJRRXFKPXKRM-LBPRGKRZSA-N 2 2 244.338 2.583 20 0 BFADLP CC[N@H+](CCNc1cc(C)cc[nH+]1)C(C)C ZINC000336783265 386658463 /nfs/dbraw/zinc/65/84/63/386658463.db2.gz ZXHUEROIMMUVHT-UHFFFAOYSA-N 2 2 221.348 2.532 20 0 BFADLP CC[N@@H+](CCNc1cc(C)cc[nH+]1)C(C)C ZINC000336783265 386658468 /nfs/dbraw/zinc/65/84/68/386658468.db2.gz ZXHUEROIMMUVHT-UHFFFAOYSA-N 2 2 221.348 2.532 20 0 BFADLP CCC[C@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337254041 386688194 /nfs/dbraw/zinc/68/81/94/386688194.db2.gz QGOWOISPTXTKPD-JSGCOSHPSA-N 2 2 234.343 2.723 20 0 BFADLP CCC[C@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000337254041 386688200 /nfs/dbraw/zinc/68/82/00/386688200.db2.gz QGOWOISPTXTKPD-JSGCOSHPSA-N 2 2 234.343 2.723 20 0 BFADLP Cc1ccc(C[NH2+]C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000414829164 386701136 /nfs/dbraw/zinc/70/11/36/386701136.db2.gz KHPKUVAXCJPOPU-MRXNPFEDSA-N 2 2 240.350 2.785 20 0 BFADLP C[C@H](C[NH2+][C@H](Cc1ccccc1)C1CC1)[NH+](C)C ZINC000268834107 386701501 /nfs/dbraw/zinc/70/15/01/386701501.db2.gz DAGVQSDQGGLSLD-CZUORRHYSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@@H](C[NH2+]Cc1ccsc1Cl)C[NH+](C)C ZINC000336760133 386701524 /nfs/dbraw/zinc/70/15/24/386701524.db2.gz LZBZLGPVIPWDSH-VIFPVBQESA-N 2 2 246.807 2.689 20 0 BFADLP CC(C)(C)CC[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414837019 386732551 /nfs/dbraw/zinc/73/25/51/386732551.db2.gz TZDKCZPVODXFMD-CYBMUJFWSA-N 2 2 220.360 2.712 20 0 BFADLP CC(C)c1ccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000414929067 386720416 /nfs/dbraw/zinc/72/04/16/386720416.db2.gz NKLMBJCVOGIBJF-BBRMVZONSA-N 2 2 246.398 2.898 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000044539824 386722258 /nfs/dbraw/zinc/72/22/58/386722258.db2.gz MYHQBMNRJVZXJB-CYBMUJFWSA-N 2 2 244.338 2.746 20 0 BFADLP [NH3+]C[C@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000044539824 386722262 /nfs/dbraw/zinc/72/22/62/386722262.db2.gz MYHQBMNRJVZXJB-CYBMUJFWSA-N 2 2 244.338 2.746 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)C1CCC1 ZINC000325076531 386722490 /nfs/dbraw/zinc/72/24/90/386722490.db2.gz XNYUYNDBCRYDDF-LNSITVRQSA-N 2 2 236.403 2.780 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)C1CCC1 ZINC000325076531 386722497 /nfs/dbraw/zinc/72/24/97/386722497.db2.gz XNYUYNDBCRYDDF-LNSITVRQSA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccsc1Cl ZINC000414842117 386748754 /nfs/dbraw/zinc/74/87/54/386748754.db2.gz NTXLACOSKVMEND-JTQLQIEISA-N 2 2 246.807 2.865 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414930205 386749215 /nfs/dbraw/zinc/74/92/15/386749215.db2.gz OUMQALMFJBQWKI-WBMJQRKESA-N 2 2 244.382 2.652 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000414933817 386791069 /nfs/dbraw/zinc/79/10/69/386791069.db2.gz BCYFZHLNTYJHMP-GDBMZVCRSA-N 2 2 246.398 2.842 20 0 BFADLP C[N@H+](CC[NH2+]C1CC(C)(C)C1)Cc1ccccc1 ZINC000395295969 386810441 /nfs/dbraw/zinc/81/04/41/386810441.db2.gz NDOQOXYAJQPUOM-UHFFFAOYSA-N 2 2 246.398 2.897 20 0 BFADLP C[N@@H+](CC[NH2+]C1CC(C)(C)C1)Cc1ccccc1 ZINC000395295969 386810449 /nfs/dbraw/zinc/81/04/49/386810449.db2.gz NDOQOXYAJQPUOM-UHFFFAOYSA-N 2 2 246.398 2.897 20 0 BFADLP Cc1sccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000293523323 386829906 /nfs/dbraw/zinc/82/99/06/386829906.db2.gz BDHUNZBEWPAFNX-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP Cc1sccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000293523323 386829909 /nfs/dbraw/zinc/82/99/09/386829909.db2.gz BDHUNZBEWPAFNX-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP c1cn(CCC[NH2+][C@H]2CCCC23CCCC3)c[nH+]1 ZINC000328133345 386838679 /nfs/dbraw/zinc/83/86/79/386838679.db2.gz XFRFHVNOECIQPI-AWEZNQCLSA-N 2 2 247.386 2.976 20 0 BFADLP CCCC[N@H+](C)C[C@@H](C)Nc1cc(C)cc[nH+]1 ZINC000341140425 386846515 /nfs/dbraw/zinc/84/65/15/386846515.db2.gz OMIORUWXJJKQKT-CYBMUJFWSA-N 2 2 235.375 2.922 20 0 BFADLP CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C)cc[nH+]1 ZINC000341140425 386846520 /nfs/dbraw/zinc/84/65/20/386846520.db2.gz OMIORUWXJJKQKT-CYBMUJFWSA-N 2 2 235.375 2.922 20 0 BFADLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334844604 386892071 /nfs/dbraw/zinc/89/20/71/386892071.db2.gz JNCXCOKLGIGDAV-OCCSQVGLSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC000334844604 386892073 /nfs/dbraw/zinc/89/20/73/386892073.db2.gz JNCXCOKLGIGDAV-OCCSQVGLSA-N 2 2 236.403 2.637 20 0 BFADLP C[NH+](C)C1(C[NH2+]CC2CCCCC2)CCC1 ZINC000165166444 386875486 /nfs/dbraw/zinc/87/54/86/386875486.db2.gz TXTUASGVMIIVMM-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC[NH+](CC)[C@@H](C)CNc1[nH]c2ccccc2[nH+]1 ZINC000301856126 386883585 /nfs/dbraw/zinc/88/35/85/386883585.db2.gz DAHQQHLAPHHUFN-NSHDSACASA-N 2 2 246.358 2.705 20 0 BFADLP Cc1occc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334840422 386883818 /nfs/dbraw/zinc/88/38/18/386883818.db2.gz GNVFCRWPUXQYCR-CYBMUJFWSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1occc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000334840422 386883822 /nfs/dbraw/zinc/88/38/22/386883822.db2.gz GNVFCRWPUXQYCR-CYBMUJFWSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1occc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000334840427 386884433 /nfs/dbraw/zinc/88/44/33/386884433.db2.gz GNVFCRWPUXQYCR-ZDUSSCGKSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1occc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000334840427 386884438 /nfs/dbraw/zinc/88/44/38/386884438.db2.gz GNVFCRWPUXQYCR-ZDUSSCGKSA-N 2 2 245.326 2.691 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000341338568 386884796 /nfs/dbraw/zinc/88/47/96/386884796.db2.gz AXAGAEAHKALAFX-KBPBESRZSA-N 2 2 236.403 2.948 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000341338568 386884798 /nfs/dbraw/zinc/88/47/98/386884798.db2.gz AXAGAEAHKALAFX-KBPBESRZSA-N 2 2 236.403 2.948 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@H]2C)cc1 ZINC000358390508 386947194 /nfs/dbraw/zinc/94/71/94/386947194.db2.gz DQTVQKGHCMVCQT-IPYPFGDCSA-N 2 2 232.371 2.596 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000358390508 386947197 /nfs/dbraw/zinc/94/71/97/386947197.db2.gz DQTVQKGHCMVCQT-IPYPFGDCSA-N 2 2 232.371 2.596 20 0 BFADLP CCCCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000367995077 386926405 /nfs/dbraw/zinc/92/64/05/386926405.db2.gz LNDXOKNPNDIZGS-VXGBXAGGSA-N 2 2 235.375 2.825 20 0 BFADLP CCCCC[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000367995077 386926414 /nfs/dbraw/zinc/92/64/14/386926414.db2.gz LNDXOKNPNDIZGS-VXGBXAGGSA-N 2 2 235.375 2.825 20 0 BFADLP CCCC1(C[NH2+][C@H]2C[N@H+](CC)C[C@H]2C)CCC1 ZINC000358283751 386927197 /nfs/dbraw/zinc/92/71/97/386927197.db2.gz DJMFZNUOYJTHGE-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC1(C[NH2+][C@H]2C[N@@H+](CC)C[C@H]2C)CCC1 ZINC000358283751 386927199 /nfs/dbraw/zinc/92/71/99/386927199.db2.gz DJMFZNUOYJTHGE-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1([NH+](C)C)CC1 ZINC000418116576 386943655 /nfs/dbraw/zinc/94/36/55/386943655.db2.gz QZCKHGPHWOKQPK-KGLIPLIRSA-N 2 2 236.403 2.663 20 0 BFADLP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccoc1 ZINC000514596335 387008312 /nfs/dbraw/zinc/00/83/12/387008312.db2.gz NXXJOJBBDSMJLK-NSHDSACASA-N 2 2 222.332 2.592 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000358404078 386949660 /nfs/dbraw/zinc/94/96/60/386949660.db2.gz OMEVEOSMUATURR-IMJJTQAJSA-N 2 2 246.398 2.547 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000358404078 386949666 /nfs/dbraw/zinc/94/96/66/386949666.db2.gz OMEVEOSMUATURR-IMJJTQAJSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C[N@@H+]1C1CC1 ZINC000527349887 387054868 /nfs/dbraw/zinc/05/48/68/387054868.db2.gz BHGAVFBRRIAZGL-AAEUAGOBSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C[N@H+]1C1CC1 ZINC000527349887 387054869 /nfs/dbraw/zinc/05/48/69/387054869.db2.gz BHGAVFBRRIAZGL-AAEUAGOBSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246321258 387071584 /nfs/dbraw/zinc/07/15/84/387071584.db2.gz WZKDYYFKQVWGEK-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246321258 387071587 /nfs/dbraw/zinc/07/15/87/387071587.db2.gz WZKDYYFKQVWGEK-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000246321258 387071595 /nfs/dbraw/zinc/07/15/95/387071595.db2.gz WZKDYYFKQVWGEK-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000246321258 387071596 /nfs/dbraw/zinc/07/15/96/387071596.db2.gz WZKDYYFKQVWGEK-KFWWJZLASA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)CC[N@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418121920 387083017 /nfs/dbraw/zinc/08/30/17/387083017.db2.gz DDHZNMYYVQBLLB-UHFFFAOYSA-N 2 2 226.408 2.839 20 0 BFADLP CC(C)CC[N@@H+](C)C(C)(C)C[NH+]1CCCC1 ZINC000418121920 387083020 /nfs/dbraw/zinc/08/30/20/387083020.db2.gz DDHZNMYYVQBLLB-UHFFFAOYSA-N 2 2 226.408 2.839 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccccc1C ZINC000423309898 387145793 /nfs/dbraw/zinc/14/57/93/387145793.db2.gz MLAYXRNOPBYDIF-ZDUSSCGKSA-N 2 2 220.360 2.645 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000423312194 387149040 /nfs/dbraw/zinc/14/90/40/387149040.db2.gz RMDIRPSKQXCRND-HNNXBMFYSA-N 2 2 234.387 2.973 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000423311810 387149392 /nfs/dbraw/zinc/14/93/92/387149392.db2.gz QWQUXXPAYJWNHY-SNVBAGLBSA-N 2 2 242.313 2.615 20 0 BFADLP Cc1ccc([C@@H]([NH2+]C[C@H]([NH3+])C2CC2)C2CCC2)o1 ZINC000423314907 387154253 /nfs/dbraw/zinc/15/42/53/387154253.db2.gz IBQLSIRRHLSBTL-ZFWWWQNUSA-N 2 2 248.370 2.756 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000423316026 387156586 /nfs/dbraw/zinc/15/65/86/387156586.db2.gz XTXOQTYAHXYZOE-OAHLLOKOSA-N 2 2 247.386 2.523 20 0 BFADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423316838 387157522 /nfs/dbraw/zinc/15/75/22/387157522.db2.gz BGVNTVXYDHVPOV-MWLCHTKSSA-N 2 2 232.327 2.739 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Cl)s1 ZINC000423328435 387169961 /nfs/dbraw/zinc/16/99/61/387169961.db2.gz OCIFFDQNAIVMOQ-HTQZYQBOSA-N 2 2 232.780 2.789 20 0 BFADLP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000423328995 387172863 /nfs/dbraw/zinc/17/28/63/387172863.db2.gz OIAAFIHVVIPFFE-SFYZADRCSA-N 2 2 247.169 2.991 20 0 BFADLP COc1ccc(C)cc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000423332881 387178799 /nfs/dbraw/zinc/17/87/99/387178799.db2.gz RJPDZVWDSDCSSY-LBPRGKRZSA-N 2 2 248.370 2.536 20 0 BFADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423336234 387184605 /nfs/dbraw/zinc/18/46/05/387184605.db2.gz UHBQCLBAJMHCES-RKDXNWHRSA-N 2 2 241.404 2.573 20 0 BFADLP Nc1cc(C[NH+]2CCC3(CCCC3)CC2)cc[nH+]1 ZINC000062956797 387187706 /nfs/dbraw/zinc/18/77/06/387187706.db2.gz CPGMIFCHGFGCPN-UHFFFAOYSA-N 2 2 245.370 2.820 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]C1)[C@@H](C)C2 ZINC000423302461 387134390 /nfs/dbraw/zinc/13/43/90/387134390.db2.gz JOACOZKOOLSHAZ-NOLJZWGESA-N 2 2 244.382 2.570 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C)o1 ZINC000423302610 387134977 /nfs/dbraw/zinc/13/49/77/387134977.db2.gz VVAQUMRSWMHVGP-RYUDHWBXSA-N 2 2 224.348 2.756 20 0 BFADLP CCC[C@H]([NH2+]CC[NH+](CC)CC)C1CCC1 ZINC000322525203 387203254 /nfs/dbraw/zinc/20/32/54/387203254.db2.gz KPAOAFUPZSQAJC-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+](CC[NH2+]C1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000300409470 387205751 /nfs/dbraw/zinc/20/57/51/387205751.db2.gz AMBROLDJSTXULP-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+]C1[C@H](C)CCC[C@H]1C)C1CC1 ZINC000300409470 387205753 /nfs/dbraw/zinc/20/57/53/387205753.db2.gz AMBROLDJSTXULP-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423357590 387207632 /nfs/dbraw/zinc/20/76/32/387207632.db2.gz INUHHMGHEFUKKI-SNPRPXQTSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-c2ccccc2)o1 ZINC000423362355 387211993 /nfs/dbraw/zinc/21/19/93/387211993.db2.gz HNZDQFRWRZJORL-NWDGAFQWSA-N 2 2 244.338 2.944 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)o1 ZINC000423360415 387212239 /nfs/dbraw/zinc/21/22/39/387212239.db2.gz LJNWGZHUIPBSHW-OLUVUFQESA-N 2 2 236.359 2.545 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)o1 ZINC000423360417 387212483 /nfs/dbraw/zinc/21/24/83/387212483.db2.gz LJNWGZHUIPBSHW-PUYPPJJSSA-N 2 2 236.359 2.545 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1C ZINC000423367179 387219476 /nfs/dbraw/zinc/21/94/76/387219476.db2.gz QWJDMZDUZAPZLQ-IVMMDQJWSA-N 2 2 246.398 2.952 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423367857 387222047 /nfs/dbraw/zinc/22/20/47/387222047.db2.gz RNFLQQRGRYSQTC-VNHYZAJKSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423370114 387222657 /nfs/dbraw/zinc/22/26/57/387222657.db2.gz UDZDRSWKHUBSGW-RCBQFDQVSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423370117 387223582 /nfs/dbraw/zinc/22/35/82/387223582.db2.gz UDZDRSWKHUBSGW-VBNZEHGJSA-N 2 2 244.382 2.570 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000423373008 387227312 /nfs/dbraw/zinc/22/73/12/387227312.db2.gz GREWSKAYEUFPNU-WOSRLPQWSA-N 2 2 246.398 2.816 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000423403746 387241677 /nfs/dbraw/zinc/24/16/77/387241677.db2.gz ZLQHQNPRGHYBKM-IUODEOHRSA-N 2 2 247.386 2.510 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353627075 387245146 /nfs/dbraw/zinc/24/51/46/387245146.db2.gz JTFXJIZPSGWGRS-IJLUTSLNSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)(C)[C@@H]1CC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353627075 387245149 /nfs/dbraw/zinc/24/51/49/387245149.db2.gz JTFXJIZPSGWGRS-IJLUTSLNSA-N 2 2 247.386 2.681 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353631502 387246452 /nfs/dbraw/zinc/24/64/52/387246452.db2.gz QUYYADBIZGBMNA-CHWSQXEVSA-N 2 2 247.386 2.992 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353631502 387246457 /nfs/dbraw/zinc/24/64/57/387246457.db2.gz QUYYADBIZGBMNA-CHWSQXEVSA-N 2 2 247.386 2.992 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000353654065 387251138 /nfs/dbraw/zinc/25/11/38/387251138.db2.gz ZRDYHLFSMNIEFR-WCQYABFASA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000353654065 387251141 /nfs/dbraw/zinc/25/11/41/387251141.db2.gz ZRDYHLFSMNIEFR-WCQYABFASA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000423465150 387312986 /nfs/dbraw/zinc/31/29/86/387312986.db2.gz MNJIHEBATYSUKA-JQWIXIFHSA-N 2 2 236.359 2.620 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423428292 387254915 /nfs/dbraw/zinc/25/49/15/387254915.db2.gz OHFYBDJICNOQIE-UHOFOFEASA-N 2 2 244.382 2.652 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000423428290 387255404 /nfs/dbraw/zinc/25/54/04/387255404.db2.gz OHFYBDJICNOQIE-DAXOMENPSA-N 2 2 244.382 2.652 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000423375935 387256019 /nfs/dbraw/zinc/25/60/19/387256019.db2.gz YCIJCDQWGIIVNL-KCQAQPDRSA-N 2 2 232.371 2.644 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1C)c1cccs1 ZINC000423375253 387256618 /nfs/dbraw/zinc/25/66/18/387256618.db2.gz XSLKXLJMOVVRCA-SDDRHHMPSA-N 2 2 238.400 2.787 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cs1 ZINC000423375008 387256994 /nfs/dbraw/zinc/25/69/94/387256994.db2.gz XHOYQPQHFONUTH-GAFUQQFSSA-N 2 2 238.400 2.705 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000423379141 387258970 /nfs/dbraw/zinc/25/89/70/387258970.db2.gz GIDACWMXERCHAB-KOLCDFICSA-N 2 2 226.389 2.705 20 0 BFADLP Cc1ccccc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423377416 387259285 /nfs/dbraw/zinc/25/92/85/387259285.db2.gz YSDGIKSAWLJMDS-KCQAQPDRSA-N 2 2 232.371 2.644 20 0 BFADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000423380848 387262444 /nfs/dbraw/zinc/26/24/44/387262444.db2.gz YVAJBNMRCZJCLQ-YUMQZZPRSA-N 2 2 247.169 2.991 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000423384719 387268036 /nfs/dbraw/zinc/26/80/36/387268036.db2.gz QIUPPJGCUKVAOR-TZMCWYRMSA-N 2 2 234.387 2.952 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](CC)c1ccccc1F ZINC000423385128 387269356 /nfs/dbraw/zinc/26/93/56/387269356.db2.gz QNOUJSCBLBMRTL-RISCZKNCSA-N 2 2 238.350 2.864 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000336443804 387272152 /nfs/dbraw/zinc/27/21/52/387272152.db2.gz FWMMBVNJEWWLRJ-VHSXEESVSA-N 2 2 247.367 2.679 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000336443804 387272154 /nfs/dbraw/zinc/27/21/54/387272154.db2.gz FWMMBVNJEWWLRJ-VHSXEESVSA-N 2 2 247.367 2.679 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2c1cccc2C ZINC000423386554 387272265 /nfs/dbraw/zinc/27/22/65/387272265.db2.gz SCHCUHXZUFWDLG-DOMZBBRYSA-N 2 2 232.371 2.570 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccs1 ZINC000336443802 387272853 /nfs/dbraw/zinc/27/28/53/387272853.db2.gz FWMMBVNJEWWLRJ-NXEZZACHSA-N 2 2 247.367 2.679 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccs1 ZINC000336443802 387272854 /nfs/dbraw/zinc/27/28/54/387272854.db2.gz FWMMBVNJEWWLRJ-NXEZZACHSA-N 2 2 247.367 2.679 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](C)c1sccc1C ZINC000423390985 387275456 /nfs/dbraw/zinc/27/54/56/387275456.db2.gz WRUDRUZLVBBDAV-GHMZBOCLSA-N 2 2 226.389 2.705 20 0 BFADLP C[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccccc1SC ZINC000423392065 387277249 /nfs/dbraw/zinc/27/72/49/387277249.db2.gz OAQPFAFZQABXMB-MNOVXSKESA-N 2 2 238.400 2.667 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](C)c1ccccc1C ZINC000423392475 387279696 /nfs/dbraw/zinc/27/96/96/387279696.db2.gz XOPRAXLENFWYSM-OLZOCXBDSA-N 2 2 220.360 2.644 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1C[C@H]1C)[NH+](C)C ZINC000321600259 387281063 /nfs/dbraw/zinc/28/10/63/387281063.db2.gz PZYGZBGRNXWMLG-SYQHCUMBSA-N 2 2 226.408 2.597 20 0 BFADLP CC(C)CC[C@@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000302543461 387284691 /nfs/dbraw/zinc/28/46/91/387284691.db2.gz UFWCTCOPUVJKJR-OAHLLOKOSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)[C@H]1C[C@H]1C ZINC000423437959 387288415 /nfs/dbraw/zinc/28/84/15/387288415.db2.gz USAMYEVOFSXOOL-MPTQWLOMSA-N 2 2 244.382 2.508 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1csc(Cl)c1 ZINC000423440126 387290059 /nfs/dbraw/zinc/29/00/59/387290059.db2.gz APEAKRLIYGHKQK-APPZFPTMSA-N 2 2 232.780 2.789 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)[C@H](C)[NH3+])c1ccccc1F ZINC000423448559 387297452 /nfs/dbraw/zinc/29/74/52/387297452.db2.gz QLFMXWQZTBQTJX-KWBADKCTSA-N 2 2 224.323 2.602 20 0 BFADLP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423450726 387300572 /nfs/dbraw/zinc/30/05/72/387300572.db2.gz UCKLVFGHKDZYCP-UTUOFQBUSA-N 2 2 243.354 2.621 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000353933885 387300758 /nfs/dbraw/zinc/30/07/58/387300758.db2.gz WTQUVOCCWCCBAA-VXGBXAGGSA-N 2 2 249.402 2.932 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@@H](C)[C@@H](C)[NH3+])C2CCC2)o1 ZINC000423453177 387302018 /nfs/dbraw/zinc/30/20/18/387302018.db2.gz XITVKCMMBYJYFN-UHIISALHSA-N 2 2 236.359 2.755 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000423459098 387306103 /nfs/dbraw/zinc/30/61/03/387306103.db2.gz HPSFBCVVEUUWNQ-KOLCDFICSA-N 2 2 249.383 2.684 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC)c1ccc(F)cc1F ZINC000423458182 387307199 /nfs/dbraw/zinc/30/71/99/387307199.db2.gz GNRADDCNSUXTPW-GXFFZTMASA-N 2 2 242.313 2.743 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cs1 ZINC000643502469 387365818 /nfs/dbraw/zinc/36/58/18/387365818.db2.gz HHJZZWWBIIATSK-WCQYABFASA-N 2 2 238.400 2.849 20 0 BFADLP CCC[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000643453347 387368328 /nfs/dbraw/zinc/36/83/28/387368328.db2.gz BMPAQCDAZFXNLZ-GZBFAFLISA-N 2 2 247.386 2.653 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)o1 ZINC000423548525 387370071 /nfs/dbraw/zinc/37/00/71/387370071.db2.gz GQXWKGDYCSIDAB-NWDGAFQWSA-N 2 2 236.359 2.635 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423545787 387370663 /nfs/dbraw/zinc/37/06/63/387370663.db2.gz DRUABDQARUHPEV-CJNGLKHVSA-N 2 2 244.382 2.714 20 0 BFADLP c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000423556874 387374846 /nfs/dbraw/zinc/37/48/46/387374846.db2.gz MWBNIFXBQLORBF-GDBMZVCRSA-N 2 2 244.382 2.796 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1ccsc1 ZINC000423559814 387376077 /nfs/dbraw/zinc/37/60/77/387376077.db2.gz PGFXYELLOJEECZ-OLZOCXBDSA-N 2 2 238.400 2.931 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)C1CC1 ZINC000423495837 387337915 /nfs/dbraw/zinc/33/79/15/387337915.db2.gz CTZHBRKFRLJZCX-NHYWBVRUSA-N 2 2 232.371 2.637 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@H](C)C1CC1 ZINC000423495835 387339095 /nfs/dbraw/zinc/33/90/95/387339095.db2.gz CTZHBRKFRLJZCX-ABAIWWIYSA-N 2 2 232.371 2.637 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000423497079 387340374 /nfs/dbraw/zinc/34/03/74/387340374.db2.gz FYVZICUMDUEUIK-UAXWRAGISA-N 2 2 246.398 2.883 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2(C)CCCCC2)n1C ZINC000515171036 387342106 /nfs/dbraw/zinc/34/21/06/387342106.db2.gz DGCTYYULXHFLTN-UHFFFAOYSA-N 2 2 221.348 2.541 20 0 BFADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643500963 387347939 /nfs/dbraw/zinc/34/79/39/387347939.db2.gz LEMZPCKTLQVVGG-DZGCQCFKSA-N 2 2 248.345 2.545 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501158 387349666 /nfs/dbraw/zinc/34/96/66/387349666.db2.gz YJNSSPRSLKHMID-CZUORRHYSA-N 2 2 244.382 2.714 20 0 BFADLP CCc1ccccc1[C@@H]([NH3+])C[NH2+][C@@H](C)CC ZINC000423515309 387350526 /nfs/dbraw/zinc/35/05/26/387350526.db2.gz XIRQTPZKFWITOS-FZMZJTMJSA-N 2 2 220.360 2.637 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)C1C(C)(C)C1(C)C ZINC000354575767 387398632 /nfs/dbraw/zinc/39/86/32/387398632.db2.gz UUIFXCNSFOGYEY-GFCCVEGCSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)s1 ZINC000643506522 387460572 /nfs/dbraw/zinc/46/05/72/387460572.db2.gz ZTKNYFUXZLNZIW-QMMMGPOBSA-N 2 2 244.791 2.804 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+]CCC1CCCCC1)CC2 ZINC000361610433 387511495 /nfs/dbraw/zinc/51/14/95/387511495.db2.gz MVLPCIPLMGVQGF-AWEZNQCLSA-N 2 2 247.386 2.758 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@H](C)C1(C)CC1)CCC2 ZINC000361670687 387520649 /nfs/dbraw/zinc/52/06/49/387520649.db2.gz KSXFEHIPEFEGJC-OLZOCXBDSA-N 2 2 247.386 2.847 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)C1(C)CC1 ZINC000361669382 387520740 /nfs/dbraw/zinc/52/07/40/387520740.db2.gz BCESZSJWRZLIRB-NWDGAFQWSA-N 2 2 233.359 2.539 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]CC[NH2+]C2CC2)s1 ZINC000643505883 387464042 /nfs/dbraw/zinc/46/40/42/387464042.db2.gz CJNGFFUOLRMZQE-JTQLQIEISA-N 2 2 238.400 2.713 20 0 BFADLP C[C@H]([NH2+]CC[NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000643505865 387464170 /nfs/dbraw/zinc/46/41/70/387464170.db2.gz BWUIWGGLGPOBGB-JTQLQIEISA-N 2 2 238.762 2.743 20 0 BFADLP CC(C)C[C@H](C)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000304369132 387470931 /nfs/dbraw/zinc/47/09/31/387470931.db2.gz FRHRXIREBVWQQY-GXTWGEPZSA-N 2 2 220.360 2.711 20 0 BFADLP C[C@H]([NH2+]CC[NH2+]C1CC1)C(C)(C)c1ccccc1 ZINC000643507224 387474673 /nfs/dbraw/zinc/47/46/73/387474673.db2.gz WKPMNFQSNRDHSY-ZDUSSCGKSA-N 2 2 246.398 2.694 20 0 BFADLP CCC[C@H]([NH2+]CC[NH2+]C1CC1)c1ccsc1 ZINC000643507904 387480498 /nfs/dbraw/zinc/48/04/98/387480498.db2.gz VSWIFZDAKRIIBL-ZDUSSCGKSA-N 2 2 238.400 2.931 20 0 BFADLP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CC[NH2+]C1CC1 ZINC000643507887 387480644 /nfs/dbraw/zinc/48/06/44/387480644.db2.gz VANQSTODJCJEGJ-MAZHCROVSA-N 2 2 244.382 2.520 20 0 BFADLP CC[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccsc1 ZINC000643508031 387482031 /nfs/dbraw/zinc/48/20/31/387482031.db2.gz CBYWMCALEZIXRV-GFCCVEGCSA-N 2 2 224.373 2.541 20 0 BFADLP Cc1occc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643472198 387484300 /nfs/dbraw/zinc/48/43/00/387484300.db2.gz HAWCHJPSEWGXNG-CABCVRRESA-N 2 2 242.322 2.822 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CCC1 ZINC000355131547 387485982 /nfs/dbraw/zinc/48/59/82/387485982.db2.gz ZKEAWNHVVVVSMS-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CCC1 ZINC000355131547 387485983 /nfs/dbraw/zinc/48/59/83/387485983.db2.gz ZKEAWNHVVVVSMS-SWLSCSKDSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1occc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000643472199 387486107 /nfs/dbraw/zinc/48/61/07/387486107.db2.gz HAWCHJPSEWGXNG-GJZGRUSLSA-N 2 2 242.322 2.822 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[N@H+](C)CCCC1(C)C)C1CCC1 ZINC000355146286 387487614 /nfs/dbraw/zinc/48/76/14/387487614.db2.gz BVPPIENMMACMOD-TZMCWYRMSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C)C1CCC1 ZINC000355146286 387487616 /nfs/dbraw/zinc/48/76/16/387487616.db2.gz BVPPIENMMACMOD-TZMCWYRMSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H](C)C[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771634 387585083 /nfs/dbraw/zinc/58/50/83/387585083.db2.gz FSMHBPADVJFBAY-AWEZNQCLSA-N 2 2 226.408 2.744 20 0 BFADLP CCC[N@H+](C)C[C@@H]1CC[NH+](C/C=C(\C)Cl)C1 ZINC000528398579 387587738 /nfs/dbraw/zinc/58/77/38/387587738.db2.gz HQOKQGUVOGDEPF-YFTXEMMHSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C(\C)Cl)C1 ZINC000528398579 387587741 /nfs/dbraw/zinc/58/77/41/387587741.db2.gz HQOKQGUVOGDEPF-YFTXEMMHSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[NH+](C)C[C@@H]1CC[N@H+](C/C=C(\C)Cl)C1 ZINC000528398579 387587745 /nfs/dbraw/zinc/58/77/45/387587745.db2.gz HQOKQGUVOGDEPF-YFTXEMMHSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C(\C)Cl)C1 ZINC000528398579 387587748 /nfs/dbraw/zinc/58/77/48/387587748.db2.gz HQOKQGUVOGDEPF-YFTXEMMHSA-N 2 2 244.810 2.793 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+]CCn1cc[nH+]c1 ZINC000041119340 387592377 /nfs/dbraw/zinc/59/23/77/387592377.db2.gz VDGLMTHPDFTUKG-UHFFFAOYSA-N 2 2 237.391 2.934 20 0 BFADLP CCc1ccc([C@H](CC)[NH2+]CC[NH+](C)C)cc1 ZINC000037223524 387562257 /nfs/dbraw/zinc/56/22/57/387562257.db2.gz NKGFONYBQGDMAG-HNNXBMFYSA-N 2 2 234.387 2.851 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000355682955 387567127 /nfs/dbraw/zinc/56/71/27/387567127.db2.gz RGQKDJBJZDLAGX-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)C1 ZINC000355682955 387567132 /nfs/dbraw/zinc/56/71/32/387567132.db2.gz RGQKDJBJZDLAGX-GJZGRUSLSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000422734254 387643216 /nfs/dbraw/zinc/64/32/16/387643216.db2.gz SQBXIGCAWBNWKR-WQVCFCJDSA-N 2 2 244.382 2.652 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC000376517091 387646844 /nfs/dbraw/zinc/64/68/44/387646844.db2.gz HJJPCPUSVFGYSY-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC000376517091 387646846 /nfs/dbraw/zinc/64/68/46/387646846.db2.gz HJJPCPUSVFGYSY-KGLIPLIRSA-N 2 2 238.419 2.981 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043326488 387651034 /nfs/dbraw/zinc/65/10/34/387651034.db2.gz LKXNEHAALNKGNA-LSDHHAIUSA-N 2 2 232.371 2.869 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043326486 387652314 /nfs/dbraw/zinc/65/23/14/387652314.db2.gz LKXNEHAALNKGNA-HUUCEWRRSA-N 2 2 232.371 2.869 20 0 BFADLP C[C@@H]([NH2+][C@H]1CSc2ccccc21)[C@@H]1CCC[NH2+]1 ZINC000422770037 387669967 /nfs/dbraw/zinc/66/99/67/387669967.db2.gz WFFWOBMLDAXLRQ-WXHSDQCUSA-N 2 2 248.395 2.564 20 0 BFADLP C[C@H]([NH2+][C@H]1CSc2ccccc21)[C@H]1CCC[NH2+]1 ZINC000422770035 387671122 /nfs/dbraw/zinc/67/11/22/387671122.db2.gz WFFWOBMLDAXLRQ-UHTWSYAYSA-N 2 2 248.395 2.564 20 0 BFADLP CC[C@H](F)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000440762351 387685285 /nfs/dbraw/zinc/68/52/85/387685285.db2.gz HQJYSPPHHQNUKZ-QWHCGFSZSA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@H](F)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000440762351 387685289 /nfs/dbraw/zinc/68/52/89/387685289.db2.gz HQJYSPPHHQNUKZ-QWHCGFSZSA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@H](F)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000440762351 387685295 /nfs/dbraw/zinc/68/52/95/387685295.db2.gz HQJYSPPHHQNUKZ-QWHCGFSZSA-N 2 2 230.371 2.541 20 0 BFADLP CC[C@H](F)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000440762351 387685299 /nfs/dbraw/zinc/68/52/99/387685299.db2.gz HQJYSPPHHQNUKZ-QWHCGFSZSA-N 2 2 230.371 2.541 20 0 BFADLP C1CC1[N@@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000044683916 387689125 /nfs/dbraw/zinc/68/91/25/387689125.db2.gz RNZYVOHLGCYYGI-ZDUSSCGKSA-N 2 2 222.376 2.536 20 0 BFADLP C1CC1[N@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000044683916 387689133 /nfs/dbraw/zinc/68/91/33/387689133.db2.gz RNZYVOHLGCYYGI-ZDUSSCGKSA-N 2 2 222.376 2.536 20 0 BFADLP CC1(C[NH2+]C[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000527753271 387691560 /nfs/dbraw/zinc/69/15/60/387691560.db2.gz RXZVIAWSRCXSQD-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CC1(C[NH2+]C[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000527753271 387691567 /nfs/dbraw/zinc/69/15/67/387691567.db2.gz RXZVIAWSRCXSQD-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP c1cc(C[NH2+]C[C@@H]2CC[N@@H+]2C2CCCCC2)c[nH]1 ZINC000527751567 387692472 /nfs/dbraw/zinc/69/24/72/387692472.db2.gz JNBMZCBFKZWTSV-HNNXBMFYSA-N 2 2 247.386 2.511 20 0 BFADLP c1cc(C[NH2+]C[C@@H]2CC[N@H+]2C2CCCCC2)c[nH]1 ZINC000527751567 387692475 /nfs/dbraw/zinc/69/24/75/387692475.db2.gz JNBMZCBFKZWTSV-HNNXBMFYSA-N 2 2 247.386 2.511 20 0 BFADLP CCCC(CCC)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000377798028 387748873 /nfs/dbraw/zinc/74/88/73/387748873.db2.gz CPNBHUGMPMFCPK-GFCCVEGCSA-N 2 2 235.375 2.825 20 0 BFADLP CCCC(CCC)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000377798028 387748876 /nfs/dbraw/zinc/74/88/76/387748876.db2.gz CPNBHUGMPMFCPK-GFCCVEGCSA-N 2 2 235.375 2.825 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(Cl)ccc1Cl ZINC000643525879 387754366 /nfs/dbraw/zinc/75/43/66/387754366.db2.gz GPCWYKPTWGHHKQ-JGVFFNPUSA-N 2 2 247.169 2.991 20 0 BFADLP CC[C@@H](F)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000440780551 387697245 /nfs/dbraw/zinc/69/72/45/387697245.db2.gz GXFXRSUIGRMCOL-ZIAGYGMSSA-N 2 2 242.382 2.685 20 0 BFADLP CC[C@@H](F)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000440780551 387697247 /nfs/dbraw/zinc/69/72/47/387697247.db2.gz GXFXRSUIGRMCOL-ZIAGYGMSSA-N 2 2 242.382 2.685 20 0 BFADLP CC[NH+](CC)[C@@H](C)CNc1cccc(C)[nH+]1 ZINC000157046162 387722418 /nfs/dbraw/zinc/72/24/18/387722418.db2.gz RNQZBMJMGMQJME-LBPRGKRZSA-N 2 2 221.348 2.532 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1C[C@H]1C ZINC000527810521 387731493 /nfs/dbraw/zinc/73/14/93/387731493.db2.gz OSXMUABLKPMVIB-UXOAXIEHSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1C[C@H]1C ZINC000527810521 387731499 /nfs/dbraw/zinc/73/14/99/387731499.db2.gz OSXMUABLKPMVIB-UXOAXIEHSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527806341 387732485 /nfs/dbraw/zinc/73/24/85/387732485.db2.gz JHCNCBHGJANULI-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527806341 387732491 /nfs/dbraw/zinc/73/24/91/387732491.db2.gz JHCNCBHGJANULI-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCCn2cc[nH+]c21)[C@H]1CC12CC2 ZINC000527868887 387740512 /nfs/dbraw/zinc/74/05/12/387740512.db2.gz UOADHBMNURKUNY-YNEHKIRRSA-N 2 2 245.370 2.539 20 0 BFADLP CC(C)CC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccoc1 ZINC000643527696 387768641 /nfs/dbraw/zinc/76/86/41/387768641.db2.gz REFSVVZHLDNYOS-WCQYABFASA-N 2 2 224.348 2.694 20 0 BFADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528989 387772160 /nfs/dbraw/zinc/77/21/60/387772160.db2.gz SHXDTIJOGURUST-IUCAKERBSA-N 2 2 241.404 2.573 20 0 BFADLP CSc1ccc([C@@H](C)[NH2+]C[C@H](C)[NH3+])cc1F ZINC000643528812 387772238 /nfs/dbraw/zinc/77/22/38/387772238.db2.gz PETBILZUPNBKTR-DTWKUNHWSA-N 2 2 242.363 2.545 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CC12CC2 ZINC000527893062 387775575 /nfs/dbraw/zinc/77/55/75/387775575.db2.gz BYDVCEYWQSPEOT-AEGPPILISA-N 2 2 248.414 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CC12CC2 ZINC000527893062 387775581 /nfs/dbraw/zinc/77/55/81/387775581.db2.gz BYDVCEYWQSPEOT-AEGPPILISA-N 2 2 248.414 2.782 20 0 BFADLP CC(C)C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccs1 ZINC000422937352 387783711 /nfs/dbraw/zinc/78/37/11/387783711.db2.gz GCBKGXYJXBEUFT-VXGBXAGGSA-N 2 2 238.400 2.787 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527980613 387798792 /nfs/dbraw/zinc/79/87/92/387798792.db2.gz ITOJSWUOFLAQLK-IIAWOOMASA-N 2 2 248.414 2.805 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC[C@@H]1CC=CCC1 ZINC000527980613 387798808 /nfs/dbraw/zinc/79/88/08/387798808.db2.gz ITOJSWUOFLAQLK-IIAWOOMASA-N 2 2 248.414 2.805 20 0 BFADLP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528003995 387809712 /nfs/dbraw/zinc/80/97/12/387809712.db2.gz UJZDUFDJBMWTIN-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@@H]1CCC12CCC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528003995 387809719 /nfs/dbraw/zinc/80/97/19/387809719.db2.gz UJZDUFDJBMWTIN-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528003989 387809838 /nfs/dbraw/zinc/80/98/38/387809838.db2.gz UJZDUFDJBMWTIN-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@H]1CCC12CCC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528003989 387809844 /nfs/dbraw/zinc/80/98/44/387809844.db2.gz UJZDUFDJBMWTIN-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000442658883 387810654 /nfs/dbraw/zinc/81/06/54/387810654.db2.gz AGCUUCUKNIVFFX-SUNKGSAMSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CC[C@@H](C)[C@H]1c1cccc(F)c1 ZINC000442658883 387810656 /nfs/dbraw/zinc/81/06/56/387810656.db2.gz AGCUUCUKNIVFFX-SUNKGSAMSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000442658881 387810901 /nfs/dbraw/zinc/81/09/01/387810901.db2.gz AGCUUCUKNIVFFX-MJVIPROJSA-N 2 2 236.334 2.556 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CC[C@H](C)[C@H]1c1cccc(F)c1 ZINC000442658881 387810902 /nfs/dbraw/zinc/81/09/02/387810902.db2.gz AGCUUCUKNIVFFX-MJVIPROJSA-N 2 2 236.334 2.556 20 0 BFADLP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H](C)[NH3+])oc2c1 ZINC000643526701 387758018 /nfs/dbraw/zinc/75/80/18/387758018.db2.gz FAESOGNLNLYMPM-MNOVXSKESA-N 2 2 232.327 2.739 20 0 BFADLP CC(C)C[C@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527859325 387760726 /nfs/dbraw/zinc/76/07/26/387760726.db2.gz OSDDSOGQWKFIEU-MJBXVCDLSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000309555045 387820259 /nfs/dbraw/zinc/82/02/59/387820259.db2.gz JLJOMZBBRGBBPR-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000309555045 387820262 /nfs/dbraw/zinc/82/02/62/387820262.db2.gz JLJOMZBBRGBBPR-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000309555044 387821061 /nfs/dbraw/zinc/82/10/61/387821061.db2.gz JLJOMZBBRGBBPR-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000309555044 387821082 /nfs/dbraw/zinc/82/10/82/387821082.db2.gz JLJOMZBBRGBBPR-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]Cc1coc2ccccc12)[C@H]1CCC[NH2+]1 ZINC000422974722 387824501 /nfs/dbraw/zinc/82/45/01/387824501.db2.gz ABQMDNSFJQTHBO-SMDDNHRTSA-N 2 2 244.338 2.663 20 0 BFADLP CCCC[N@H+](C)CCNc1cccc(C)[nH+]1 ZINC000157539469 387826844 /nfs/dbraw/zinc/82/68/44/387826844.db2.gz JKFWTGOTETXTEZ-UHFFFAOYSA-N 2 2 221.348 2.534 20 0 BFADLP CCCC[N@@H+](C)CCNc1cccc(C)[nH+]1 ZINC000157539469 387826849 /nfs/dbraw/zinc/82/68/49/387826849.db2.gz JKFWTGOTETXTEZ-UHFFFAOYSA-N 2 2 221.348 2.534 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CCCC12CC2)[NH+](C)C ZINC000564102992 387831837 /nfs/dbraw/zinc/83/18/37/387831837.db2.gz WSYNVVNGEJCNBW-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@@H](C[NH2+][C@H]1CCCC12CC2)[NH+](C)C ZINC000564102986 387832666 /nfs/dbraw/zinc/83/26/66/387832666.db2.gz WSYNVVNGEJCNBW-KBPBESRZSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000648432432 387843973 /nfs/dbraw/zinc/84/39/73/387843973.db2.gz JJNHRRPEBJFUMO-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)[C@H]1CCCC[C@H]1C ZINC000648432432 387843977 /nfs/dbraw/zinc/84/39/77/387843977.db2.gz JJNHRRPEBJFUMO-QPSCCSFWSA-N 2 2 238.419 2.885 20 0 BFADLP c1ccc([C@@H](CC2CCC2)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000423045015 387856098 /nfs/dbraw/zinc/85/60/98/387856098.db2.gz RWLAIBVVFBWIRC-JKSUJKDBSA-N 2 2 244.382 2.869 20 0 BFADLP CC1(C)CC([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000433093382 387864383 /nfs/dbraw/zinc/86/43/83/387864383.db2.gz QMWKZDOZEGOGIY-AWEZNQCLSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000433093382 387864387 /nfs/dbraw/zinc/86/43/87/387864387.db2.gz QMWKZDOZEGOGIY-AWEZNQCLSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000053448150 387817586 /nfs/dbraw/zinc/81/75/86/387817586.db2.gz TYKUIZYKOYSAGU-KGLIPLIRSA-N 2 2 246.398 2.821 20 0 BFADLP CC[C@@H](C)[NH2+]C[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000053448150 387817591 /nfs/dbraw/zinc/81/75/91/387817591.db2.gz TYKUIZYKOYSAGU-KGLIPLIRSA-N 2 2 246.398 2.821 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1C[C@H](F)C[NH2+]1)C1CCCCCC1 ZINC000643538343 387878167 /nfs/dbraw/zinc/87/81/67/387878167.db2.gz HGKIUDUIWVMTDG-XBFCOCLRSA-N 2 2 242.382 2.635 20 0 BFADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCC[C@H]2F)c2ccccc21 ZINC000423144739 387919501 /nfs/dbraw/zinc/91/95/01/387919501.db2.gz HUMFKIKVXNRYGI-YIYPIFLZSA-N 2 2 234.318 2.611 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000300235423 387919574 /nfs/dbraw/zinc/91/95/74/387919574.db2.gz AJABRQXPMWSJNN-MJBXVCDLSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3C[C@H]4C[C@H]4C3)n2c1 ZINC000424203367 387929148 /nfs/dbraw/zinc/92/91/48/387929148.db2.gz KSLJDNYSODRSFN-CLLJXQQHSA-N 2 2 241.338 2.531 20 0 BFADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CC[NH3+])cc1 ZINC000423179203 387965792 /nfs/dbraw/zinc/96/57/92/387965792.db2.gz JESJUKLWCFJMLE-LLVKDONJSA-N 2 2 238.400 2.796 20 0 BFADLP c1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCC[NH2+]C1 ZINC000423182176 387967890 /nfs/dbraw/zinc/96/78/90/387967890.db2.gz GMWQWTFHGHNUBX-HOCLYGCPSA-N 2 2 244.382 2.796 20 0 BFADLP C[C@@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2)o1 ZINC000423186493 387970787 /nfs/dbraw/zinc/97/07/87/387970787.db2.gz OLZXIXRJAFMPLS-LLVKDONJSA-N 2 2 230.311 2.556 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+]C2)s1 ZINC000423196624 387981826 /nfs/dbraw/zinc/98/18/26/387981826.db2.gz VSYPAFWFEXQEFL-WDEREUQCSA-N 2 2 238.400 2.713 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCC2 ZINC000423197202 387981254 /nfs/dbraw/zinc/98/12/54/387981254.db2.gz YIRTZKODCVMVSH-WBMJQRKESA-N 2 2 244.382 2.578 20 0 BFADLP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CC[NH3+] ZINC000423188752 387972650 /nfs/dbraw/zinc/97/26/50/387972650.db2.gz QGTJPNPLZOSASL-LLVKDONJSA-N 2 2 246.354 2.913 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)cc1 ZINC000423188333 387973131 /nfs/dbraw/zinc/97/31/31/387973131.db2.gz LORWUZGLXQFIQN-HOTGVXAUSA-N 2 2 244.382 2.788 20 0 BFADLP CC1(C)C[C@H]([NH2+][C@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423190767 387976011 /nfs/dbraw/zinc/97/60/11/387976011.db2.gz OERDRARICHPLNC-WFASDCNBSA-N 2 2 244.382 2.751 20 0 BFADLP C[NH2+]CCC[NH2+][C@H](C)c1csc(C(C)C)n1 ZINC000423209032 387993509 /nfs/dbraw/zinc/99/35/09/387993509.db2.gz ZMUFSILRKFJTCN-SNVBAGLBSA-N 2 2 241.404 2.527 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)c2sccc21 ZINC000423212236 387995155 /nfs/dbraw/zinc/99/51/55/387995155.db2.gz JOMLRIJCXSOZPY-SCVCMEIPSA-N 2 2 236.384 2.638 20 0 BFADLP Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1C ZINC000423210790 387995223 /nfs/dbraw/zinc/99/52/23/387995223.db2.gz XMJQBNRWRCBSPN-KGLIPLIRSA-N 2 2 232.371 2.624 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000423222907 388004433 /nfs/dbraw/zinc/00/44/33/388004433.db2.gz DEKWIOICZRNAQN-QMMMGPOBSA-N 2 2 247.169 2.863 20 0 BFADLP C[NH2+]CC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000423223128 388004501 /nfs/dbraw/zinc/00/45/01/388004501.db2.gz DYCCGQYYQWEHNR-CQSZACIVSA-N 2 2 220.360 2.583 20 0 BFADLP C[NH2+]CC[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000423223437 388005966 /nfs/dbraw/zinc/00/59/66/388005966.db2.gz GMBWSNGKYYQUMK-NSHDSACASA-N 2 2 232.327 2.611 20 0 BFADLP CC(C)c1nc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])cs1 ZINC000423226601 388009510 /nfs/dbraw/zinc/00/95/10/388009510.db2.gz RKMATNFJBNBOON-VHSXEESVSA-N 2 2 241.404 2.654 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000156694990 388023701 /nfs/dbraw/zinc/02/37/01/388023701.db2.gz OLCQYZDRNYUBGN-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000156694990 388023705 /nfs/dbraw/zinc/02/37/05/388023705.db2.gz OLCQYZDRNYUBGN-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC1(C)C[C@H]([NH2+]C[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423243621 388026196 /nfs/dbraw/zinc/02/61/96/388026196.db2.gz WOTZTUMPNMACMH-WFASDCNBSA-N 2 2 244.382 2.751 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081623893 388011525 /nfs/dbraw/zinc/01/15/25/388011525.db2.gz ZYQPHFYTNWRBNK-LSDHHAIUSA-N 2 2 238.419 2.887 20 0 BFADLP CCc1ccc([C@@H](CC)[NH2+]CC[NH2+]C)cc1 ZINC000423227172 388011811 /nfs/dbraw/zinc/01/18/11/388011811.db2.gz USFKAQQXABBHMT-CQSZACIVSA-N 2 2 220.360 2.509 20 0 BFADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CC[NH2+]C ZINC000423227513 388012017 /nfs/dbraw/zinc/01/20/17/388012017.db2.gz WBHHPVLIHOOIRJ-LLVKDONJSA-N 2 2 246.354 2.865 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C(C)C ZINC000156629328 388013211 /nfs/dbraw/zinc/01/32/11/388013211.db2.gz QCZUUBRQYAEAFG-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000156629328 388013213 /nfs/dbraw/zinc/01/32/13/388013213.db2.gz QCZUUBRQYAEAFG-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](c1ccccc1)C(C)C ZINC000423242936 388025928 /nfs/dbraw/zinc/02/59/28/388025928.db2.gz JQVYDHRUGTXTLK-AWEZNQCLSA-N 2 2 220.360 2.583 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](CC)c1cccc(Cl)c1 ZINC000423236419 388020111 /nfs/dbraw/zinc/02/01/11/388020111.db2.gz CIEPRRFOAXTZNQ-CYBMUJFWSA-N 2 2 240.778 2.990 20 0 BFADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)[C@H]1C[C@@H]1C ZINC000423243135 388026088 /nfs/dbraw/zinc/02/60/88/388026088.db2.gz GHNCDDJNDOTQKU-MXAVVETBSA-N 2 2 232.371 2.711 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccc1F ZINC000423237567 388021482 /nfs/dbraw/zinc/02/14/82/388021482.db2.gz PVYRQGIVBHYGMC-RISCZKNCSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423236918 388021546 /nfs/dbraw/zinc/02/15/46/388021546.db2.gz PEYYUFHBYXBPEC-JMSVASOKSA-N 2 2 230.355 2.577 20 0 BFADLP CCC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccsc1 ZINC000423239859 388022224 /nfs/dbraw/zinc/02/22/24/388022224.db2.gz SRPFRBVWIGWMBF-OLZOCXBDSA-N 2 2 238.400 2.931 20 0 BFADLP [NH3+][C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)c1ccccc1 ZINC000423239151 388022919 /nfs/dbraw/zinc/02/29/19/388022919.db2.gz AVMRQJUCMDQZCX-ARFHVFGLSA-N 2 2 244.382 2.855 20 0 BFADLP C[C@@H](Cc1ccoc1)[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000423239905 388022937 /nfs/dbraw/zinc/02/29/37/388022937.db2.gz BVCHIWPTESLSTA-SWLSCSKDSA-N 2 2 244.338 2.500 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000246236049 388023449 /nfs/dbraw/zinc/02/34/49/388023449.db2.gz NLOLIEJEPISTPE-HUUCEWRRSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@@H](C)C[N@H+]1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000246236049 388023451 /nfs/dbraw/zinc/02/34/51/388023451.db2.gz NLOLIEJEPISTPE-HUUCEWRRSA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@H]([NH2+]CC[NH2+]CC)c1ccsc1 ZINC000423250867 388033474 /nfs/dbraw/zinc/03/34/74/388033474.db2.gz UVQVREBJBUMMGX-LBPRGKRZSA-N 2 2 226.389 2.788 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000423252539 388033563 /nfs/dbraw/zinc/03/35/63/388033563.db2.gz XXDWJXYXYNRNQT-TZMCWYRMSA-N 2 2 232.371 2.742 20 0 BFADLP CC(C)C1CC([NH2+]C[C@@H]([NH3+])c2ccccc2)C1 ZINC000423254342 388035161 /nfs/dbraw/zinc/03/51/61/388035161.db2.gz ZZJIEHSZDYENAF-YMAMQOFZSA-N 2 2 232.371 2.711 20 0 BFADLP CC1(C)C[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423243619 388026344 /nfs/dbraw/zinc/02/63/44/388026344.db2.gz WOTZTUMPNMACMH-IUODEOHRSA-N 2 2 244.382 2.751 20 0 BFADLP CC[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1F ZINC000423274059 388053771 /nfs/dbraw/zinc/05/37/71/388053771.db2.gz JQZZBNMHAGVZIH-KBPBESRZSA-N 2 2 236.334 2.604 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000083640325 388056330 /nfs/dbraw/zinc/05/63/30/388056330.db2.gz PBZXJGKFHDGDEP-HZSPNIEDSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000083640325 388056333 /nfs/dbraw/zinc/05/63/33/388056333.db2.gz PBZXJGKFHDGDEP-HZSPNIEDSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000453379525 388063792 /nfs/dbraw/zinc/06/37/92/388063792.db2.gz YSKSAAXJMZCJLA-YWPYICTPSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C)C1CCCC1 ZINC000453379525 388063796 /nfs/dbraw/zinc/06/37/96/388063796.db2.gz YSKSAAXJMZCJLA-YWPYICTPSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCCC1(C)C)C1CC1 ZINC000453382305 388066347 /nfs/dbraw/zinc/06/63/47/388066347.db2.gz BMLRAWXRRMCHNQ-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCCC1(C)C)C1CC1 ZINC000453382305 388066350 /nfs/dbraw/zinc/06/63/50/388066350.db2.gz BMLRAWXRRMCHNQ-ZDUSSCGKSA-N 2 2 224.392 2.639 20 0 BFADLP CCc1cccnc1[C@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423283913 388067100 /nfs/dbraw/zinc/06/71/00/388067100.db2.gz FWAYWLZYDIBSNO-LBPRGKRZSA-N 2 2 249.402 2.812 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453393821 388068533 /nfs/dbraw/zinc/06/85/33/388068533.db2.gz IKYKCEDDSZEKLZ-OCCSQVGLSA-N 2 2 236.403 2.663 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453393821 388068540 /nfs/dbraw/zinc/06/85/40/388068540.db2.gz IKYKCEDDSZEKLZ-OCCSQVGLSA-N 2 2 236.403 2.663 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(F)c1F ZINC000423285908 388069870 /nfs/dbraw/zinc/06/98/70/388069870.db2.gz ZTIUKLFTVKEFLC-CABZTGNLSA-N 2 2 242.313 2.599 20 0 BFADLP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccccc1F ZINC000423287005 388070744 /nfs/dbraw/zinc/07/07/44/388070744.db2.gz JVILEXVOEVJSML-LLVKDONJSA-N 2 2 238.350 2.994 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ncccc1CC ZINC000423296739 388078150 /nfs/dbraw/zinc/07/81/50/388078150.db2.gz HPOQKXYCHNTBIT-GXTWGEPZSA-N 2 2 249.402 2.812 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1C ZINC000084517053 388079563 /nfs/dbraw/zinc/07/95/63/388079563.db2.gz RZNIPZITBZBPGY-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP Cc1cc(C)c(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1C ZINC000084517053 388079566 /nfs/dbraw/zinc/07/95/66/388079566.db2.gz RZNIPZITBZBPGY-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cncc(C)c1 ZINC000423298025 388079771 /nfs/dbraw/zinc/07/97/71/388079771.db2.gz MVGUDJSUKRELAP-TZMCWYRMSA-N 2 2 235.375 2.558 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+]1C1CC1)C1CC1 ZINC000447604104 388082134 /nfs/dbraw/zinc/08/21/34/388082134.db2.gz YPJHTASQGZGSBI-HUUCEWRRSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCC[N@H+]1C1CC1)C1CC1 ZINC000447604104 388082136 /nfs/dbraw/zinc/08/21/36/388082136.db2.gz YPJHTASQGZGSBI-HUUCEWRRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1)C1(C)CC1 ZINC000447599083 388082200 /nfs/dbraw/zinc/08/22/00/388082200.db2.gz IZMOIYMDVSAQFB-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+]1C1CC1)C1(C)CC1 ZINC000447599083 388082202 /nfs/dbraw/zinc/08/22/02/388082202.db2.gz IZMOIYMDVSAQFB-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000453600100 388089784 /nfs/dbraw/zinc/08/97/84/388089784.db2.gz CESOGNLJVVICMY-GJZGRUSLSA-N 2 2 246.398 2.720 20 0 BFADLP CC[C@@H]([NH2+]CC[NH+]1CCCCCC1)C1CC1 ZINC000083055827 388044885 /nfs/dbraw/zinc/04/48/85/388044885.db2.gz LZORPYJYUFLULW-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccco1 ZINC000423269630 388049874 /nfs/dbraw/zinc/04/98/74/388049874.db2.gz VZHAPUVHYSQGPX-YPMHNXCESA-N 2 2 236.359 2.838 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000449196441 388156156 /nfs/dbraw/zinc/15/61/56/388156156.db2.gz SELDMNIMOBJPGS-YUELXQCFSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000449196441 388156158 /nfs/dbraw/zinc/15/61/58/388156158.db2.gz SELDMNIMOBJPGS-YUELXQCFSA-N 2 2 248.414 2.782 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449212017 388157400 /nfs/dbraw/zinc/15/74/00/388157400.db2.gz SMCJBUMDNIOJAZ-ZDUSSCGKSA-N 2 2 244.338 2.746 20 0 BFADLP Cc1cccc(CC[NH2+]CC2([NH+](C)C)CCC2)c1 ZINC000449265855 388164969 /nfs/dbraw/zinc/16/49/69/388164969.db2.gz RXCDJXFYVLUZIV-UHFFFAOYSA-N 2 2 246.398 2.611 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000488511776 388182771 /nfs/dbraw/zinc/18/27/71/388182771.db2.gz HLJFEXQNUNFTKX-RRCSTGOVSA-N 2 2 246.398 2.923 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449107238 388143960 /nfs/dbraw/zinc/14/39/60/388143960.db2.gz LVRFWUBQOUMURT-MCIONIFRSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449107238 388143961 /nfs/dbraw/zinc/14/39/61/388143961.db2.gz LVRFWUBQOUMURT-MCIONIFRSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H](C)C(C)(F)F)c[nH+]1 ZINC000449416431 388198896 /nfs/dbraw/zinc/19/88/96/388198896.db2.gz SZVHNMGEXLRJJL-LLVKDONJSA-N 2 2 242.313 2.956 20 0 BFADLP CCC1([NH2+]CCCc2ccc(C)[nH+]c2)CC1 ZINC000449414486 388198900 /nfs/dbraw/zinc/19/89/00/388198900.db2.gz MGBOEZLPLHVOIH-UHFFFAOYSA-N 2 2 218.344 2.855 20 0 BFADLP CC/C=C/C[NH2+]CCCc1ccc(C)[nH+]c1 ZINC000449457527 388211285 /nfs/dbraw/zinc/21/12/85/388211285.db2.gz OAEBPEWZUBOJTL-SNAWJCMRSA-N 2 2 218.344 2.878 20 0 BFADLP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C[C@H](C)[NH+](C)C ZINC000449557453 388231734 /nfs/dbraw/zinc/23/17/34/388231734.db2.gz RMJKUDRURPLWMU-HZSPNIEDSA-N 2 2 224.392 2.519 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCCC[C@H]1C)[NH+](C)C ZINC000449557773 388231901 /nfs/dbraw/zinc/23/19/01/388231901.db2.gz TXKMXWNNWPHKOR-ZOBORPQBSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)[NH+](C)C ZINC000449558588 388232214 /nfs/dbraw/zinc/23/22/14/388232214.db2.gz YGMRLRGQYBEVFK-NUEKZKHPSA-N 2 2 246.398 2.862 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C1CC2(CCC2)C1 ZINC000459444027 388244562 /nfs/dbraw/zinc/24/45/62/388244562.db2.gz QMHFXUDEATWGIB-UHFFFAOYSA-N 2 2 230.355 2.855 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]CCCC(C)C ZINC000276275329 388347939 /nfs/dbraw/zinc/34/79/39/388347939.db2.gz RGFQDLYFLZFWIX-UHFFFAOYSA-N 2 2 220.360 2.958 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000234037841 388352186 /nfs/dbraw/zinc/35/21/86/388352186.db2.gz XPEGMLRKIKJLKJ-QWRGUYRKSA-N 2 2 224.373 2.541 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cccs1 ZINC000234054263 388353596 /nfs/dbraw/zinc/35/35/96/388353596.db2.gz XPEGMLRKIKJLKJ-MNOVXSKESA-N 2 2 224.373 2.541 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C1CC1)C1CCCC1 ZINC000572850308 388381532 /nfs/dbraw/zinc/38/15/32/388381532.db2.gz VCQVEILCBBCVBP-LBPRGKRZSA-N 2 2 224.392 2.767 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C1CC1)C1CCCC1 ZINC000572850308 388381536 /nfs/dbraw/zinc/38/15/36/388381536.db2.gz VCQVEILCBBCVBP-LBPRGKRZSA-N 2 2 224.392 2.767 20 0 BFADLP CC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000165163677 388392752 /nfs/dbraw/zinc/39/27/52/388392752.db2.gz NQYAMVZHKZDJFI-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC/C=C/CC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000572972336 388401497 /nfs/dbraw/zinc/40/14/97/388401497.db2.gz VCMFHLVARXRLIZ-MUBLQREKSA-N 2 2 233.359 2.566 20 0 BFADLP CC/C=C/CC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000572972336 388401499 /nfs/dbraw/zinc/40/14/99/388401499.db2.gz VCMFHLVARXRLIZ-MUBLQREKSA-N 2 2 233.359 2.566 20 0 BFADLP CC/C=C/CC[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000572972335 388401509 /nfs/dbraw/zinc/40/15/09/388401509.db2.gz VCMFHLVARXRLIZ-IHVVCDCBSA-N 2 2 233.359 2.566 20 0 BFADLP CC/C=C/CC[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000572972335 388401511 /nfs/dbraw/zinc/40/15/11/388401511.db2.gz VCMFHLVARXRLIZ-IHVVCDCBSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@@H]1CCCC[C@H]1C[NH2+]C(C)(C)C[NH+](C)C ZINC000308610031 388443211 /nfs/dbraw/zinc/44/32/11/388443211.db2.gz VYWASVIPNRCCKK-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+](CC)C1CC1)C1CCC1 ZINC000322689034 388443934 /nfs/dbraw/zinc/44/39/34/388443934.db2.gz LQCMTJQGHDPOIV-CQSZACIVSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+](CC)C1CC1)C1CCC1 ZINC000322689034 388443935 /nfs/dbraw/zinc/44/39/35/388443935.db2.gz LQCMTJQGHDPOIV-CQSZACIVSA-N 2 2 224.392 2.639 20 0 BFADLP FC1(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)CC1 ZINC000525987443 388452837 /nfs/dbraw/zinc/45/28/37/388452837.db2.gz CNFRQTBJTDBGBG-UHFFFAOYSA-N 2 2 247.317 2.587 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336657330 388459518 /nfs/dbraw/zinc/45/95/18/388459518.db2.gz IGEULPPLECOKEK-MELADBBJSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336657330 388459520 /nfs/dbraw/zinc/45/95/20/388459520.db2.gz IGEULPPLECOKEK-MELADBBJSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000397524422 388476330 /nfs/dbraw/zinc/47/63/30/388476330.db2.gz HFKMAJYZXWYYGK-JSGCOSHPSA-N 2 2 232.371 2.957 20 0 BFADLP CC[N@H+](CC[NH3+])[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000300879555 388422196 /nfs/dbraw/zinc/42/21/96/388422196.db2.gz YZPQZKZMWRGFSY-VIFPVBQESA-N 2 2 244.741 2.821 20 0 BFADLP CC[N@@H+](CC[NH3+])[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000300879555 388422199 /nfs/dbraw/zinc/42/21/99/388422199.db2.gz YZPQZKZMWRGFSY-VIFPVBQESA-N 2 2 244.741 2.821 20 0 BFADLP CC[C@H]([NH2+]CC[NH+]1CCCCC1)C1CCC1 ZINC000322357138 388432289 /nfs/dbraw/zinc/43/22/89/388432289.db2.gz GEVQWSZUYQOLNW-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)C[NH+](C)C ZINC000393631195 388434989 /nfs/dbraw/zinc/43/49/89/388434989.db2.gz OCMFXTLTEPYEHD-AVGNSLFASA-N 2 2 214.397 2.741 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[N@H+](C)C1CC1)C1CCC1 ZINC000322500978 388436584 /nfs/dbraw/zinc/43/65/84/388436584.db2.gz CGXGWMNFDGCIRO-FZMZJTMJSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[N@@H+](C)C1CC1)C1CCC1 ZINC000322500978 388436586 /nfs/dbraw/zinc/43/65/86/388436586.db2.gz CGXGWMNFDGCIRO-FZMZJTMJSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000547833254 388490703 /nfs/dbraw/zinc/49/07/03/388490703.db2.gz CJYVPJBOMIEGBE-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)o1 ZINC000034958077 388496537 /nfs/dbraw/zinc/49/65/37/388496537.db2.gz BVMYKYMLFISNOX-GFCCVEGCSA-N 2 2 233.315 2.525 20 0 BFADLP C[NH+](C)C1(C[NH2+]C2CCC(C)(C)CC2)CC1 ZINC000397759761 388497154 /nfs/dbraw/zinc/49/71/54/388497154.db2.gz HROXKLLIDFIMQS-UHFFFAOYSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CC2)c2ccccc21 ZINC000397827947 388503291 /nfs/dbraw/zinc/50/32/91/388503291.db2.gz BTEWOOCJDPIGSI-WFASDCNBSA-N 2 2 244.382 2.919 20 0 BFADLP CCC[C@@H]([NH2+]CC1([NH+](C)C)CC1)[C@H]1CC1(C)C ZINC000397905723 388510942 /nfs/dbraw/zinc/51/09/42/388510942.db2.gz VSCAXRHOFSDLRW-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP C/C(Cl)=C/C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528397658 388519711 /nfs/dbraw/zinc/51/97/11/388519711.db2.gz RCXZOTDOKYJDFM-XRHVUQDBSA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C/C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528397658 388519715 /nfs/dbraw/zinc/51/97/15/388519715.db2.gz RCXZOTDOKYJDFM-XRHVUQDBSA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C/C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528397658 388519716 /nfs/dbraw/zinc/51/97/16/388519716.db2.gz RCXZOTDOKYJDFM-XRHVUQDBSA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C/C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528397658 388519719 /nfs/dbraw/zinc/51/97/19/388519719.db2.gz RCXZOTDOKYJDFM-XRHVUQDBSA-N 2 2 230.783 2.544 20 0 BFADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000347027091 388521580 /nfs/dbraw/zinc/52/15/80/388521580.db2.gz UKFLUZOUSYWYBA-SNVBAGLBSA-N 2 2 240.416 2.825 20 0 BFADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc(C(C)(C)C)s1 ZINC000347027091 388521584 /nfs/dbraw/zinc/52/15/84/388521584.db2.gz UKFLUZOUSYWYBA-SNVBAGLBSA-N 2 2 240.416 2.825 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)CC ZINC000577818646 388523639 /nfs/dbraw/zinc/52/36/39/388523639.db2.gz BLISVCXVAOJAMH-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)C(C)(C)CC ZINC000577818646 388523644 /nfs/dbraw/zinc/52/36/44/388523644.db2.gz BLISVCXVAOJAMH-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000516988582 388531009 /nfs/dbraw/zinc/53/10/09/388531009.db2.gz ZWKWESCWWNGFGL-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CC[C@H]2C(C)(C)C)C1 ZINC000516988582 388531011 /nfs/dbraw/zinc/53/10/11/388531011.db2.gz ZWKWESCWWNGFGL-MGPQQGTHSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000517042079 388535759 /nfs/dbraw/zinc/53/57/59/388535759.db2.gz LDDVABXNVGYPAK-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+][C@H]2CCCC23CC3)C1 ZINC000517042079 388535762 /nfs/dbraw/zinc/53/57/62/388535762.db2.gz LDDVABXNVGYPAK-KBPBESRZSA-N 2 2 236.403 2.641 20 0 BFADLP C/C(Cl)=C/C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000528512529 388536758 /nfs/dbraw/zinc/53/67/58/388536758.db2.gz LZZSGXFMFXQVKX-TWEXNZEWSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000528512529 388536761 /nfs/dbraw/zinc/53/67/61/388536761.db2.gz LZZSGXFMFXQVKX-TWEXNZEWSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000528512529 388536763 /nfs/dbraw/zinc/53/67/63/388536763.db2.gz LZZSGXFMFXQVKX-TWEXNZEWSA-N 2 2 242.794 2.547 20 0 BFADLP C/C(Cl)=C/C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000528512529 388536765 /nfs/dbraw/zinc/53/67/65/388536765.db2.gz LZZSGXFMFXQVKX-TWEXNZEWSA-N 2 2 242.794 2.547 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCCC12CCCC2)[NH+](C)C ZINC000328217796 388586504 /nfs/dbraw/zinc/58/65/04/388586504.db2.gz YSKWDTPXYLVGKZ-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000245867593 388608846 /nfs/dbraw/zinc/60/88/46/388608846.db2.gz QQIBWWXWZNWMJI-KBPBESRZSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)C[C@@H](C)C1 ZINC000245867593 388608849 /nfs/dbraw/zinc/60/88/49/388608849.db2.gz QQIBWWXWZNWMJI-KBPBESRZSA-N 2 2 235.375 2.641 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2(c3ccccc3)CC2)n1C ZINC000517588946 388555481 /nfs/dbraw/zinc/55/54/81/388555481.db2.gz UDAHHOCGCCTYID-UHFFFAOYSA-N 2 2 241.338 2.507 20 0 BFADLP C[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884862 388568339 /nfs/dbraw/zinc/56/83/39/388568339.db2.gz LIUYHJKVYZBJDH-BYNSBNAKSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1CCCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000548884862 388568341 /nfs/dbraw/zinc/56/83/41/388568341.db2.gz LIUYHJKVYZBJDH-BYNSBNAKSA-N 2 2 236.403 2.639 20 0 BFADLP c1ccc(NCCC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)[nH+]c1 ZINC000548884892 388568571 /nfs/dbraw/zinc/56/85/71/388568571.db2.gz CUPREFHLPPOQLH-BFHYXJOUSA-N 2 2 245.370 2.662 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000224542992 388666090 /nfs/dbraw/zinc/66/60/90/388666090.db2.gz MBYPYISMCCBZBV-XQQFMLRXSA-N 2 2 224.392 2.780 20 0 BFADLP CCCC[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000224542992 388666093 /nfs/dbraw/zinc/66/60/93/388666093.db2.gz MBYPYISMCCBZBV-XQQFMLRXSA-N 2 2 224.392 2.780 20 0 BFADLP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000552097318 388669070 /nfs/dbraw/zinc/66/90/70/388669070.db2.gz ZSQDIPBDSXOVOU-LSDHHAIUSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C(C)C)C1CC1 ZINC000552097318 388669072 /nfs/dbraw/zinc/66/90/72/388669072.db2.gz ZSQDIPBDSXOVOU-LSDHHAIUSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000248214715 388675692 /nfs/dbraw/zinc/67/56/92/388675692.db2.gz ZJWJYTOUEXMCGS-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000248214715 388675694 /nfs/dbraw/zinc/67/56/94/388675694.db2.gz ZJWJYTOUEXMCGS-MELADBBJSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)[C@H]1CC1(C)C ZINC000551233319 388623642 /nfs/dbraw/zinc/62/36/42/388623642.db2.gz RFTSRWXVCCUWJH-DGCLKSJQSA-N 2 2 247.386 2.744 20 0 BFADLP c1cc2c(o1)CCC[C@H]2[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530214868 388629352 /nfs/dbraw/zinc/62/93/52/388629352.db2.gz DGRAIFKTHGPFFN-OCCSQVGLSA-N 2 2 246.354 2.531 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC[NH2+]C12CCC2)c1cccc(F)c1 ZINC000530218289 388632002 /nfs/dbraw/zinc/63/20/02/388632002.db2.gz IOTSQDPBDZDBPJ-RISCZKNCSA-N 2 2 248.345 2.761 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@H]1CC[C@@H]1C(C)C)[NH+](C)C ZINC000552239985 388685308 /nfs/dbraw/zinc/68/53/08/388685308.db2.gz IKZAPTLXECYXGA-KFWWJZLASA-N 2 2 240.435 2.987 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)(C)C ZINC000223458932 388653232 /nfs/dbraw/zinc/65/32/32/388653232.db2.gz MEVLXXYGYTZSHX-UTUOFQBUSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)(C)C ZINC000223458932 388653234 /nfs/dbraw/zinc/65/32/34/388653234.db2.gz MEVLXXYGYTZSHX-UTUOFQBUSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)(C)C ZINC000223458873 388653705 /nfs/dbraw/zinc/65/37/05/388653705.db2.gz MEVLXXYGYTZSHX-IJLUTSLNSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)(C)C ZINC000223458873 388653707 /nfs/dbraw/zinc/65/37/07/388653707.db2.gz MEVLXXYGYTZSHX-IJLUTSLNSA-N 2 2 224.392 2.636 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@@H]1C)C1CCC1 ZINC000246974949 388656281 /nfs/dbraw/zinc/65/62/81/388656281.db2.gz JJCXQUUIMMJVOA-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@@H]1C)C1CCC1 ZINC000246974949 388656282 /nfs/dbraw/zinc/65/62/82/388656282.db2.gz JJCXQUUIMMJVOA-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCCC[C@H]1C)C(C)(C)C ZINC000247090955 388658908 /nfs/dbraw/zinc/65/89/08/388658908.db2.gz PKACJYPSRDZOPD-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCCC[C@H]1C)C(C)(C)C ZINC000247090955 388658910 /nfs/dbraw/zinc/65/89/10/388658910.db2.gz PKACJYPSRDZOPD-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[C@@H]([NH2+]CC[NH+]1CCCCCC1)C1CC1 ZINC000124006175 388659035 /nfs/dbraw/zinc/65/90/35/388659035.db2.gz KCJQYIOQSBABES-OAHLLOKOSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H]1CC[C@H]1C(C)C)[NH+](C)C ZINC000552239986 388685745 /nfs/dbraw/zinc/68/57/45/388685745.db2.gz IKZAPTLXECYXGA-QLFBSQMISA-N 2 2 240.435 2.987 20 0 BFADLP C[C@@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)[N@H+](C)C1CC1 ZINC000247186021 388661110 /nfs/dbraw/zinc/66/11/10/388661110.db2.gz ZQBNWNSFXIEKTM-UPJWGTAASA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+]C1[C@H](C)CCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000247186021 388661112 /nfs/dbraw/zinc/66/11/12/388661112.db2.gz ZQBNWNSFXIEKTM-UPJWGTAASA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000251721232 388752266 /nfs/dbraw/zinc/75/22/66/388752266.db2.gz PTMFJYJBPZIBPI-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)CC[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000251721232 388752269 /nfs/dbraw/zinc/75/22/69/388752269.db2.gz PTMFJYJBPZIBPI-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000552254594 388687441 /nfs/dbraw/zinc/68/74/41/388687441.db2.gz MLFNAMZXRYJMBF-RBSFLKMASA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)[C@H]1CC[C@H]1[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000552254594 388687445 /nfs/dbraw/zinc/68/74/45/388687445.db2.gz MLFNAMZXRYJMBF-RBSFLKMASA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000540170073 388798148 /nfs/dbraw/zinc/79/81/48/388798148.db2.gz YMAOJPMDKDAMEQ-ZENOOKHLSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccccc1 ZINC000540170073 388798154 /nfs/dbraw/zinc/79/81/54/388798154.db2.gz YMAOJPMDKDAMEQ-ZENOOKHLSA-N 2 2 244.382 2.820 20 0 BFADLP CC(C)[C@@H](CCc1ccccc1)[NH2+]CC[NH+](C)C ZINC000554375349 388811841 /nfs/dbraw/zinc/81/18/41/388811841.db2.gz LKVXPMNTLKDESI-MRXNPFEDSA-N 2 2 248.414 2.795 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000252713021 388772799 /nfs/dbraw/zinc/77/27/99/388772799.db2.gz OBRBSFJBOVQLII-SCRDCRAPSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000252713021 388772802 /nfs/dbraw/zinc/77/28/02/388772802.db2.gz OBRBSFJBOVQLII-SCRDCRAPSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000252709952 388773203 /nfs/dbraw/zinc/77/32/03/388773203.db2.gz FHNNHCAGDGWEEE-RNJOBUHISA-N 2 2 224.392 2.636 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000252709952 388773207 /nfs/dbraw/zinc/77/32/07/388773207.db2.gz FHNNHCAGDGWEEE-RNJOBUHISA-N 2 2 224.392 2.636 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@@H+]1C1CC1 ZINC000252713080 388773395 /nfs/dbraw/zinc/77/33/95/388773395.db2.gz OGQIHPYKCBWFEQ-BHPKHCPMSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@H]2C)C[N@H+]1C1CC1 ZINC000252713080 388773398 /nfs/dbraw/zinc/77/33/98/388773398.db2.gz OGQIHPYKCBWFEQ-BHPKHCPMSA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)([NH2+]Cc1cccc2[nH+]ccn21)C1CC1 ZINC000539854508 388785279 /nfs/dbraw/zinc/78/52/79/388785279.db2.gz RAMTZKNAWGXZAP-UHFFFAOYSA-N 2 2 229.327 2.613 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000554536634 388821592 /nfs/dbraw/zinc/82/15/92/388821592.db2.gz HAVXMQJOLGKAGW-GWIFJHRUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C1CCC(C)CC1 ZINC000554536634 388821597 /nfs/dbraw/zinc/82/15/97/388821597.db2.gz HAVXMQJOLGKAGW-GWIFJHRUSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H](C)C[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000093064619 388823525 /nfs/dbraw/zinc/82/35/25/388823525.db2.gz SARGKKFQAXJKMG-GOEBONIOSA-N 2 2 248.414 2.795 20 0 BFADLP CC(C)C[C@H](C[NH2+]C1CC(C(C)C)C1)[NH+](C)C ZINC000232608238 388854081 /nfs/dbraw/zinc/85/40/81/388854081.db2.gz OAQDDENRAPOBDR-YMAMQOFZSA-N 2 2 240.435 2.987 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000232714764 388856572 /nfs/dbraw/zinc/85/65/72/388856572.db2.gz PWLMRPRIEVVEGX-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000232714764 388856576 /nfs/dbraw/zinc/85/65/76/388856576.db2.gz PWLMRPRIEVVEGX-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000129730933 388868569 /nfs/dbraw/zinc/86/85/69/388868569.db2.gz SGTIVJGIXMLIAS-HZSPNIEDSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000129730933 388868572 /nfs/dbraw/zinc/86/85/72/388868572.db2.gz SGTIVJGIXMLIAS-HZSPNIEDSA-N 2 2 234.387 2.558 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H]1CC=C(C)CC1 ZINC000556231582 388872485 /nfs/dbraw/zinc/87/24/85/388872485.db2.gz BAALVECGFXRQNH-GJZGRUSLSA-N 2 2 236.403 2.949 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H]1CC=C(C)CC1 ZINC000556231582 388872486 /nfs/dbraw/zinc/87/24/86/388872486.db2.gz BAALVECGFXRQNH-GJZGRUSLSA-N 2 2 236.403 2.949 20 0 BFADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000093644717 388846886 /nfs/dbraw/zinc/84/68/86/388846886.db2.gz NOVBREXWGCTGSX-CHWSQXEVSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000093644717 388846888 /nfs/dbraw/zinc/84/68/88/388846888.db2.gz NOVBREXWGCTGSX-CHWSQXEVSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644717 388846889 /nfs/dbraw/zinc/84/68/89/388846889.db2.gz NOVBREXWGCTGSX-CHWSQXEVSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1ccoc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000093644717 388846892 /nfs/dbraw/zinc/84/68/92/388846892.db2.gz NOVBREXWGCTGSX-CHWSQXEVSA-N 2 2 236.359 2.503 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2CC(C(C)(C)C)C2)n1C ZINC000564739251 388887339 /nfs/dbraw/zinc/88/73/39/388887339.db2.gz FMDGCLCYYSJARZ-UHFFFAOYSA-N 2 2 235.375 2.643 20 0 BFADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccoc2)CC1 ZINC000094867736 388874236 /nfs/dbraw/zinc/87/42/36/388874236.db2.gz XLCLKFGGCVQPGF-LBPRGKRZSA-N 2 2 236.359 2.805 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000565259661 388932943 /nfs/dbraw/zinc/93/29/43/388932943.db2.gz YNIFFUXGYBBLLH-TZMCWYRMSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@H]([NH2+]C1CC([NH+](C)C)C1)c1ccccc1F ZINC000565842956 388973931 /nfs/dbraw/zinc/97/39/31/388973931.db2.gz JJRWBSRWBMYEQX-UNXYVOJBSA-N 2 2 236.334 2.569 20 0 BFADLP C/C(=C\c1ccccc1)C[NH2+][C@H](C)C[NH+](C)C ZINC000342228642 533412117 /nfs/dbraw/zinc/41/21/17/533412117.db2.gz YWXIRGQWMGDODJ-JWAFFJSPSA-N 2 2 232.371 2.630 20 0 BFADLP C1=CC[C@@H](C[N@@H+]2CCC[NH+]3CCC[C@@H]3C2)CC1 ZINC000227420560 533479714 /nfs/dbraw/zinc/47/97/14/533479714.db2.gz FEEDUIPBVHYYSM-HUUCEWRRSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@@H](C[N@H+]2CCC[NH+]3CCC[C@@H]3C2)CC1 ZINC000227420560 533479716 /nfs/dbraw/zinc/47/97/16/533479716.db2.gz FEEDUIPBVHYYSM-HUUCEWRRSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@@H](C[NH+]2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000227420560 533479719 /nfs/dbraw/zinc/47/97/19/533479719.db2.gz FEEDUIPBVHYYSM-HUUCEWRRSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@@H](C[NH+]2CCC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000227420560 533479721 /nfs/dbraw/zinc/47/97/21/533479721.db2.gz FEEDUIPBVHYYSM-HUUCEWRRSA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@@H](C[N@@H+]2CCC[NH+]3CCC[C@H]3C2)CC1 ZINC000251021536 533480578 /nfs/dbraw/zinc/48/05/78/533480578.db2.gz FEEDUIPBVHYYSM-CABCVRRESA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@@H](C[N@H+]2CCC[NH+]3CCC[C@H]3C2)CC1 ZINC000251021536 533480583 /nfs/dbraw/zinc/48/05/83/533480583.db2.gz FEEDUIPBVHYYSM-CABCVRRESA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@@H](C[NH+]2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000251021536 533480588 /nfs/dbraw/zinc/48/05/88/533480588.db2.gz FEEDUIPBVHYYSM-CABCVRRESA-N 2 2 234.387 2.513 20 0 BFADLP C1=CC[C@@H](C[NH+]2CCC[N@H+]3CCC[C@H]3C2)CC1 ZINC000251021536 533480591 /nfs/dbraw/zinc/48/05/91/533480591.db2.gz FEEDUIPBVHYYSM-CABCVRRESA-N 2 2 234.387 2.513 20 0 BFADLP CC[C@@H](C)C[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340595303 132222010 /nfs/dbraw/zinc/22/20/10/132222010.db2.gz KBMMFSAEVHNTQE-CYBMUJFWSA-N 2 2 247.386 2.558 20 0 BFADLP C[C@@H]1Cc2ccccc2[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000104185368 132267341 /nfs/dbraw/zinc/26/73/41/132267341.db2.gz ALYBVESKYKEKGX-CYBMUJFWSA-N 2 2 244.382 2.685 20 0 BFADLP C[C@@H]1Cc2ccccc2[N@H+](CC2CC[NH2+]CC2)C1 ZINC000104185368 132267347 /nfs/dbraw/zinc/26/73/47/132267347.db2.gz ALYBVESKYKEKGX-CYBMUJFWSA-N 2 2 244.382 2.685 20 0 BFADLP Cc1ccc2c(c1)CCC[N@H+]2CC1CC[NH2+]CC1 ZINC000020074094 132336434 /nfs/dbraw/zinc/33/64/34/132336434.db2.gz CJIBYZQDTAYMRW-UHFFFAOYSA-N 2 2 244.382 2.747 20 0 BFADLP Cc1ccc2c(c1)CCC[N@@H+]2CC1CC[NH2+]CC1 ZINC000020074094 132336435 /nfs/dbraw/zinc/33/64/35/132336435.db2.gz CJIBYZQDTAYMRW-UHFFFAOYSA-N 2 2 244.382 2.747 20 0 BFADLP C[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCCC1 ZINC000165183510 133633406 /nfs/dbraw/zinc/63/34/06/133633406.db2.gz YABOHXMHUPWHQA-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000335498313 133867737 /nfs/dbraw/zinc/86/77/37/133867737.db2.gz JKDFVRNTKZWETH-NWDGAFQWSA-N 2 2 238.400 2.849 20 0 BFADLP c1[nH+]cn2c1C[N@H+](CC1CCCCCC1)CC2 ZINC000336011067 134051123 /nfs/dbraw/zinc/05/11/23/134051123.db2.gz QJASNICBCFJMGQ-UHFFFAOYSA-N 2 2 233.359 2.669 20 0 BFADLP c1[nH+]cn2c1C[N@@H+](CC1CCCCCC1)CC2 ZINC000336011067 134051124 /nfs/dbraw/zinc/05/11/24/134051124.db2.gz QJASNICBCFJMGQ-UHFFFAOYSA-N 2 2 233.359 2.669 20 0 BFADLP C[C@H](C[NH2+][C@H](C)C1CCC1)[NH+]1CCC(C)CC1 ZINC000178138183 134306611 /nfs/dbraw/zinc/30/66/11/134306611.db2.gz CFZFSOPZSVHPAT-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C/C=C\c1ccccc1 ZINC000220541111 134309808 /nfs/dbraw/zinc/30/98/08/134309808.db2.gz WQULGBFPHNXRGL-BMWLXYDHSA-N 2 2 241.338 2.575 20 0 BFADLP Cc1ccc2c(c1)[N@@H+](CC1CC[NH2+]CC1)CCC2 ZINC000178972905 134314218 /nfs/dbraw/zinc/31/42/18/134314218.db2.gz MZWYCESBONQOKV-UHFFFAOYSA-N 2 2 244.382 2.747 20 0 BFADLP Cc1ccc2c(c1)[N@H+](CC1CC[NH2+]CC1)CCC2 ZINC000178972905 134314219 /nfs/dbraw/zinc/31/42/19/134314219.db2.gz MZWYCESBONQOKV-UHFFFAOYSA-N 2 2 244.382 2.747 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC000221148785 134317347 /nfs/dbraw/zinc/31/73/47/134317347.db2.gz GNZGUNGSFZISEE-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC000221148785 134317348 /nfs/dbraw/zinc/31/73/48/134317348.db2.gz GNZGUNGSFZISEE-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CCC(CC)C[N@@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000179884504 134325087 /nfs/dbraw/zinc/32/50/87/134325087.db2.gz ZUWBDBFJSYUWEH-HNNXBMFYSA-N 2 2 238.419 2.983 20 0 BFADLP CCC(CC)C[N@H+]1CCC[C@H]1C[NH+]1CCCC1 ZINC000179884504 134325088 /nfs/dbraw/zinc/32/50/88/134325088.db2.gz ZUWBDBFJSYUWEH-HNNXBMFYSA-N 2 2 238.419 2.983 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)[C@@H](C)C1 ZINC000221671150 134325783 /nfs/dbraw/zinc/32/57/83/134325783.db2.gz SOAFNEBHEDILCS-FRRDWIJNSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1C[N@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000182501075 134345500 /nfs/dbraw/zinc/34/55/00/134345500.db2.gz LUKYMYHFIQEZBR-ZNMIVQPWSA-N 2 2 247.386 2.784 20 0 BFADLP C[C@H]1C[N@@H+](CCCn2cc[nH+]c2)[C@H]2CCCC[C@H]12 ZINC000182501075 134345501 /nfs/dbraw/zinc/34/55/01/134345501.db2.gz LUKYMYHFIQEZBR-ZNMIVQPWSA-N 2 2 247.386 2.784 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@@H]2C2CCC2)c[nH+]1 ZINC000182749160 134348110 /nfs/dbraw/zinc/34/81/10/134348110.db2.gz VCWACTUKECXOIJ-CQSZACIVSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@@H]2C2CCC2)c[nH+]1 ZINC000182749160 134348111 /nfs/dbraw/zinc/34/81/11/134348111.db2.gz VCWACTUKECXOIJ-CQSZACIVSA-N 2 2 233.359 2.538 20 0 BFADLP CC[N@H+](CC[NH2+]C1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000227845069 134390852 /nfs/dbraw/zinc/39/08/52/134390852.db2.gz CGJVYLKDMFSRCU-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+]C1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000227845069 134390853 /nfs/dbraw/zinc/39/08/53/134390853.db2.gz CGJVYLKDMFSRCU-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=C[C@H](C)C[C@@H](C[NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000235388449 134590480 /nfs/dbraw/zinc/59/04/80/134590480.db2.gz LJHPULKHOALZMN-GXTWGEPZSA-N 2 2 238.419 2.909 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000070761539 135011681 /nfs/dbraw/zinc/01/16/81/135011681.db2.gz YYHSGFNOKHVEGG-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000250349922 135052484 /nfs/dbraw/zinc/05/24/84/135052484.db2.gz RCRLZCRQSYTNMW-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCC1(C)C ZINC000250349922 135052485 /nfs/dbraw/zinc/05/24/85/135052485.db2.gz RCRLZCRQSYTNMW-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)[C@H]1C ZINC000252135471 135084506 /nfs/dbraw/zinc/08/45/06/135084506.db2.gz LKPDNHRXLUKKTL-QLFBSQMISA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H](C)C[N@H+](CC)C[C@H]([NH3+])CC(C)C ZINC000086440249 135085868 /nfs/dbraw/zinc/08/58/68/135085868.db2.gz LASYQKRXKRDKLV-QWHCGFSZSA-N 2 2 214.397 2.728 20 0 BFADLP CC[C@H](C)C[N@@H+](CC)C[C@H]([NH3+])CC(C)C ZINC000086440249 135085871 /nfs/dbraw/zinc/08/58/71/135085871.db2.gz LASYQKRXKRDKLV-QWHCGFSZSA-N 2 2 214.397 2.728 20 0 BFADLP CC(C)CCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086931060 135103269 /nfs/dbraw/zinc/10/32/69/135103269.db2.gz OSSBQMWSEXVNOQ-CQSZACIVSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000086931060 135103271 /nfs/dbraw/zinc/10/32/71/135103271.db2.gz OSSBQMWSEXVNOQ-CQSZACIVSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000086931060 135103273 /nfs/dbraw/zinc/10/32/73/135103273.db2.gz OSSBQMWSEXVNOQ-CQSZACIVSA-N 2 2 224.392 2.593 20 0 BFADLP CC(C)CCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000086931060 135103274 /nfs/dbraw/zinc/10/32/74/135103274.db2.gz OSSBQMWSEXVNOQ-CQSZACIVSA-N 2 2 224.392 2.593 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCC2)[C@H]1C ZINC000252917929 135116861 /nfs/dbraw/zinc/11/68/61/135116861.db2.gz CDEUMAOVLYJJJL-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCC2)C[C@@H](C)C1 ZINC000252928464 135117637 /nfs/dbraw/zinc/11/76/37/135117637.db2.gz QTHVVHLZRZMUNC-WDNDVIMCSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH3+])[N@H+](C)Cc1csc2ccccc12 ZINC000259937113 135145292 /nfs/dbraw/zinc/14/52/92/135145292.db2.gz FRRWCPOTOTVPRK-SNVBAGLBSA-N 2 2 234.368 2.680 20 0 BFADLP C[C@H](C[NH3+])[N@@H+](C)Cc1csc2ccccc12 ZINC000259937113 135145294 /nfs/dbraw/zinc/14/52/94/135145294.db2.gz FRRWCPOTOTVPRK-SNVBAGLBSA-N 2 2 234.368 2.680 20 0 BFADLP C[C@H](c1cccc(Cl)c1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533906 135166001 /nfs/dbraw/zinc/16/60/01/135166001.db2.gz LCFCWYJPOBRNJQ-GIPNMCIBSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@H](c1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261533906 135166002 /nfs/dbraw/zinc/16/60/02/135166002.db2.gz LCFCWYJPOBRNJQ-GIPNMCIBSA-N 2 2 238.762 2.680 20 0 BFADLP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1sccc1Cl ZINC000261537382 135174230 /nfs/dbraw/zinc/17/42/30/135174230.db2.gz VLOWXOWJHYTBIT-LLVKDONJSA-N 2 2 246.807 2.865 20 0 BFADLP C[C@@H](C[NH3+])[N@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000261539035 135177515 /nfs/dbraw/zinc/17/75/15/135177515.db2.gz BKPOJLGXZMHPED-QMMMGPOBSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1cc(Cl)cc(Cl)c1 ZINC000261539035 135177516 /nfs/dbraw/zinc/17/75/16/135177516.db2.gz BKPOJLGXZMHPED-QMMMGPOBSA-N 2 2 247.169 2.772 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1[NH3+] ZINC000261551465 135190750 /nfs/dbraw/zinc/19/07/50/135190750.db2.gz VLUDTZGVMBXZGF-MLGOLLRUSA-N 2 2 240.350 2.619 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1[NH3+] ZINC000261551465 135190752 /nfs/dbraw/zinc/19/07/52/135190752.db2.gz VLUDTZGVMBXZGF-MLGOLLRUSA-N 2 2 240.350 2.619 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000261560469 135201336 /nfs/dbraw/zinc/20/13/36/135201336.db2.gz UQPQXISGDKZFKC-VWYCJHECSA-N 2 2 232.327 2.819 20 0 BFADLP CC[C@@H](C)[NH2+]Cc1c[nH+]c2c(C)cccn12 ZINC000164409185 135243209 /nfs/dbraw/zinc/24/32/09/135243209.db2.gz AQFKAMWTYVJULR-LLVKDONJSA-N 2 2 217.316 2.531 20 0 BFADLP CC(C)C1CCC([N@H+](C)CC(C)(C)[NH3+])CC1 ZINC000261759299 135250547 /nfs/dbraw/zinc/25/05/47/135250547.db2.gz MGLGABLOKPBHTH-UHFFFAOYSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C1CCC([N@@H+](C)CC(C)(C)[NH3+])CC1 ZINC000261759299 135250549 /nfs/dbraw/zinc/25/05/49/135250549.db2.gz MGLGABLOKPBHTH-UHFFFAOYSA-N 2 2 226.408 2.870 20 0 BFADLP C[C@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1[NH3+] ZINC000261975192 135268739 /nfs/dbraw/zinc/26/87/39/135268739.db2.gz IQKXLEOEKSDZGO-GXFFZTMASA-N 2 2 246.379 2.680 20 0 BFADLP C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@H]1[NH3+] ZINC000261975192 135268740 /nfs/dbraw/zinc/26/87/40/135268740.db2.gz IQKXLEOEKSDZGO-GXFFZTMASA-N 2 2 246.379 2.680 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342400883 135271441 /nfs/dbraw/zinc/27/14/41/135271441.db2.gz LBRRMOYTHGUTSO-SQWLQELKSA-N 2 2 248.414 2.805 20 0 BFADLP CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000342400883 135271443 /nfs/dbraw/zinc/27/14/43/135271443.db2.gz LBRRMOYTHGUTSO-SQWLQELKSA-N 2 2 248.414 2.805 20 0 BFADLP Cc1[nH]c2ccc(Cn3c[nH+]c(C)c3C)cc2[nH+]1 ZINC000342683012 135304616 /nfs/dbraw/zinc/30/46/16/135304616.db2.gz YLBLBNRAFJYCTL-UHFFFAOYSA-N 2 2 240.310 2.733 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC1(C)C)[NH+]1CCC(C)CC1 ZINC000342687374 135305350 /nfs/dbraw/zinc/30/53/50/135305350.db2.gz IQKMVCHYACRUNP-KGLIPLIRSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000342713877 135313530 /nfs/dbraw/zinc/31/35/30/135313530.db2.gz UTWPRDCGOOMNAM-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000342713877 135313531 /nfs/dbraw/zinc/31/35/31/135313531.db2.gz UTWPRDCGOOMNAM-JSGCOSHPSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC000342761436 135325279 /nfs/dbraw/zinc/32/52/79/135325279.db2.gz XHRYWIKPGKAFCD-GUTXKFCHSA-N 2 2 232.371 2.820 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000342761436 135325281 /nfs/dbraw/zinc/32/52/81/135325281.db2.gz XHRYWIKPGKAFCD-GUTXKFCHSA-N 2 2 232.371 2.820 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000334415212 135397236 /nfs/dbraw/zinc/39/72/36/135397236.db2.gz NOCPITQUJKINAX-BXUZGUMPSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000334415212 135397237 /nfs/dbraw/zinc/39/72/37/135397237.db2.gz NOCPITQUJKINAX-BXUZGUMPSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000334415219 135397449 /nfs/dbraw/zinc/39/74/49/135397449.db2.gz NOCPITQUJKINAX-SMDDNHRTSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000334415219 135397451 /nfs/dbraw/zinc/39/74/51/135397451.db2.gz NOCPITQUJKINAX-SMDDNHRTSA-N 2 2 247.386 2.825 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCc1c[nH+]cn1C ZINC000347744588 136010623 /nfs/dbraw/zinc/01/06/23/136010623.db2.gz GSSWQTAAUOGQMP-UMVBOHGHSA-N 2 2 247.386 2.616 20 0 BFADLP C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCc1c[nH+]cn1C ZINC000347744588 136010624 /nfs/dbraw/zinc/01/06/24/136010624.db2.gz GSSWQTAAUOGQMP-UMVBOHGHSA-N 2 2 247.386 2.616 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000347752887 136011555 /nfs/dbraw/zinc/01/15/55/136011555.db2.gz TVONRMWNEGWGKW-OAHLLOKOSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000347752887 136011556 /nfs/dbraw/zinc/01/15/56/136011556.db2.gz TVONRMWNEGWGKW-OAHLLOKOSA-N 2 2 247.386 2.617 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000348080162 136034398 /nfs/dbraw/zinc/03/43/98/136034398.db2.gz HIMFZWXZLUFWIW-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000348080162 136034399 /nfs/dbraw/zinc/03/43/99/136034399.db2.gz HIMFZWXZLUFWIW-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000348090570 136035481 /nfs/dbraw/zinc/03/54/81/136035481.db2.gz WEJGVVRBPWIEKO-TZMCWYRMSA-N 2 2 247.386 2.540 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)C1CC1 ZINC000348115735 136037659 /nfs/dbraw/zinc/03/76/59/136037659.db2.gz IDTCCYPLHSKUBN-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C)C1CC1 ZINC000348115735 136037660 /nfs/dbraw/zinc/03/76/60/136037660.db2.gz IDTCCYPLHSKUBN-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc2cc(C[N@@H+]3CC[C@@H]([NH3+])C3)oc2cc1C ZINC000335336861 136044520 /nfs/dbraw/zinc/04/45/20/136044520.db2.gz VAWCZQZPWGAWHO-CYBMUJFWSA-N 2 2 244.338 2.583 20 0 BFADLP Cc1cc2cc(C[N@H+]3CC[C@@H]([NH3+])C3)oc2cc1C ZINC000335336861 136044521 /nfs/dbraw/zinc/04/45/21/136044521.db2.gz VAWCZQZPWGAWHO-CYBMUJFWSA-N 2 2 244.338 2.583 20 0 BFADLP CC1(C)CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C1 ZINC000335339108 136045140 /nfs/dbraw/zinc/04/51/40/136045140.db2.gz GYPAJLKJQPLMIP-STQMWFEESA-N 2 2 247.386 2.756 20 0 BFADLP CC1(C)CCC([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)CC1 ZINC000335325935 136051620 /nfs/dbraw/zinc/05/16/20/136051620.db2.gz KRGFAYFZUAUNPQ-GFCCVEGCSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCC([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)CC1 ZINC000335325935 136051621 /nfs/dbraw/zinc/05/16/21/136051621.db2.gz KRGFAYFZUAUNPQ-GFCCVEGCSA-N 2 2 247.386 2.825 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+]C1CCC3(CC3)CC1)C2 ZINC000335325934 136051818 /nfs/dbraw/zinc/05/18/18/136051818.db2.gz KQMUYRWBAIUKIJ-LBPRGKRZSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+]C1CCC3(CC3)CC1)CC2 ZINC000335325934 136051819 /nfs/dbraw/zinc/05/18/19/136051819.db2.gz KQMUYRWBAIUKIJ-LBPRGKRZSA-N 2 2 245.370 2.579 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000348297539 136063008 /nfs/dbraw/zinc/06/30/08/136063008.db2.gz ZLGKCBNJLOACIS-FVQBIDKESA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000348302126 136064861 /nfs/dbraw/zinc/06/48/61/136064861.db2.gz LUWCCZPJMSFBLE-MGPQQGTHSA-N 2 2 234.387 2.718 20 0 BFADLP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]CC[NH+](C)C ZINC000348385488 136078860 /nfs/dbraw/zinc/07/88/60/136078860.db2.gz FGGBITZJIUBOIP-HNNXBMFYSA-N 2 2 246.398 2.832 20 0 BFADLP Cc1cccn2c(C[NH2+]C3CC(C)(F)C3)c[nH+]c12 ZINC000335375540 136085634 /nfs/dbraw/zinc/08/56/34/136085634.db2.gz LXEBSFPJHWYQQT-UHFFFAOYSA-N 2 2 247.317 2.623 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+]C[C@H]2CCC[N@H+]2C)c1 ZINC000649575406 397966303 /nfs/dbraw/zinc/96/63/03/397966303.db2.gz OOAIMQIIBRHWIG-OAHLLOKOSA-N 2 2 246.398 2.914 20 0 BFADLP Cc1cccc(C(C)(C)[NH2+]C[C@H]2CCC[N@@H+]2C)c1 ZINC000649575406 397966305 /nfs/dbraw/zinc/96/63/05/397966305.db2.gz OOAIMQIIBRHWIG-OAHLLOKOSA-N 2 2 246.398 2.914 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(c2ccccc2)CCC1 ZINC000649553024 397948121 /nfs/dbraw/zinc/94/81/21/397948121.db2.gz ALBNYMKSDSPJEU-OAHLLOKOSA-N 2 2 244.382 2.750 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(c2ccccc2)CCC1 ZINC000649553024 397948126 /nfs/dbraw/zinc/94/81/26/397948126.db2.gz ALBNYMKSDSPJEU-OAHLLOKOSA-N 2 2 244.382 2.750 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccsc1 ZINC000629545352 397969080 /nfs/dbraw/zinc/96/90/80/397969080.db2.gz KFTZSSLESMLOPO-ZMLRMANQSA-N 2 2 224.373 2.539 20 0 BFADLP Cc1ccccc1C1([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000649635059 398016289 /nfs/dbraw/zinc/01/62/89/398016289.db2.gz CKNYUDNIGVJETB-CQSZACIVSA-N 2 2 244.382 2.668 20 0 BFADLP Cc1ccccc1C1([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649635059 398016294 /nfs/dbraw/zinc/01/62/94/398016294.db2.gz CKNYUDNIGVJETB-CQSZACIVSA-N 2 2 244.382 2.668 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCC3(C)C)n2c1 ZINC000290036739 398087249 /nfs/dbraw/zinc/08/72/49/398087249.db2.gz FNTMWBIFNHRTAB-ZDUSSCGKSA-N 2 2 243.354 2.921 20 0 BFADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCCC1 ZINC000191907555 398103446 /nfs/dbraw/zinc/10/34/46/398103446.db2.gz IWCFXDDVFBNAER-UHFFFAOYSA-N 2 2 241.338 2.777 20 0 BFADLP C(CC1CCCCC1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000061983477 398109997 /nfs/dbraw/zinc/10/99/97/398109997.db2.gz BVINZPMYTKHAMC-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCCC1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000061983477 398109999 /nfs/dbraw/zinc/10/99/99/398109999.db2.gz BVINZPMYTKHAMC-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCCC1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000061983476 398110495 /nfs/dbraw/zinc/11/04/95/398110495.db2.gz BVINZPMYTKHAMC-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCCC1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000061983476 398110499 /nfs/dbraw/zinc/11/04/99/398110499.db2.gz BVINZPMYTKHAMC-CQSZACIVSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000336711490 398134276 /nfs/dbraw/zinc/13/42/76/398134276.db2.gz MRCREVBALDRTEB-CQSZACIVSA-N 2 2 235.375 2.846 20 0 BFADLP CCC[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1C ZINC000336711490 398134279 /nfs/dbraw/zinc/13/42/79/398134279.db2.gz MRCREVBALDRTEB-CQSZACIVSA-N 2 2 235.375 2.846 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000383173471 487590199 /nfs/dbraw/zinc/59/01/99/487590199.db2.gz OFEJKAHGBPVBEU-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000383173471 487590200 /nfs/dbraw/zinc/59/02/00/487590200.db2.gz OFEJKAHGBPVBEU-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP c1[nH+]c2n(c1C[N@@H+]1CC[C@@H]3CCCC[C@@H]31)CCC2 ZINC000668271629 487599866 /nfs/dbraw/zinc/59/98/66/487599866.db2.gz KLCJCXROTLMRRQ-JSGCOSHPSA-N 2 2 245.370 2.594 20 0 BFADLP c1[nH+]c2n(c1C[N@H+]1CC[C@@H]3CCCC[C@@H]31)CCC2 ZINC000668271629 487599869 /nfs/dbraw/zinc/59/98/69/487599869.db2.gz KLCJCXROTLMRRQ-JSGCOSHPSA-N 2 2 245.370 2.594 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000116386649 487606666 /nfs/dbraw/zinc/60/66/66/487606666.db2.gz RDUULZLCIIZRAD-CVEARBPZSA-N 2 2 246.398 2.692 20 0 BFADLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCCC12CCCC2 ZINC000328132808 487608510 /nfs/dbraw/zinc/60/85/10/487608510.db2.gz XBWFKRVARYZSIE-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+](C[C@@H](CC)CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000662245211 409538268 /nfs/dbraw/zinc/53/82/68/409538268.db2.gz IWLHSXCLUSKBIC-NWDGAFQWSA-N 2 2 248.361 2.742 20 0 BFADLP CCC[N@@H+](C[C@@H](CC)CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000662245211 409538275 /nfs/dbraw/zinc/53/82/75/409538275.db2.gz IWLHSXCLUSKBIC-NWDGAFQWSA-N 2 2 248.361 2.742 20 0 BFADLP CCC[N@H+](C[C@H](CC)CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000662245216 409539078 /nfs/dbraw/zinc/53/90/78/409539078.db2.gz IWLHSXCLUSKBIC-VXGBXAGGSA-N 2 2 248.361 2.742 20 0 BFADLP CCC[N@@H+](C[C@H](CC)CC(F)F)[C@@H]1CC[NH2+]C1 ZINC000662245216 409539084 /nfs/dbraw/zinc/53/90/84/409539084.db2.gz IWLHSXCLUSKBIC-VXGBXAGGSA-N 2 2 248.361 2.742 20 0 BFADLP CC1(C)C[C@]1([NH2+]Cc1c[nH+]c[nH]1)c1ccccc1 ZINC000662340111 409650278 /nfs/dbraw/zinc/65/02/78/409650278.db2.gz IDXOFEPNGDTJMN-HNNXBMFYSA-N 2 2 241.338 2.825 20 0 BFADLP CCc1cc[nH+]cc1NC1CC[NH+](C2CC2)CC1 ZINC000651979976 410115925 /nfs/dbraw/zinc/11/59/25/410115925.db2.gz UKLRFEWDHVTQFB-UHFFFAOYSA-N 2 2 245.370 2.683 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)C1CCCCCC1 ZINC000346452770 410202849 /nfs/dbraw/zinc/20/28/49/410202849.db2.gz GWIGFILMOKMCAI-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C(C)(C)C)CC2 ZINC000650715339 410351226 /nfs/dbraw/zinc/35/12/26/410351226.db2.gz YSCOHCKXUYKPOY-OAHLLOKOSA-N 2 2 246.398 2.960 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000328145630 487616271 /nfs/dbraw/zinc/61/62/71/487616271.db2.gz CEFSTOFEFHKCRB-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]C2CCC(C)CC2)C1 ZINC000328145630 487616277 /nfs/dbraw/zinc/61/62/77/487616277.db2.gz CEFSTOFEFHKCRB-RUXDESIVSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000665294157 410782591 /nfs/dbraw/zinc/78/25/91/410782591.db2.gz JLJKLDOVFJSLEF-QWHCGFSZSA-N 2 2 220.360 2.562 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1cc(C)sc1C ZINC000665294857 410787358 /nfs/dbraw/zinc/78/73/58/410787358.db2.gz XSGXQLIFLZQTEI-WCBMZHEXSA-N 2 2 226.389 2.623 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C)sc1C ZINC000665294858 410787894 /nfs/dbraw/zinc/78/78/94/410787894.db2.gz XSGXQLIFLZQTEI-WPRPVWTQSA-N 2 2 226.389 2.623 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCc2ccc(C)cc21 ZINC000665296119 410802212 /nfs/dbraw/zinc/80/22/12/410802212.db2.gz NBYHNCXBMJOTAT-WFASDCNBSA-N 2 2 232.371 2.570 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000665296456 410811639 /nfs/dbraw/zinc/81/16/39/410811639.db2.gz SSIXCRHBZONIEY-SWLSCSKDSA-N 2 2 232.371 2.652 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000665296457 410811980 /nfs/dbraw/zinc/81/19/80/410811980.db2.gz SSIXCRHBZONIEY-WFASDCNBSA-N 2 2 232.371 2.652 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000665296729 410813882 /nfs/dbraw/zinc/81/38/82/410813882.db2.gz XDZAYXPMIHHHAL-NOZJJQNGSA-N 2 2 238.762 2.525 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc2ccc(C)cc2o1 ZINC000665298515 410830900 /nfs/dbraw/zinc/83/09/00/410830900.db2.gz XHIIVEUWOPCFOK-RYUDHWBXSA-N 2 2 246.354 3.000 20 0 BFADLP C[C@H]1CC[C@H](C)[NH+]1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660000202 411165010 /nfs/dbraw/zinc/16/50/10/411165010.db2.gz PXKDYLQQDZPQSR-XGUBFFRZSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H]1CC[C@H](C)[NH+]1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660000202 411165013 /nfs/dbraw/zinc/16/50/13/411165013.db2.gz PXKDYLQQDZPQSR-XGUBFFRZSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]CC(C)(C)[NH+](C)C ZINC000651667602 411134370 /nfs/dbraw/zinc/13/43/70/411134370.db2.gz JMMATQWHECNCDB-TZMCWYRMSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651694625 411136619 /nfs/dbraw/zinc/13/66/19/411136619.db2.gz KQOYFMFSHZAYMV-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651694625 411136620 /nfs/dbraw/zinc/13/66/20/411136620.db2.gz KQOYFMFSHZAYMV-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000651768140 411142875 /nfs/dbraw/zinc/14/28/75/411142875.db2.gz ZDYFPAYWWWHNNJ-UMVBOHGHSA-N 2 2 247.386 2.756 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000651768139 411142883 /nfs/dbraw/zinc/14/28/83/411142883.db2.gz ZDYFPAYWWWHNNJ-KCQAQPDRSA-N 2 2 247.386 2.756 20 0 BFADLP Cn1cc[nH+]c1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000212181080 411144495 /nfs/dbraw/zinc/14/44/95/411144495.db2.gz PYUXHHZHJZXLQU-ZDUSSCGKSA-N 2 2 227.311 2.512 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000651828440 411146692 /nfs/dbraw/zinc/14/66/92/411146692.db2.gz KBQVZPVAJPOWJK-ZIAGYGMSSA-N 2 2 235.375 2.521 20 0 BFADLP Cc1ccoc1C[NH2+]CCC[N@@H+](C)CC(C)C ZINC000651866146 411147945 /nfs/dbraw/zinc/14/79/45/411147945.db2.gz WVZQCPAHKPAYPD-UHFFFAOYSA-N 2 2 238.375 2.656 20 0 BFADLP Cc1ccoc1C[NH2+]CCC[N@H+](C)CC(C)C ZINC000651866146 411147946 /nfs/dbraw/zinc/14/79/46/411147946.db2.gz WVZQCPAHKPAYPD-UHFFFAOYSA-N 2 2 238.375 2.656 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658096056 411243598 /nfs/dbraw/zinc/24/35/98/411243598.db2.gz NIYBJRKNWGSTKO-FQUUOJAGSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000658096056 411243600 /nfs/dbraw/zinc/24/36/00/411243600.db2.gz NIYBJRKNWGSTKO-FQUUOJAGSA-N 2 2 236.403 2.637 20 0 BFADLP Clc1cscc1C[NH2+]CCC[NH+]1CCC1 ZINC000655754502 411184934 /nfs/dbraw/zinc/18/49/34/411184934.db2.gz YDRPZADXUYGQRD-UHFFFAOYSA-N 2 2 244.791 2.587 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+](C1CC1)C1CCCCC1 ZINC000656411519 411244253 /nfs/dbraw/zinc/24/42/53/411244253.db2.gz TZIDUPJSMVVOIX-UHFFFAOYSA-N 2 2 247.386 2.760 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+](C1CC1)C1CCCCC1 ZINC000656411519 411244255 /nfs/dbraw/zinc/24/42/55/411244255.db2.gz TZIDUPJSMVVOIX-UHFFFAOYSA-N 2 2 247.386 2.760 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000658096924 411245012 /nfs/dbraw/zinc/24/50/12/411245012.db2.gz UOVQCGIIWGUJME-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CCC2(C)C)C1 ZINC000658096924 411245014 /nfs/dbraw/zinc/24/50/14/411245014.db2.gz UOVQCGIIWGUJME-RYUDHWBXSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)C1CC([NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000658064087 411229243 /nfs/dbraw/zinc/22/92/43/411229243.db2.gz YUZGZQJSEORBMN-JXQTWKCFSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C1CC([NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000658064087 411229246 /nfs/dbraw/zinc/22/92/46/411229246.db2.gz YUZGZQJSEORBMN-JXQTWKCFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CCC1 ZINC000658090411 411240996 /nfs/dbraw/zinc/24/09/96/411240996.db2.gz HGRCTCSIQKWFHH-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CCC1 ZINC000658090411 411240999 /nfs/dbraw/zinc/24/09/99/411240999.db2.gz HGRCTCSIQKWFHH-WCQYABFASA-N 2 2 224.392 2.637 20 0 BFADLP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091900 411241769 /nfs/dbraw/zinc/24/17/69/411241769.db2.gz NTSUWYVGMJOADO-NEPJUHHUSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091900 411241771 /nfs/dbraw/zinc/24/17/71/411241771.db2.gz NTSUWYVGMJOADO-NEPJUHHUSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[NH+](C)CC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655710644 411263512 /nfs/dbraw/zinc/26/35/12/411263512.db2.gz BGKQTCHAXPWJFB-CHWSQXEVSA-N 2 2 244.448 2.592 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000658283290 411321679 /nfs/dbraw/zinc/32/16/79/411321679.db2.gz BMLDGBHNQXUQPY-BARDWOONSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000658283290 411321681 /nfs/dbraw/zinc/32/16/81/411321681.db2.gz BMLDGBHNQXUQPY-BARDWOONSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccncc2)C1 ZINC000658286120 411322269 /nfs/dbraw/zinc/32/22/69/411322269.db2.gz OWKRARNXDOCDOA-CABCVRRESA-N 2 2 247.386 2.607 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](CC)c2ccncc2)C1 ZINC000658286120 411322271 /nfs/dbraw/zinc/32/22/71/411322271.db2.gz OWKRARNXDOCDOA-CABCVRRESA-N 2 2 247.386 2.607 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccncc1 ZINC000656677205 411322456 /nfs/dbraw/zinc/32/24/56/411322456.db2.gz RZUCGMCZTXFLER-OCCSQVGLSA-N 2 2 247.386 2.605 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C)c1ccncc1 ZINC000656677205 411322462 /nfs/dbraw/zinc/32/24/62/411322462.db2.gz RZUCGMCZTXFLER-OCCSQVGLSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000658285243 411323267 /nfs/dbraw/zinc/32/32/67/411323267.db2.gz JGQQCLJGYBESFI-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)(C)C)C1 ZINC000658285243 411323269 /nfs/dbraw/zinc/32/32/69/411323269.db2.gz JGQQCLJGYBESFI-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000660128410 411249306 /nfs/dbraw/zinc/24/93/06/411249306.db2.gz LYRUVVBDNLSIIL-CQSZACIVSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000660128410 411249309 /nfs/dbraw/zinc/24/93/09/411249309.db2.gz LYRUVVBDNLSIIL-CQSZACIVSA-N 2 2 247.386 2.790 20 0 BFADLP C([C@H]1CCC[N@H+]1C[C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCCC1 ZINC000659870980 411355780 /nfs/dbraw/zinc/35/57/80/411355780.db2.gz KGSPLBSZAIFZAM-QKPAOTATSA-N 2 2 248.414 2.593 20 0 BFADLP C([C@H]1CCC[N@@H+]1C[C@@H]1C[C@H]2C[C@H]2C1)[NH+]1CCCC1 ZINC000659870980 411355782 /nfs/dbraw/zinc/35/57/82/411355782.db2.gz KGSPLBSZAIFZAM-QKPAOTATSA-N 2 2 248.414 2.593 20 0 BFADLP C[N@H+](Cc1ccc(C(F)F)cc1)CC(C)(C)[NH3+] ZINC000656785874 411364529 /nfs/dbraw/zinc/36/45/29/411364529.db2.gz SCAWRMBOZKYANY-UHFFFAOYSA-N 2 2 242.313 2.793 20 0 BFADLP C[N@@H+](Cc1ccc(C(F)F)cc1)CC(C)(C)[NH3+] ZINC000656785874 411364532 /nfs/dbraw/zinc/36/45/32/411364532.db2.gz SCAWRMBOZKYANY-UHFFFAOYSA-N 2 2 242.313 2.793 20 0 BFADLP CC(C)(C)CCC[N@@H+]1CCn2c[nH+]cc2C1 ZINC000660582026 411335778 /nfs/dbraw/zinc/33/57/78/411335778.db2.gz MXEQXOHFNUEXGT-UHFFFAOYSA-N 2 2 221.348 2.525 20 0 BFADLP CC(C)(C)CCC[N@H+]1CCn2c[nH+]cc2C1 ZINC000660582026 411335779 /nfs/dbraw/zinc/33/57/79/411335779.db2.gz MXEQXOHFNUEXGT-UHFFFAOYSA-N 2 2 221.348 2.525 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000358224688 168111973 /nfs/dbraw/zinc/11/19/73/168111973.db2.gz MMLYMIHSYYWZII-AWEZNQCLSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)C2CCCC2)CC1 ZINC000358224688 168111974 /nfs/dbraw/zinc/11/19/74/168111974.db2.gz MMLYMIHSYYWZII-AWEZNQCLSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000358225508 168112089 /nfs/dbraw/zinc/11/20/89/168112089.db2.gz KZIIEYWABKMYRK-HNNXBMFYSA-N 2 2 244.382 2.989 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000358225508 168112092 /nfs/dbraw/zinc/11/20/92/168112092.db2.gz KZIIEYWABKMYRK-HNNXBMFYSA-N 2 2 244.382 2.989 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@H](C)CC(C)C)CC1 ZINC000336690920 168113720 /nfs/dbraw/zinc/11/37/20/168113720.db2.gz WNZPXBMCXXDFPL-CQSZACIVSA-N 2 2 224.392 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@H](C)CC(C)C)CC1 ZINC000336690920 168113722 /nfs/dbraw/zinc/11/37/22/168113722.db2.gz WNZPXBMCXXDFPL-CQSZACIVSA-N 2 2 224.392 2.663 20 0 BFADLP CC1=CC[C@@H]([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000283928116 168117053 /nfs/dbraw/zinc/11/70/53/168117053.db2.gz DXVRPCVWDBBBKU-CQSZACIVSA-N 2 2 245.370 2.972 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)Cn2cc[nH+]c2)C1 ZINC000289756353 168131276 /nfs/dbraw/zinc/13/12/76/168131276.db2.gz FRCGHERATXGAHH-CFVMTHIKSA-N 2 2 247.386 2.854 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCC12CCCC2 ZINC000353314586 411389828 /nfs/dbraw/zinc/38/98/28/411389828.db2.gz NBJAVHSTXJMSBN-STQMWFEESA-N 2 2 233.359 2.584 20 0 BFADLP Cc1[nH+]cc(C[NH2+]CCC2CCCCC2)n1C ZINC000657299965 411455188 /nfs/dbraw/zinc/45/51/88/411455188.db2.gz DLCLBBFTFORQSH-UHFFFAOYSA-N 2 2 235.375 2.789 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC000653589865 411425882 /nfs/dbraw/zinc/42/58/82/411425882.db2.gz AGVYOHOOQDLUJA-CQSZACIVSA-N 2 2 245.370 2.710 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC2=CCCCC2)C1 ZINC000653589865 411425885 /nfs/dbraw/zinc/42/58/85/411425885.db2.gz AGVYOHOOQDLUJA-CQSZACIVSA-N 2 2 245.370 2.710 20 0 BFADLP CC[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H](C)C(C)C ZINC000414683138 411439060 /nfs/dbraw/zinc/43/90/60/411439060.db2.gz AQVMTMGAQYPAPZ-OLZOCXBDSA-N 2 2 214.397 2.726 20 0 BFADLP CC[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H](C)C(C)C ZINC000414683138 411439063 /nfs/dbraw/zinc/43/90/63/411439063.db2.gz AQVMTMGAQYPAPZ-OLZOCXBDSA-N 2 2 214.397 2.726 20 0 BFADLP c1[nH+]c2n(c1C[NH2+]CCC1=CCCCC1)CCC2 ZINC000657285250 411442922 /nfs/dbraw/zinc/44/29/22/411442922.db2.gz ZZKFUGOUAHNSBG-UHFFFAOYSA-N 2 2 245.370 2.809 20 0 BFADLP c1cn(CC[NH2+]C2CCC(C3CCC3)CC2)c[nH+]1 ZINC000657289409 411450893 /nfs/dbraw/zinc/45/08/93/411450893.db2.gz QFXKYXLMXKBXLO-UHFFFAOYSA-N 2 2 247.386 2.832 20 0 BFADLP C(C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1)C1CCC1 ZINC000659871698 411484535 /nfs/dbraw/zinc/48/45/35/411484535.db2.gz WJNANNSEKJQANR-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP C(C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1)C1CCC1 ZINC000659871698 411484538 /nfs/dbraw/zinc/48/45/38/411484538.db2.gz WJNANNSEKJQANR-OAHLLOKOSA-N 2 2 236.403 2.737 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)n1C ZINC000657372813 411486259 /nfs/dbraw/zinc/48/62/59/411486259.db2.gz XWBHGUCYBVSSGF-QWRGUYRKSA-N 2 2 235.375 2.643 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000660069068 411533591 /nfs/dbraw/zinc/53/35/91/411533591.db2.gz XEWODRDDVBCJBM-CQSZACIVSA-N 2 2 224.392 2.805 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000660069068 411533592 /nfs/dbraw/zinc/53/35/92/411533592.db2.gz XEWODRDDVBCJBM-CQSZACIVSA-N 2 2 224.392 2.805 20 0 BFADLP CCC1(C[NH2+]Cc2c[nH+]c3n2CCC3)CCCC1 ZINC000657397030 411493828 /nfs/dbraw/zinc/49/38/28/411493828.db2.gz JUDRQCIFTPYVOR-UHFFFAOYSA-N 2 2 247.386 2.889 20 0 BFADLP CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657478597 411525829 /nfs/dbraw/zinc/52/58/29/411525829.db2.gz MIIYHPQDUZZOQU-CHWSQXEVSA-N 2 2 247.386 2.745 20 0 BFADLP C[C@H]1CCCC[C@]1(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657486789 411530588 /nfs/dbraw/zinc/53/05/88/411530588.db2.gz BCDRMALLSBCQTQ-WFASDCNBSA-N 2 2 247.386 2.888 20 0 BFADLP c1ccc(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655856630 411539643 /nfs/dbraw/zinc/53/96/43/411539643.db2.gz PNUODUMWPAIXIX-JKSUJKDBSA-N 2 2 244.382 2.793 20 0 BFADLP c1ccc(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000655856630 411539646 /nfs/dbraw/zinc/53/96/46/411539646.db2.gz PNUODUMWPAIXIX-JKSUJKDBSA-N 2 2 244.382 2.793 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000360047170 170040205 /nfs/dbraw/zinc/04/02/05/170040205.db2.gz SZMWNNWSBQKQOB-FPMFFAJLSA-N 2 2 248.370 2.587 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3occc32)C1 ZINC000360047170 170040207 /nfs/dbraw/zinc/04/02/07/170040207.db2.gz SZMWNNWSBQKQOB-FPMFFAJLSA-N 2 2 248.370 2.587 20 0 BFADLP C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848437 411535683 /nfs/dbraw/zinc/53/56/83/411535683.db2.gz FDJQXOLYWJONIS-ZNMIVQPWSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848437 411535684 /nfs/dbraw/zinc/53/56/84/411535684.db2.gz FDJQXOLYWJONIS-ZNMIVQPWSA-N 2 2 248.414 2.926 20 0 BFADLP C1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655849136 411536744 /nfs/dbraw/zinc/53/67/44/411536744.db2.gz NLIGPQJPNURACG-LSDHHAIUSA-N 2 2 236.403 2.926 20 0 BFADLP C1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000655849136 411536746 /nfs/dbraw/zinc/53/67/46/411536746.db2.gz NLIGPQJPNURACG-LSDHHAIUSA-N 2 2 236.403 2.926 20 0 BFADLP C1CCC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655849134 411536857 /nfs/dbraw/zinc/53/68/57/411536857.db2.gz NLIGPQJPNURACG-GJZGRUSLSA-N 2 2 236.403 2.926 20 0 BFADLP C1CCC([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000655849134 411536858 /nfs/dbraw/zinc/53/68/58/411536858.db2.gz NLIGPQJPNURACG-GJZGRUSLSA-N 2 2 236.403 2.926 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849383 411537850 /nfs/dbraw/zinc/53/78/50/411537850.db2.gz URMVHBXOIBFYBB-LXTVHRRPSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849383 411537852 /nfs/dbraw/zinc/53/78/52/411537852.db2.gz URMVHBXOIBFYBB-LXTVHRRPSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000655849351 411537911 /nfs/dbraw/zinc/53/79/11/411537911.db2.gz ULZKBBGZFZQFLD-UONOGXRCSA-N 2 2 236.403 2.782 20 0 BFADLP CC1(C)CC([NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000655849351 411537913 /nfs/dbraw/zinc/53/79/13/411537913.db2.gz ULZKBBGZFZQFLD-UONOGXRCSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655849385 411538145 /nfs/dbraw/zinc/53/81/45/411538145.db2.gz URMVHBXOIBFYBB-QPSCCSFWSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655849385 411538147 /nfs/dbraw/zinc/53/81/47/411538147.db2.gz URMVHBXOIBFYBB-QPSCCSFWSA-N 2 2 236.403 2.782 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1cc2ccccc2s1 ZINC000161309443 170115482 /nfs/dbraw/zinc/11/54/82/170115482.db2.gz BEMGYLROXOUCDA-UHFFFAOYSA-N 2 2 234.368 2.600 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000228714818 170115813 /nfs/dbraw/zinc/11/58/13/170115813.db2.gz NRJSCCUOYDOXPP-UHFFFAOYSA-N 2 2 234.387 2.683 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000657562358 411552122 /nfs/dbraw/zinc/55/21/22/411552122.db2.gz GGAGYFPIKYSELW-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]CC2(C)CCC2)C1 ZINC000657562358 411552123 /nfs/dbraw/zinc/55/21/23/411552123.db2.gz GGAGYFPIKYSELW-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657578937 411554139 /nfs/dbraw/zinc/55/41/39/411554139.db2.gz NJCITUPFNSZJRG-NSHDSACASA-N 2 2 235.375 2.744 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]Cc1c[nH+]c(C)n1C ZINC000657580559 411554799 /nfs/dbraw/zinc/55/47/99/411554799.db2.gz WNYZXMFOFJNRMU-JTQLQIEISA-N 2 2 223.364 2.643 20 0 BFADLP CC[C@H](C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000657587206 411557766 /nfs/dbraw/zinc/55/77/66/411557766.db2.gz SFMHBNKPTDEFAF-RWMBFGLXSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H](C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000657587206 411557768 /nfs/dbraw/zinc/55/77/68/411557768.db2.gz SFMHBNKPTDEFAF-RWMBFGLXSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1cccn2c(C[NH2+]CCC(C)(C)F)c[nH+]c12 ZINC000657645311 411568726 /nfs/dbraw/zinc/56/87/26/411568726.db2.gz RQSWFKXAXQQVDY-UHFFFAOYSA-N 2 2 249.333 2.871 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCC1CCC1 ZINC000660549260 411599017 /nfs/dbraw/zinc/59/90/17/411599017.db2.gz KTQSPBMPELBYSI-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCC1CCC1 ZINC000660549260 411599018 /nfs/dbraw/zinc/59/90/18/411599018.db2.gz KTQSPBMPELBYSI-HIFRSBDPSA-N 2 2 236.403 2.735 20 0 BFADLP C[C@H]1CCC[C@H](CC[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660577646 411602822 /nfs/dbraw/zinc/60/28/22/411602822.db2.gz IPMLTYHDJCDOOX-UONOGXRCSA-N 2 2 247.386 2.915 20 0 BFADLP C[C@H]1CCC[C@H](CC[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000660577646 411602824 /nfs/dbraw/zinc/60/28/24/411602824.db2.gz IPMLTYHDJCDOOX-UONOGXRCSA-N 2 2 247.386 2.915 20 0 BFADLP CC[N@H+](CC[NH2+][C@H](C)C(C)(C)C(F)F)C1CC1 ZINC000657865844 411613076 /nfs/dbraw/zinc/61/30/76/411613076.db2.gz UCKWVQJHRIEMDA-SNVBAGLBSA-N 2 2 248.361 2.740 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H](C)C(C)(C)C(F)F)C1CC1 ZINC000657865844 411613078 /nfs/dbraw/zinc/61/30/78/411613078.db2.gz UCKWVQJHRIEMDA-SNVBAGLBSA-N 2 2 248.361 2.740 20 0 BFADLP C[N@H+](CC1CC=CC1)C(C)(C)C[NH+]1CCCC1 ZINC000660825696 411646375 /nfs/dbraw/zinc/64/63/75/411646375.db2.gz JZJLZXZWIQGRRS-UHFFFAOYSA-N 2 2 236.403 2.759 20 0 BFADLP C[N@@H+](CC1CC=CC1)C(C)(C)C[NH+]1CCCC1 ZINC000660825696 411646379 /nfs/dbraw/zinc/64/63/79/411646379.db2.gz JZJLZXZWIQGRRS-UHFFFAOYSA-N 2 2 236.403 2.759 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)s1 ZINC000663508088 411689288 /nfs/dbraw/zinc/68/92/88/411689288.db2.gz ICHCJAWQHYCFHX-SNVBAGLBSA-N 2 2 240.416 2.743 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000663508027 411689353 /nfs/dbraw/zinc/68/93/53/411689353.db2.gz GUSPJVKAEPKOER-LBPRGKRZSA-N 2 2 246.354 2.747 20 0 BFADLP CCc1oc2ccccc2c1C[NH2+][C@H](C)C[NH2+]C ZINC000663509438 411693017 /nfs/dbraw/zinc/69/30/17/411693017.db2.gz XXKDEAFFLUTFTR-LLVKDONJSA-N 2 2 246.354 2.693 20 0 BFADLP Cc1cc[nH+]c(NCC[C@@H](C)[NH+](C)C)c1Cl ZINC000664246851 411896462 /nfs/dbraw/zinc/89/64/62/411896462.db2.gz YYKCFJFBUIRZOZ-SNVBAGLBSA-N 2 2 241.766 2.796 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+]CCc1cc[nH+]cc1C ZINC000090847126 170791403 /nfs/dbraw/zinc/79/14/03/170791403.db2.gz SMZUCQVPTXPIOH-YPMHNXCESA-N 2 2 220.360 2.957 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000661861754 411906365 /nfs/dbraw/zinc/90/63/65/411906365.db2.gz WNGDBDNWVOGYAY-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000661861754 411906367 /nfs/dbraw/zinc/90/63/67/411906367.db2.gz WNGDBDNWVOGYAY-ZIAGYGMSSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H](C)C[C@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000041050908 170854735 /nfs/dbraw/zinc/85/47/35/170854735.db2.gz TVPFTJKNQMGRRS-OLZOCXBDSA-N 2 2 223.364 2.688 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+]CC[NH+]1CCCC1 ZINC000116382434 170856515 /nfs/dbraw/zinc/85/65/15/170856515.db2.gz DRLGDENCJGYVBI-INIZCTEOSA-N 2 2 246.398 2.693 20 0 BFADLP Cc1cccc(N[C@@H](C)C[NH+]2CCC(C)CC2)[nH+]1 ZINC000664456018 411962941 /nfs/dbraw/zinc/96/29/41/411962941.db2.gz GVPVDASYXYHOLB-AWEZNQCLSA-N 2 2 247.386 2.922 20 0 BFADLP CC(C)(C)c1cccc(C[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000662236527 412035602 /nfs/dbraw/zinc/03/56/02/412035602.db2.gz ZRTYKKODGZWAOO-HNNXBMFYSA-N 2 2 246.398 2.907 20 0 BFADLP CC(C)(C)c1cccc(C[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000662236527 412035605 /nfs/dbraw/zinc/03/56/05/412035605.db2.gz ZRTYKKODGZWAOO-HNNXBMFYSA-N 2 2 246.398 2.907 20 0 BFADLP Cc1c[nH+]ccc1CC[N@@H+](C)CC1=CCSC1 ZINC000662266177 412057417 /nfs/dbraw/zinc/05/74/17/412057417.db2.gz FZHDRUXIHPXKFY-UHFFFAOYSA-N 2 2 248.395 2.538 20 0 BFADLP Cc1c[nH+]ccc1CC[N@H+](C)CC1=CCSC1 ZINC000662266177 412057419 /nfs/dbraw/zinc/05/74/19/412057419.db2.gz FZHDRUXIHPXKFY-UHFFFAOYSA-N 2 2 248.395 2.538 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000310001810 171042002 /nfs/dbraw/zinc/04/20/02/171042002.db2.gz FECWVBKCWRCJFL-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000310001810 171042003 /nfs/dbraw/zinc/04/20/03/171042003.db2.gz FECWVBKCWRCJFL-MJBXVCDLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](CC(C)C)[NH+](C)C ZINC000309453791 171059407 /nfs/dbraw/zinc/05/94/07/171059407.db2.gz LVKUUFCWUAPVPX-MGPQQGTHSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)=CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000662273925 412065735 /nfs/dbraw/zinc/06/57/35/412065735.db2.gz BIHQFOLCERYWBO-LSDHHAIUSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)=CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000662273925 412065737 /nfs/dbraw/zinc/06/57/37/412065737.db2.gz BIHQFOLCERYWBO-LSDHHAIUSA-N 2 2 236.403 2.949 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[N@H+](C)CC ZINC000310000555 171126395 /nfs/dbraw/zinc/12/63/95/171126395.db2.gz DSCKSYGMLCEMDN-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[N@@H+](C)CC ZINC000310000555 171126399 /nfs/dbraw/zinc/12/63/99/171126399.db2.gz DSCKSYGMLCEMDN-MGPQQGTHSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H](c1ccccc1)[NH+](C)C ZINC000020094199 171285174 /nfs/dbraw/zinc/28/51/74/171285174.db2.gz PZBHCDZVIBMFLW-ZFWWWQNUSA-N 2 2 234.387 2.925 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000357354890 171285884 /nfs/dbraw/zinc/28/58/84/171285884.db2.gz MWLUAUTUAIWCAQ-WCQYABFASA-N 2 2 235.375 2.705 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]CC[NH+]1CCCC1 ZINC000020126994 171296290 /nfs/dbraw/zinc/29/62/90/171296290.db2.gz WHJXXLDUXSORPA-UONOGXRCSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000358194224 171298045 /nfs/dbraw/zinc/29/80/45/171298045.db2.gz SBUHIFKGTUUAHH-SFDCQRBFSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000358194224 171298047 /nfs/dbraw/zinc/29/80/47/171298047.db2.gz SBUHIFKGTUUAHH-SFDCQRBFSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H](C)[NH2+]CCCc1c[nH+]ccc1C ZINC000289235937 171340507 /nfs/dbraw/zinc/34/05/07/171340507.db2.gz KRBNNPSBQALYFG-LBPRGKRZSA-N 2 2 206.333 2.711 20 0 BFADLP CC[C@H](C)[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000361496895 171343092 /nfs/dbraw/zinc/34/30/92/171343092.db2.gz NFYZZRAHKVPWLU-LBPRGKRZSA-N 2 2 229.327 2.760 20 0 BFADLP C[N@H+](Cc1cccc(C(F)F)c1)CC(C)(C)[NH3+] ZINC000662294777 412082305 /nfs/dbraw/zinc/08/23/05/412082305.db2.gz NFWYSSSFXRJZOL-UHFFFAOYSA-N 2 2 242.313 2.793 20 0 BFADLP C[N@@H+](Cc1cccc(C(F)F)c1)CC(C)(C)[NH3+] ZINC000662294777 412082307 /nfs/dbraw/zinc/08/23/07/412082307.db2.gz NFWYSSSFXRJZOL-UHFFFAOYSA-N 2 2 242.313 2.793 20 0 BFADLP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCn1cc[nH+]c1 ZINC000346281319 171381653 /nfs/dbraw/zinc/38/16/53/171381653.db2.gz TTXJXCCQVYGUCA-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCn1cc[nH+]c1 ZINC000346281319 171381655 /nfs/dbraw/zinc/38/16/55/171381655.db2.gz TTXJXCCQVYGUCA-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CCCCC[C@H]1CCCC[N@@H+]1C[C@@H](C)[NH3+] ZINC000662318611 412099284 /nfs/dbraw/zinc/09/92/84/412099284.db2.gz CLFIYHFFBINSDG-OLZOCXBDSA-N 2 2 212.381 2.768 20 0 BFADLP CCCCC[C@H]1CCCC[N@H+]1C[C@@H](C)[NH3+] ZINC000662318611 412099287 /nfs/dbraw/zinc/09/92/87/412099287.db2.gz CLFIYHFFBINSDG-OLZOCXBDSA-N 2 2 212.381 2.768 20 0 BFADLP CCc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)o1 ZINC000665248917 412195488 /nfs/dbraw/zinc/19/54/88/412195488.db2.gz FVRXGTXUTRMZIK-NSHDSACASA-N 2 2 236.359 2.764 20 0 BFADLP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccc(C)cc1 ZINC000234054160 171528079 /nfs/dbraw/zinc/52/80/79/171528079.db2.gz VFXGPZWDPWJCMD-CABCVRRESA-N 2 2 232.371 2.788 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)s1 ZINC000665293659 412238911 /nfs/dbraw/zinc/23/89/11/412238911.db2.gz AHCCVRMKVFJTNY-NXEZZACHSA-N 2 2 226.389 2.569 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC000665294453 412239124 /nfs/dbraw/zinc/23/91/24/412239124.db2.gz PDJODZRUXUZQSV-NXEZZACHSA-N 2 2 226.751 2.599 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C)C[NH2+]C)s1 ZINC000665293661 412239372 /nfs/dbraw/zinc/23/93/72/412239372.db2.gz AHCCVRMKVFJTNY-VHSXEESVSA-N 2 2 226.389 2.569 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000665294058 412239659 /nfs/dbraw/zinc/23/96/59/412239659.db2.gz HIVWIAPNPRHECL-RNCFNFMXSA-N 2 2 238.762 2.525 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1cccc(Cl)c1 ZINC000665294508 412240809 /nfs/dbraw/zinc/24/08/09/412240809.db2.gz QBEJMJRJMLDNEF-MFKMUULPSA-N 2 2 240.778 2.989 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000665294744 412240844 /nfs/dbraw/zinc/24/08/44/412240844.db2.gz VNYKHDXFGTZPNX-CHWSQXEVSA-N 2 2 246.398 2.824 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000665294746 412241347 /nfs/dbraw/zinc/24/13/47/412241347.db2.gz VNYKHDXFGTZPNX-QWHCGFSZSA-N 2 2 246.398 2.824 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000665296262 412242695 /nfs/dbraw/zinc/24/26/95/412242695.db2.gz PQTUKSTZHISZRT-IUODEOHRSA-N 2 2 232.371 2.725 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000665296102 412242834 /nfs/dbraw/zinc/24/28/34/412242834.db2.gz MTUDVUKCNFRJAV-RISCZKNCSA-N 2 2 232.371 2.607 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337988371 172396316 /nfs/dbraw/zinc/39/63/16/172396316.db2.gz WOMFMKVMXDQGGM-STQMWFEESA-N 2 2 244.398 2.835 20 0 BFADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](C)(F)C1 ZINC000336268848 173004121 /nfs/dbraw/zinc/00/41/21/173004121.db2.gz RNSAARVTLLUOBX-KGLIPLIRSA-N 2 2 242.382 2.685 20 0 BFADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](C)(F)C1 ZINC000336268848 173004122 /nfs/dbraw/zinc/00/41/22/173004122.db2.gz RNSAARVTLLUOBX-KGLIPLIRSA-N 2 2 242.382 2.685 20 0 BFADLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@](C)(F)C1 ZINC000336268848 173004125 /nfs/dbraw/zinc/00/41/25/173004125.db2.gz RNSAARVTLLUOBX-KGLIPLIRSA-N 2 2 242.382 2.685 20 0 BFADLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@](C)(F)C1 ZINC000336268848 173004126 /nfs/dbraw/zinc/00/41/26/173004126.db2.gz RNSAARVTLLUOBX-KGLIPLIRSA-N 2 2 242.382 2.685 20 0 BFADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](C)(F)C1 ZINC000336268847 173007796 /nfs/dbraw/zinc/00/77/96/173007796.db2.gz RNSAARVTLLUOBX-KBPBESRZSA-N 2 2 242.382 2.685 20 0 BFADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](C)(F)C1 ZINC000336268847 173007797 /nfs/dbraw/zinc/00/77/97/173007797.db2.gz RNSAARVTLLUOBX-KBPBESRZSA-N 2 2 242.382 2.685 20 0 BFADLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@](C)(F)C1 ZINC000336268847 173007800 /nfs/dbraw/zinc/00/78/00/173007800.db2.gz RNSAARVTLLUOBX-KBPBESRZSA-N 2 2 242.382 2.685 20 0 BFADLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@](C)(F)C1 ZINC000336268847 173007806 /nfs/dbraw/zinc/00/78/06/173007806.db2.gz RNSAARVTLLUOBX-KBPBESRZSA-N 2 2 242.382 2.685 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000040672289 173046971 /nfs/dbraw/zinc/04/69/71/173046971.db2.gz DTDVFQRNVNRUMA-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]Cc2cccc(Cl)c2)C1 ZINC000040672289 173046973 /nfs/dbraw/zinc/04/69/73/173046973.db2.gz DTDVFQRNVNRUMA-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000042543724 173124291 /nfs/dbraw/zinc/12/42/91/173124291.db2.gz NUZBXVAHJAHGQI-OAHLLOKOSA-N 2 2 246.398 2.778 20 0 BFADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000042543724 173124294 /nfs/dbraw/zinc/12/42/94/173124294.db2.gz NUZBXVAHJAHGQI-OAHLLOKOSA-N 2 2 246.398 2.778 20 0 BFADLP C[NH2+]CCC[N@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000124766336 173346289 /nfs/dbraw/zinc/34/62/89/173346289.db2.gz OHGYRKDVALNDMX-SNVBAGLBSA-N 2 2 242.313 2.567 20 0 BFADLP C[NH2+]CCC[N@@H+](C)[C@H](C)c1cc(F)ccc1F ZINC000124766336 173346290 /nfs/dbraw/zinc/34/62/90/173346290.db2.gz OHGYRKDVALNDMX-SNVBAGLBSA-N 2 2 242.313 2.567 20 0 BFADLP C[NH2+]C[C@@H](C)CNc1ccc2ccccc2[nH+]1 ZINC000129564766 173364347 /nfs/dbraw/zinc/36/43/47/173364347.db2.gz MZFFJASDPHMOKM-LLVKDONJSA-N 2 2 229.327 2.502 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1coc2ccccc12 ZINC000133031423 173380505 /nfs/dbraw/zinc/38/05/05/173380505.db2.gz AECZZGAUUYQBTE-CYBMUJFWSA-N 2 2 244.338 2.617 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1coc2ccccc12 ZINC000133031423 173380507 /nfs/dbraw/zinc/38/05/07/173380507.db2.gz AECZZGAUUYQBTE-CYBMUJFWSA-N 2 2 244.338 2.617 20 0 BFADLP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H]([NH3+])C1 ZINC000226541924 176017330 /nfs/dbraw/zinc/01/73/30/176017330.db2.gz IBVMLHLPBBAQLT-BLLLJJGKSA-N 2 2 240.350 2.934 20 0 BFADLP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H]([NH3+])C1 ZINC000226541924 176017332 /nfs/dbraw/zinc/01/73/32/176017332.db2.gz IBVMLHLPBBAQLT-BLLLJJGKSA-N 2 2 240.350 2.934 20 0 BFADLP C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235333776 176025067 /nfs/dbraw/zinc/02/50/67/176025067.db2.gz YYLFQYYRDMIALZ-NRUUGDAUSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000235333776 176025068 /nfs/dbraw/zinc/02/50/68/176025068.db2.gz YYLFQYYRDMIALZ-NRUUGDAUSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000192390335 176051606 /nfs/dbraw/zinc/05/16/06/176051606.db2.gz FWLZQHMZRHKHMW-OLZOCXBDSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337411645 176071037 /nfs/dbraw/zinc/07/10/37/176071037.db2.gz WMJOPMOSZSBINR-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CC[NH2+][C@H]1CCC12CCC2 ZINC000337411645 176071039 /nfs/dbraw/zinc/07/10/39/176071039.db2.gz WMJOPMOSZSBINR-KGLIPLIRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccoc1 ZINC000062103440 176071395 /nfs/dbraw/zinc/07/13/95/176071395.db2.gz RQVXTQORGNUAFE-CYBMUJFWSA-N 2 2 236.359 2.634 20 0 BFADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccoc1 ZINC000062103440 176071398 /nfs/dbraw/zinc/07/13/98/176071398.db2.gz RQVXTQORGNUAFE-CYBMUJFWSA-N 2 2 236.359 2.634 20 0 BFADLP C[C@@H]1CCCC[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000183471929 176073577 /nfs/dbraw/zinc/07/35/77/176073577.db2.gz SWWJRWQIPBLWCO-GFCCVEGCSA-N 2 2 229.327 2.709 20 0 BFADLP C[C@@H]1CCCC[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000183471929 176073579 /nfs/dbraw/zinc/07/35/79/176073579.db2.gz SWWJRWQIPBLWCO-GFCCVEGCSA-N 2 2 229.327 2.709 20 0 BFADLP C[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)[C@@H]1C[NH3+] ZINC000070177851 176096528 /nfs/dbraw/zinc/09/65/28/176096528.db2.gz TYONOIQAFLMFIA-YHOLHYGNSA-N 2 2 244.382 2.759 20 0 BFADLP C[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)[C@@H]1C[NH3+] ZINC000070177851 176096529 /nfs/dbraw/zinc/09/65/29/176096529.db2.gz TYONOIQAFLMFIA-YHOLHYGNSA-N 2 2 244.382 2.759 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000042254557 176123486 /nfs/dbraw/zinc/12/34/86/176123486.db2.gz OPKIORMBEHQLPA-ZIAGYGMSSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000042254549 176143492 /nfs/dbraw/zinc/14/34/92/176143492.db2.gz OPKIORMBEHQLPA-KGLIPLIRSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000120162961 176167372 /nfs/dbraw/zinc/16/73/72/176167372.db2.gz WNXGRLKMPIYGGJ-OCCSQVGLSA-N 2 2 233.359 2.709 20 0 BFADLP C[C@@H]1CC[N@H+](C2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000120162961 176167375 /nfs/dbraw/zinc/16/73/75/176167375.db2.gz WNXGRLKMPIYGGJ-OCCSQVGLSA-N 2 2 233.359 2.709 20 0 BFADLP C[C@@H]1CC[N@H+](CC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000120204934 176167806 /nfs/dbraw/zinc/16/78/06/176167806.db2.gz IVLCTLWECZCFSO-HIFRSBDPSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CC[N@@H+](CC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000120204934 176167808 /nfs/dbraw/zinc/16/78/08/176167808.db2.gz IVLCTLWECZCFSO-HIFRSBDPSA-N 2 2 247.386 2.956 20 0 BFADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000300308879 176227292 /nfs/dbraw/zinc/22/72/92/176227292.db2.gz LIACPSTZMRUOKK-MQYQWHSLSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000300308879 176227293 /nfs/dbraw/zinc/22/72/93/176227293.db2.gz LIACPSTZMRUOKK-MQYQWHSLSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000340422901 176282442 /nfs/dbraw/zinc/28/24/42/176282442.db2.gz YURRBDVKVWNYQC-PTAYCEHPSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CC2CCC1CC2 ZINC000340422901 176282443 /nfs/dbraw/zinc/28/24/43/176282443.db2.gz YURRBDVKVWNYQC-PTAYCEHPSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000162084027 176295984 /nfs/dbraw/zinc/29/59/84/176295984.db2.gz GJQDNNQULIONEE-HIFRSBDPSA-N 2 2 241.338 2.576 20 0 BFADLP C[C@@H]1C[N@@H+](CCn2cc[nH+]c2)[C@@H]1c1ccccc1 ZINC000162084027 176295985 /nfs/dbraw/zinc/29/59/85/176295985.db2.gz GJQDNNQULIONEE-HIFRSBDPSA-N 2 2 241.338 2.576 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCCn2cc[nH+]c2)C1 ZINC000355779101 176366231 /nfs/dbraw/zinc/36/62/31/176366231.db2.gz GDQSBWFRBGOQEX-MGPQQGTHSA-N 2 2 235.375 2.640 20 0 BFADLP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000355779101 176366232 /nfs/dbraw/zinc/36/62/32/176366232.db2.gz GDQSBWFRBGOQEX-MGPQQGTHSA-N 2 2 235.375 2.640 20 0 BFADLP C[C@H](c1ccccn1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245623941 177043204 /nfs/dbraw/zinc/04/32/04/177043204.db2.gz OLUHMCSQUGEOJO-ZIAGYGMSSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1ccccn1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245623941 177043206 /nfs/dbraw/zinc/04/32/06/177043206.db2.gz OLUHMCSQUGEOJO-ZIAGYGMSSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1ccccn1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245623941 177043207 /nfs/dbraw/zinc/04/32/07/177043207.db2.gz OLUHMCSQUGEOJO-ZIAGYGMSSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1ccccn1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245623941 177043209 /nfs/dbraw/zinc/04/32/09/177043209.db2.gz OLUHMCSQUGEOJO-ZIAGYGMSSA-N 2 2 247.386 2.559 20 0 BFADLP C[C@H](c1ccco1)[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245625702 177047316 /nfs/dbraw/zinc/04/73/16/177047316.db2.gz OWUAJGCPYMCBEO-CHWSQXEVSA-N 2 2 236.359 2.757 20 0 BFADLP C[C@H](c1ccco1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000245625702 177047317 /nfs/dbraw/zinc/04/73/17/177047317.db2.gz OWUAJGCPYMCBEO-CHWSQXEVSA-N 2 2 236.359 2.757 20 0 BFADLP C[C@H](c1ccco1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000245625702 177047318 /nfs/dbraw/zinc/04/73/18/177047318.db2.gz OWUAJGCPYMCBEO-CHWSQXEVSA-N 2 2 236.359 2.757 20 0 BFADLP C[C@H](c1ccco1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000245625702 177047319 /nfs/dbraw/zinc/04/73/19/177047319.db2.gz OWUAJGCPYMCBEO-CHWSQXEVSA-N 2 2 236.359 2.757 20 0 BFADLP C[C@H](c1cccs1)[N@H+](C)Cc1c[nH+]cn1C ZINC000177012236 177049508 /nfs/dbraw/zinc/04/95/08/177049508.db2.gz SVPXVLMQXIEXSG-SNVBAGLBSA-N 2 2 235.356 2.675 20 0 BFADLP C[C@H](c1cccs1)[N@@H+](C)Cc1c[nH+]cn1C ZINC000177012236 177049509 /nfs/dbraw/zinc/04/95/09/177049509.db2.gz SVPXVLMQXIEXSG-SNVBAGLBSA-N 2 2 235.356 2.675 20 0 BFADLP C[C@H]1CCC[C@@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000336495373 177118962 /nfs/dbraw/zinc/11/89/62/177118962.db2.gz WCYGDSWUZKCPJA-QWHCGFSZSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@H]1CCC[C@@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000336495373 177118963 /nfs/dbraw/zinc/11/89/63/177118963.db2.gz WCYGDSWUZKCPJA-QWHCGFSZSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357799315 177235655 /nfs/dbraw/zinc/23/56/55/177235655.db2.gz SZZGNERGTKLPNM-LRDDRELGSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357799315 177235656 /nfs/dbraw/zinc/23/56/56/177235656.db2.gz SZZGNERGTKLPNM-LRDDRELGSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000352721451 177242919 /nfs/dbraw/zinc/24/29/19/177242919.db2.gz MHKZWQAYHVLHFS-XJKSGUPXSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC000352721451 177242921 /nfs/dbraw/zinc/24/29/21/177242921.db2.gz MHKZWQAYHVLHFS-XJKSGUPXSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000358361218 177243045 /nfs/dbraw/zinc/24/30/45/177243045.db2.gz AVIFFHKZDSRCHM-UPNFEZNFSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000358361218 177243046 /nfs/dbraw/zinc/24/30/46/177243046.db2.gz AVIFFHKZDSRCHM-UPNFEZNFSA-N 2 2 248.414 2.639 20 0 BFADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]C2CC[NH+](C)CC2)o1 ZINC000037249835 177351309 /nfs/dbraw/zinc/35/13/09/177351309.db2.gz BEXKTPNCWDWORY-FZMZJTMJSA-N 2 2 248.370 2.587 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000271747841 177355946 /nfs/dbraw/zinc/35/59/46/177355946.db2.gz UFZYHJWQWSMCAS-OLZOCXBDSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000271747841 177355947 /nfs/dbraw/zinc/35/59/47/177355947.db2.gz UFZYHJWQWSMCAS-OLZOCXBDSA-N 2 2 243.354 2.955 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400347258 225040137 /nfs/dbraw/zinc/04/01/37/225040137.db2.gz AKYPURBDSGCVTO-IPYPFGDCSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)[C@@H]1CC1(C)C ZINC000487277320 225295989 /nfs/dbraw/zinc/29/59/89/225295989.db2.gz MMYGALGHHXDOOA-STQMWFEESA-N 2 2 247.386 2.908 20 0 BFADLP Cc1ccc([C@H](C[NH2+]C[C@H]2C[C@H]2C)[NH+](C)C)cc1 ZINC000488429068 225395534 /nfs/dbraw/zinc/39/55/34/225395534.db2.gz WXJPCYMGRJGEDO-BMFZPTHFSA-N 2 2 246.398 2.843 20 0 BFADLP Cc1ccc([C@H](C[NH2+]C[C@@H]2C[C@H]2C)[NH+](C)C)cc1 ZINC000488429074 225396448 /nfs/dbraw/zinc/39/64/48/225396448.db2.gz WXJPCYMGRJGEDO-KBMXLJTQSA-N 2 2 246.398 2.843 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@H]1C)[NH+]1CCC(C)CC1 ZINC000494879914 226270676 /nfs/dbraw/zinc/27/06/76/226270676.db2.gz RBGBZDWKLRGIGE-KBUPBQIOSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2[N@H+](C)CCCC2(C)C)[C@H]1C ZINC000494947636 226272105 /nfs/dbraw/zinc/27/21/05/226272105.db2.gz ALDPHSHUWLIAHT-ZOBORPQBSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2[N@@H+](C)CCCC2(C)C)[C@H]1C ZINC000494947636 226272106 /nfs/dbraw/zinc/27/21/06/226272106.db2.gz ALDPHSHUWLIAHT-ZOBORPQBSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)[C@H]1C ZINC000495041949 226274981 /nfs/dbraw/zinc/27/49/81/226274981.db2.gz GEOOQDULCHPELQ-OSFYFWSMSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)[C@H]1C ZINC000495041949 226274982 /nfs/dbraw/zinc/27/49/82/226274982.db2.gz GEOOQDULCHPELQ-OSFYFWSMSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000400372557 226342156 /nfs/dbraw/zinc/34/21/56/226342156.db2.gz UKKZKEUABKEGTJ-MFKMUULPSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1CCCC[C@@]1(C)[NH2+]CCCn1cc[nH+]c1 ZINC000308714434 229245023 /nfs/dbraw/zinc/24/50/23/229245023.db2.gz SXWCAPSEVQCYTE-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000328442850 487688006 /nfs/dbraw/zinc/68/80/06/487688006.db2.gz BECRUEDFXBLNIU-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCC(C)C)C1 ZINC000328442850 487688011 /nfs/dbraw/zinc/68/80/11/487688011.db2.gz BECRUEDFXBLNIU-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000328442847 487688479 /nfs/dbraw/zinc/68/84/79/487688479.db2.gz BECRUEDFXBLNIU-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCC(C)C)C1 ZINC000328442847 487688484 /nfs/dbraw/zinc/68/84/84/487688484.db2.gz BECRUEDFXBLNIU-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@]1(C)CCC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667645208 487689802 /nfs/dbraw/zinc/68/98/02/487689802.db2.gz IJKHDADFFCHZSM-OAHLLOKOSA-N 2 2 247.386 2.841 20 0 BFADLP CC[C@]1(C)CCC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667645208 487689806 /nfs/dbraw/zinc/68/98/06/487689806.db2.gz IJKHDADFFCHZSM-OAHLLOKOSA-N 2 2 247.386 2.841 20 0 BFADLP C/C(Cl)=C/C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000528392942 262776735 /nfs/dbraw/zinc/77/67/35/262776735.db2.gz FKISYZIKJOEPBW-SGAXSIHGSA-N 2 2 239.750 2.732 20 0 BFADLP C1=CC[C@H](C[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527804885 262884490 /nfs/dbraw/zinc/88/44/90/262884490.db2.gz CDNPSEQDUXGICR-GOEBONIOSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CC[C@H](C[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000527804885 262884491 /nfs/dbraw/zinc/88/44/91/262884491.db2.gz CDNPSEQDUXGICR-GOEBONIOSA-N 2 2 248.414 2.949 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCCCC1)[C@@H]1CC1(C)C ZINC000397854680 262938152 /nfs/dbraw/zinc/93/81/52/262938152.db2.gz SVNQKRNNZWRMMK-KBPBESRZSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000328525716 487704066 /nfs/dbraw/zinc/70/40/66/487704066.db2.gz UCGOQXLANISZCB-DZGCQCFKSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000328525716 487704072 /nfs/dbraw/zinc/70/40/72/487704072.db2.gz UCGOQXLANISZCB-DZGCQCFKSA-N 2 2 232.371 2.822 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668432501 487745243 /nfs/dbraw/zinc/74/52/43/487745243.db2.gz UOICGEJCDRDKPN-MQYQWHSLSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668432501 487745246 /nfs/dbraw/zinc/74/52/46/487745246.db2.gz UOICGEJCDRDKPN-MQYQWHSLSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000233892134 487750895 /nfs/dbraw/zinc/75/08/95/487750895.db2.gz PVPWLLNDQFVGRX-VXGBXAGGSA-N 2 2 238.400 2.931 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000675767951 487775559 /nfs/dbraw/zinc/77/55/59/487775559.db2.gz UZVNERTXVCNRMQ-BBRMVZONSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000675767951 487775566 /nfs/dbraw/zinc/77/55/66/487775566.db2.gz UZVNERTXVCNRMQ-BBRMVZONSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1occc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000666304714 487782219 /nfs/dbraw/zinc/78/22/19/487782219.db2.gz VGXHLQIFMZMIND-AWEZNQCLSA-N 2 2 245.326 2.622 20 0 BFADLP Cc1occc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000666304714 487782224 /nfs/dbraw/zinc/78/22/24/487782224.db2.gz VGXHLQIFMZMIND-AWEZNQCLSA-N 2 2 245.326 2.622 20 0 BFADLP CCCc1cccc(C[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000681366345 487785924 /nfs/dbraw/zinc/78/59/24/487785924.db2.gz PNOWXHCYMWCRGU-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1cccc(C[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000681366345 487785926 /nfs/dbraw/zinc/78/59/26/487785926.db2.gz PNOWXHCYMWCRGU-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CC(C)(C)[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667972698 487787813 /nfs/dbraw/zinc/78/78/13/487787813.db2.gz YCIWHCHOMRZDGL-LBPRGKRZSA-N 2 2 247.386 2.697 20 0 BFADLP CC(C)(C)[C@H]1CC[N@@H+](Cc2c[nH+]c3n2CCC3)C1 ZINC000667972698 487787816 /nfs/dbraw/zinc/78/78/16/487787816.db2.gz YCIWHCHOMRZDGL-LBPRGKRZSA-N 2 2 247.386 2.697 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000675930319 487793820 /nfs/dbraw/zinc/79/38/20/487793820.db2.gz ORQSHRIKYWXCEC-MBNYWOFBSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](CC1CCC1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000675930319 487793826 /nfs/dbraw/zinc/79/38/26/487793826.db2.gz ORQSHRIKYWXCEC-MBNYWOFBSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000681489041 487805031 /nfs/dbraw/zinc/80/50/31/487805031.db2.gz UYFVFUQYMJAWAT-GOEBONIOSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1 ZINC000681489041 487805036 /nfs/dbraw/zinc/80/50/36/487805036.db2.gz UYFVFUQYMJAWAT-GOEBONIOSA-N 2 2 246.398 2.549 20 0 BFADLP CC[C@]1(C)CCC[C@H]1[NH2+]CCCn1cc[nH+]c1 ZINC000651666790 487813604 /nfs/dbraw/zinc/81/36/04/487813604.db2.gz OGPWEGAKYDEAQB-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000252198352 487821442 /nfs/dbraw/zinc/82/14/42/487821442.db2.gz STGSRFIXXRZWPO-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000252198352 487821448 /nfs/dbraw/zinc/82/14/48/487821448.db2.gz STGSRFIXXRZWPO-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1cscc1Cl ZINC000666798837 487863905 /nfs/dbraw/zinc/86/39/05/487863905.db2.gz CZPHXITYMZBGMQ-JTQLQIEISA-N 2 2 246.807 2.865 20 0 BFADLP c1ccc(C2CC2)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000666768200 487875316 /nfs/dbraw/zinc/87/53/16/487875316.db2.gz BLIIYBJTJXUOSG-HNNXBMFYSA-N 2 2 244.382 2.796 20 0 BFADLP C[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C[C@H]1F ZINC000682029440 487883950 /nfs/dbraw/zinc/88/39/50/487883950.db2.gz OEAKKYGZHIIYCM-UONOGXRCSA-N 2 2 242.382 2.542 20 0 BFADLP C[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1F ZINC000682029440 487883954 /nfs/dbraw/zinc/88/39/54/487883954.db2.gz OEAKKYGZHIIYCM-UONOGXRCSA-N 2 2 242.382 2.542 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000676642963 487885676 /nfs/dbraw/zinc/88/56/76/487885676.db2.gz GPTLVMSLKGHLBJ-NSRYLSIASA-N 2 2 248.345 2.523 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]C/C=C\c2ccc(F)cc2)C1 ZINC000676642963 487885679 /nfs/dbraw/zinc/88/56/79/487885679.db2.gz GPTLVMSLKGHLBJ-NSRYLSIASA-N 2 2 248.345 2.523 20 0 BFADLP Cc1cc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)c(C)s1 ZINC000666885694 487897822 /nfs/dbraw/zinc/89/78/22/487897822.db2.gz VUFZKQNXDOTIHO-MFKMUULPSA-N 2 2 238.400 2.595 20 0 BFADLP C[N@H+](CC1C[NH+](C)C1)CC1CCC(C)(C)CC1 ZINC000668539982 487905669 /nfs/dbraw/zinc/90/56/69/487905669.db2.gz SLHGQQJQZORWKQ-UHFFFAOYSA-N 2 2 238.419 2.696 20 0 BFADLP C[N@@H+](CC1C[NH+](C)C1)CC1CCC(C)(C)CC1 ZINC000668539982 487905677 /nfs/dbraw/zinc/90/56/77/487905677.db2.gz SLHGQQJQZORWKQ-UHFFFAOYSA-N 2 2 238.419 2.696 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947855 487908466 /nfs/dbraw/zinc/90/84/66/487908466.db2.gz KMXFIFRXZOLYAA-XUXIUFHCSA-N 2 2 244.398 2.737 20 0 BFADLP CCCC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947637 487911597 /nfs/dbraw/zinc/91/15/97/487911597.db2.gz DUWZPNDFPZHCNY-XDQVBPFNSA-N 2 2 242.382 2.635 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000083435606 487912557 /nfs/dbraw/zinc/91/25/57/487912557.db2.gz PRHNULXIQWJHPH-MCIONIFRSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C[NH+]1CCCC1)Nc1cccc(C)[nH+]1 ZINC000681208480 487935428 /nfs/dbraw/zinc/93/54/28/487935428.db2.gz AAGJFJKONGDGSQ-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)o1 ZINC000235223226 487936554 /nfs/dbraw/zinc/93/65/54/487936554.db2.gz BQRULQIXLADHFC-YPMHNXCESA-N 2 2 236.359 2.689 20 0 BFADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccoc1 ZINC000094869211 322977723 /nfs/dbraw/zinc/97/77/23/322977723.db2.gz WILDYVNUQSAVBS-GFCCVEGCSA-N 2 2 233.315 2.607 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCCCCC1 ZINC000561542792 323003807 /nfs/dbraw/zinc/00/38/07/323003807.db2.gz MNDSGLVZRCRECP-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCCCCC1 ZINC000561542792 323003808 /nfs/dbraw/zinc/00/38/08/323003808.db2.gz MNDSGLVZRCRECP-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@H](C[NH2+]C(C1CC1)C1CC1)[NH+]1CCCC1 ZINC000151668675 323022526 /nfs/dbraw/zinc/02/25/26/323022526.db2.gz WZRKPZGDCXHCMC-CQSZACIVSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000408510360 323047086 /nfs/dbraw/zinc/04/70/86/323047086.db2.gz MPNPQBMMCJJNHE-XQLPTFJDSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)[C@H]1CCCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000570693932 323067332 /nfs/dbraw/zinc/06/73/32/323067332.db2.gz BNHWFAFYNPLLLM-OAHLLOKOSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)[C@H]1CCCC[N@H+]1CCCc1c[nH+]cn1C ZINC000570693932 323067333 /nfs/dbraw/zinc/06/73/33/323067333.db2.gz BNHWFAFYNPLLLM-OAHLLOKOSA-N 2 2 249.402 2.863 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(F)F)C[N@@H+]1C1CC1 ZINC000390089896 323083485 /nfs/dbraw/zinc/08/34/85/323083485.db2.gz IIPIVZVNACUYRE-GHMZBOCLSA-N 2 2 246.345 2.637 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(F)F)C[N@H+]1C1CC1 ZINC000390089896 323083486 /nfs/dbraw/zinc/08/34/86/323083486.db2.gz IIPIVZVNACUYRE-GHMZBOCLSA-N 2 2 246.345 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCCC(C)(F)F)C[N@@H+]1C1CC1 ZINC000390089898 323083517 /nfs/dbraw/zinc/08/35/17/323083517.db2.gz IIPIVZVNACUYRE-QWRGUYRKSA-N 2 2 246.345 2.637 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CCCC(C)(F)F)C[N@H+]1C1CC1 ZINC000390089898 323083518 /nfs/dbraw/zinc/08/35/18/323083518.db2.gz IIPIVZVNACUYRE-QWRGUYRKSA-N 2 2 246.345 2.637 20 0 BFADLP CC(C)c1ccc(C[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397868292 323099405 /nfs/dbraw/zinc/09/94/05/323099405.db2.gz RHPJOMHRZRHOBA-UHFFFAOYSA-N 2 2 246.398 2.994 20 0 BFADLP CC[C@@H]1CCC[C@@H]1[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000531691902 323111605 /nfs/dbraw/zinc/11/16/05/323111605.db2.gz YYUJSNDDATTZSP-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)C1CCC([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000531737471 323112215 /nfs/dbraw/zinc/11/22/15/323112215.db2.gz TVTQMGCPKSOLIB-VXGQWTEUSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C1CCC([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000531737471 323112216 /nfs/dbraw/zinc/11/22/16/323112216.db2.gz TVTQMGCPKSOLIB-VXGQWTEUSA-N 2 2 238.419 2.741 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000563350896 323119999 /nfs/dbraw/zinc/11/99/99/323119999.db2.gz SZVLEKSOLZWPFP-ZFWWWQNUSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000563350896 323120000 /nfs/dbraw/zinc/12/00/00/323120000.db2.gz SZVLEKSOLZWPFP-ZFWWWQNUSA-N 2 2 247.386 2.617 20 0 BFADLP c1ccc(NCCC[NH2+][C@@H]2CCCC23CC3)[nH+]c1 ZINC000567368408 323122180 /nfs/dbraw/zinc/12/21/80/323122180.db2.gz VNJXCMBVLFBDAR-CYBMUJFWSA-N 2 2 245.370 2.806 20 0 BFADLP CC1(C[N@@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000563665025 323134057 /nfs/dbraw/zinc/13/40/57/323134057.db2.gz GAKDXLCVEUTTEC-CQSZACIVSA-N 2 2 236.403 2.737 20 0 BFADLP CC1(C[N@H+]2CCCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000563665025 323134058 /nfs/dbraw/zinc/13/40/58/323134058.db2.gz GAKDXLCVEUTTEC-CQSZACIVSA-N 2 2 236.403 2.737 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC000534579937 323153925 /nfs/dbraw/zinc/15/39/25/323153925.db2.gz HQHYDYYXINPQPI-AWEZNQCLSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC2CCCC2)C1 ZINC000534579937 323153926 /nfs/dbraw/zinc/15/39/26/323153926.db2.gz HQHYDYYXINPQPI-AWEZNQCLSA-N 2 2 247.386 2.790 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1sccc1Cl ZINC000308903215 323181005 /nfs/dbraw/zinc/18/10/05/323181005.db2.gz UUIINXPMUYYBEB-RKDXNWHRSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1sccc1Cl ZINC000308903215 323181006 /nfs/dbraw/zinc/18/10/06/323181006.db2.gz UUIINXPMUYYBEB-RKDXNWHRSA-N 2 2 244.791 2.713 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C(/C)Cl)C[C@H]1C ZINC000528391532 323196752 /nfs/dbraw/zinc/19/67/52/323196752.db2.gz AANFZIHJWZNZCZ-CUBYMHMKSA-N 2 2 244.810 2.934 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C(/C)Cl)C[C@H]1C ZINC000528391532 323196753 /nfs/dbraw/zinc/19/67/53/323196753.db2.gz AANFZIHJWZNZCZ-CUBYMHMKSA-N 2 2 244.810 2.934 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C(/C)Cl)C[C@H]1C ZINC000528391532 323196754 /nfs/dbraw/zinc/19/67/54/323196754.db2.gz AANFZIHJWZNZCZ-CUBYMHMKSA-N 2 2 244.810 2.934 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C(/C)Cl)C[C@H]1C ZINC000528391532 323196755 /nfs/dbraw/zinc/19/67/55/323196755.db2.gz AANFZIHJWZNZCZ-CUBYMHMKSA-N 2 2 244.810 2.934 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)[NH+](C)C ZINC000116382397 323205007 /nfs/dbraw/zinc/20/50/07/323205007.db2.gz GYBZFPODZFBUMS-OAHLLOKOSA-N 2 2 248.414 2.938 20 0 BFADLP Cc1cccc([C@H](C)C[NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000532232081 323210684 /nfs/dbraw/zinc/21/06/84/323210684.db2.gz QPBRGARLOHUKFV-IJEWVQPXSA-N 2 2 246.398 2.638 20 0 BFADLP Cc1cccc([C@H](C)C[NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000532232081 323210686 /nfs/dbraw/zinc/21/06/86/323210686.db2.gz QPBRGARLOHUKFV-IJEWVQPXSA-N 2 2 246.398 2.638 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H](C)c1ccccc1 ZINC000532249648 323212015 /nfs/dbraw/zinc/21/20/15/323212015.db2.gz XMZDDIBLFRJMQK-CTASWTNQSA-N 2 2 246.398 2.718 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H](C)c1ccccc1 ZINC000532249648 323212019 /nfs/dbraw/zinc/21/20/19/323212019.db2.gz XMZDDIBLFRJMQK-CTASWTNQSA-N 2 2 246.398 2.718 20 0 BFADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)C1CCCC1 ZINC000395660967 323236065 /nfs/dbraw/zinc/23/60/65/323236065.db2.gz RMJXKOVPRADWBY-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000532532137 323273896 /nfs/dbraw/zinc/27/38/96/323273896.db2.gz BVMJRWPRYSVOPZ-CZUORRHYSA-N 2 2 244.382 2.605 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000532532137 323273900 /nfs/dbraw/zinc/27/39/00/323273900.db2.gz BVMJRWPRYSVOPZ-CZUORRHYSA-N 2 2 244.382 2.605 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCC1CCCC1 ZINC000532531101 323274262 /nfs/dbraw/zinc/27/42/62/323274262.db2.gz LUNUDTNSUZWHEV-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCC1CCCC1 ZINC000532531101 323274264 /nfs/dbraw/zinc/27/42/64/323274264.db2.gz LUNUDTNSUZWHEV-UKRRQHHQSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)C(C)(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000563947073 323329383 /nfs/dbraw/zinc/32/93/83/323329383.db2.gz ABKSXGJMRVUXHG-UHFFFAOYSA-N 2 2 231.343 2.859 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000396621704 323394247 /nfs/dbraw/zinc/39/42/47/323394247.db2.gz CQYRAZWZGMTHEH-APHBMKBZSA-N 2 2 244.382 2.794 20 0 BFADLP CC(C)[N@H+](CCc1c[nH+]cn1C)C1CCCC1 ZINC000459369545 324146561 /nfs/dbraw/zinc/14/65/61/324146561.db2.gz OHQLSXCZCJUOPZ-UHFFFAOYSA-N 2 2 235.375 2.616 20 0 BFADLP CC(C)[N@@H+](CCc1c[nH+]cn1C)C1CCCC1 ZINC000459369545 324146564 /nfs/dbraw/zinc/14/65/64/324146564.db2.gz OHQLSXCZCJUOPZ-UHFFFAOYSA-N 2 2 235.375 2.616 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000529643228 324369778 /nfs/dbraw/zinc/36/97/78/324369778.db2.gz XRPMQCWJZIMSRZ-IPYPFGDCSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000529643228 324369779 /nfs/dbraw/zinc/36/97/79/324369779.db2.gz XRPMQCWJZIMSRZ-IPYPFGDCSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000130206723 325023958 /nfs/dbraw/zinc/02/39/58/325023958.db2.gz QBYWJLZFTVQBGO-UONOGXRCSA-N 2 2 235.375 2.688 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000542791007 325048934 /nfs/dbraw/zinc/04/89/34/325048934.db2.gz MWAYAFZNQOBGEU-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000542791007 325048936 /nfs/dbraw/zinc/04/89/36/325048936.db2.gz MWAYAFZNQOBGEU-ZNMIVQPWSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000130808532 325090939 /nfs/dbraw/zinc/09/09/39/325090939.db2.gz LNHLLBHDRGYGOH-JKSUJKDBSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000130808532 325090941 /nfs/dbraw/zinc/09/09/41/325090941.db2.gz LNHLLBHDRGYGOH-JKSUJKDBSA-N 2 2 246.398 2.864 20 0 BFADLP CCCC[C@H](C)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000130984155 325106370 /nfs/dbraw/zinc/10/63/70/325106370.db2.gz STNWNXAANBJWMJ-RYUDHWBXSA-N 2 2 212.381 2.637 20 0 BFADLP CCCC[C@H](C)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000130984155 325106375 /nfs/dbraw/zinc/10/63/75/325106375.db2.gz STNWNXAANBJWMJ-RYUDHWBXSA-N 2 2 212.381 2.637 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000543762287 325112341 /nfs/dbraw/zinc/11/23/41/325112341.db2.gz HQUPBODMGCQLCB-APIJFGDWSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000543762287 325112344 /nfs/dbraw/zinc/11/23/44/325112344.db2.gz HQUPBODMGCQLCB-APIJFGDWSA-N 2 2 238.419 2.743 20 0 BFADLP Cn1cc[nH+]c1CNc1cccc2cc[nH+]cc21 ZINC000131108982 325117872 /nfs/dbraw/zinc/11/78/72/325117872.db2.gz AJYIGNDYRALYOC-UHFFFAOYSA-N 2 2 238.294 2.580 20 0 BFADLP CC(C)CC[C@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131759143 325182291 /nfs/dbraw/zinc/18/22/91/325182291.db2.gz OPWZUJZONBWOBX-CQSZACIVSA-N 2 2 235.375 2.784 20 0 BFADLP CC(C)CC[C@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131759143 325182293 /nfs/dbraw/zinc/18/22/93/325182293.db2.gz OPWZUJZONBWOBX-CQSZACIVSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCn1cc[nH+]c1 ZINC000131759435 325182466 /nfs/dbraw/zinc/18/24/66/325182466.db2.gz FYAXBTLQWQEPLV-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CCn1cc[nH+]c1 ZINC000131759435 325182469 /nfs/dbraw/zinc/18/24/69/325182469.db2.gz FYAXBTLQWQEPLV-KGLIPLIRSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000132140299 325200895 /nfs/dbraw/zinc/20/08/95/325200895.db2.gz QBHZKLZMACNJOT-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000132140299 325200899 /nfs/dbraw/zinc/20/08/99/325200899.db2.gz QBHZKLZMACNJOT-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCNc1cccc[nH+]1 ZINC000552043653 325590681 /nfs/dbraw/zinc/59/06/81/325590681.db2.gz WXJUODJVXGSBLD-UONOGXRCSA-N 2 2 247.386 2.908 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)[C@H]1C[C@H]1C ZINC000565242392 325885565 /nfs/dbraw/zinc/88/55/65/325885565.db2.gz FDCACXXCLXYHBY-BARDWOONSA-N 2 2 238.419 2.741 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCCC[C@H]2C)n1C ZINC000565371924 325903382 /nfs/dbraw/zinc/90/33/82/325903382.db2.gz LNFUQIHMIJFPHJ-YPMHNXCESA-N 2 2 235.375 2.644 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566414918 326042089 /nfs/dbraw/zinc/04/20/89/326042089.db2.gz UDQJTLFTNTXJTD-STQMWFEESA-N 2 2 235.375 2.644 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000566414918 326042090 /nfs/dbraw/zinc/04/20/90/326042090.db2.gz UDQJTLFTNTXJTD-STQMWFEESA-N 2 2 235.375 2.644 20 0 BFADLP C[C@H]1CCC(C)(C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000566428975 326045971 /nfs/dbraw/zinc/04/59/71/326045971.db2.gz MULLPEFWIVAUJE-LBPRGKRZSA-N 2 2 235.375 2.616 20 0 BFADLP C[C@H]1CCC(C)(C)[N@H+]1CCCc1c[nH+]cn1C ZINC000566428975 326045974 /nfs/dbraw/zinc/04/59/74/326045974.db2.gz MULLPEFWIVAUJE-LBPRGKRZSA-N 2 2 235.375 2.616 20 0 BFADLP C[NH2+]CC[N@H+](C)C[C@@H](CC(C)C)c1ccccc1 ZINC000566973741 326098492 /nfs/dbraw/zinc/09/84/92/326098492.db2.gz OMNAHZMMILBBAA-MRXNPFEDSA-N 2 2 248.414 2.968 20 0 BFADLP C[NH2+]CC[N@@H+](C)C[C@@H](CC(C)C)c1ccccc1 ZINC000566973741 326098493 /nfs/dbraw/zinc/09/84/93/326098493.db2.gz OMNAHZMMILBBAA-MRXNPFEDSA-N 2 2 248.414 2.968 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCC1(C)C ZINC000154656461 326155746 /nfs/dbraw/zinc/15/57/46/326155746.db2.gz HMLUDLWRVXRCFP-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCCC1(C)C ZINC000154656461 326155749 /nfs/dbraw/zinc/15/57/49/326155749.db2.gz HMLUDLWRVXRCFP-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000155695995 326207619 /nfs/dbraw/zinc/20/76/19/326207619.db2.gz WHQZZIZPTIQZFB-KGLIPLIRSA-N 2 2 235.375 2.832 20 0 BFADLP CC(C)C[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000567565626 326218174 /nfs/dbraw/zinc/21/81/74/326218174.db2.gz OOAZEVQSSHFGHS-SOUVJXGZSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000567565626 326218176 /nfs/dbraw/zinc/21/81/76/326218176.db2.gz OOAZEVQSSHFGHS-SOUVJXGZSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000567565626 326218178 /nfs/dbraw/zinc/21/81/78/326218178.db2.gz OOAZEVQSSHFGHS-SOUVJXGZSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000567565626 326218180 /nfs/dbraw/zinc/21/81/80/326218180.db2.gz OOAZEVQSSHFGHS-SOUVJXGZSA-N 2 2 238.419 2.837 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000568168825 326318749 /nfs/dbraw/zinc/31/87/49/326318749.db2.gz SVXAVNYOIAAACH-CQSZACIVSA-N 2 2 249.402 2.863 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000568168825 326318751 /nfs/dbraw/zinc/31/87/51/326318751.db2.gz SVXAVNYOIAAACH-CQSZACIVSA-N 2 2 249.402 2.863 20 0 BFADLP CCc1cccc(C[NH2+][C@H](C)Cn2cc[nH+]c2)c1 ZINC000569010306 326386697 /nfs/dbraw/zinc/38/66/97/326386697.db2.gz MJCUTDHGKSBCTE-CYBMUJFWSA-N 2 2 243.354 2.624 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](C)[C@H](C)c2ccccc2)n1C ZINC000667482535 488022386 /nfs/dbraw/zinc/02/23/86/488022386.db2.gz HKZOPSRKTYCSLP-GFCCVEGCSA-N 2 2 243.354 2.922 20 0 BFADLP Cc1[nH+]cc(C[N@H+](C)[C@H](C)c2ccccc2)n1C ZINC000667482535 488022388 /nfs/dbraw/zinc/02/23/88/488022388.db2.gz HKZOPSRKTYCSLP-GFCCVEGCSA-N 2 2 243.354 2.922 20 0 BFADLP CC[N@H+](Cc1c[nH+]c(C)n1C)[C@H](C)C(C)C ZINC000667561043 488046333 /nfs/dbraw/zinc/04/63/33/488046333.db2.gz JMEHLGZDUBHJAQ-LLVKDONJSA-N 2 2 223.364 2.595 20 0 BFADLP CC[N@@H+](Cc1c[nH+]c(C)n1C)[C@H](C)C(C)C ZINC000667561043 488046339 /nfs/dbraw/zinc/04/63/39/488046339.db2.gz JMEHLGZDUBHJAQ-LLVKDONJSA-N 2 2 223.364 2.595 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)n1C ZINC000667631576 488064207 /nfs/dbraw/zinc/06/42/07/488064207.db2.gz HAMBGDPFFDGHCI-UXIGCNINSA-N 2 2 247.386 2.882 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)n1C ZINC000667631576 488064210 /nfs/dbraw/zinc/06/42/10/488064210.db2.gz HAMBGDPFFDGHCI-UXIGCNINSA-N 2 2 247.386 2.882 20 0 BFADLP CCC[C@H]1CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667673739 488082958 /nfs/dbraw/zinc/08/29/58/488082958.db2.gz LFPBSBHJFFJBLL-ZDUSSCGKSA-N 2 2 235.375 2.741 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378956658 488112705 /nfs/dbraw/zinc/11/27/05/488112705.db2.gz MPNPQBMMCJJNHE-XGUBFFRZSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403590393 488128501 /nfs/dbraw/zinc/12/85/01/488128501.db2.gz DTJIBRIQTIYQLR-QRTUWBSPSA-N 2 2 236.403 2.624 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403590393 488128502 /nfs/dbraw/zinc/12/85/02/488128502.db2.gz DTJIBRIQTIYQLR-QRTUWBSPSA-N 2 2 236.403 2.624 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C3CCCC3)C2)n1C ZINC000668244341 487546166 /nfs/dbraw/zinc/54/61/66/487546166.db2.gz YDNDIUOEPLIDPL-CQSZACIVSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C3CCCC3)C2)n1C ZINC000668244341 487546172 /nfs/dbraw/zinc/54/61/72/487546172.db2.gz YDNDIUOEPLIDPL-CQSZACIVSA-N 2 2 247.386 2.741 20 0 BFADLP C[C@H](C[N@H+](C)CCCn1cc[nH+]c1)C(C)(C)C ZINC000685462504 487530702 /nfs/dbraw/zinc/53/07/02/487530702.db2.gz WSAYUFWFGVTDEM-CYBMUJFWSA-N 2 2 237.391 2.887 20 0 BFADLP C[C@H](C[N@@H+](C)CCCn1cc[nH+]c1)C(C)(C)C ZINC000685462504 487530705 /nfs/dbraw/zinc/53/07/05/487530705.db2.gz WSAYUFWFGVTDEM-CYBMUJFWSA-N 2 2 237.391 2.887 20 0 BFADLP Cc1[nH+]cc(C[N@H+](CCC2CC2)CC2CC2)n1C ZINC000668748608 487477276 /nfs/dbraw/zinc/47/72/76/487477276.db2.gz YACKQSSZTQXDDH-UHFFFAOYSA-N 2 2 247.386 2.741 20 0 BFADLP Cc1[nH+]cc(C[N@@H+](CCC2CC2)CC2CC2)n1C ZINC000668748608 487477282 /nfs/dbraw/zinc/47/72/82/487477282.db2.gz YACKQSSZTQXDDH-UHFFFAOYSA-N 2 2 247.386 2.741 20 0 BFADLP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094079552 487512386 /nfs/dbraw/zinc/51/23/86/487512386.db2.gz OCWHKRGUQFCHNF-WFASDCNBSA-N 2 2 232.371 2.823 20 0 BFADLP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094079551 487512556 /nfs/dbraw/zinc/51/25/56/487512556.db2.gz OCWHKRGUQFCHNF-DOMZBBRYSA-N 2 2 232.371 2.823 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000685423907 487520013 /nfs/dbraw/zinc/52/00/13/487520013.db2.gz BYMNHPOBYWFCGB-HIFRSBDPSA-N 2 2 238.419 2.743 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000685423907 487520014 /nfs/dbraw/zinc/52/00/14/487520014.db2.gz BYMNHPOBYWFCGB-HIFRSBDPSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cc(C[N@@H+](C)CCC[NH+](C)C)c(C)s1 ZINC000685452044 487525397 /nfs/dbraw/zinc/52/53/97/487525397.db2.gz HVMOHKIOTUWKGU-UHFFFAOYSA-N 2 2 240.416 2.748 20 0 BFADLP Cc1cc(C[N@H+](C)CCC[NH+](C)C)c(C)s1 ZINC000685452044 487525402 /nfs/dbraw/zinc/52/54/02/487525402.db2.gz HVMOHKIOTUWKGU-UHFFFAOYSA-N 2 2 240.416 2.748 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000116386649 487606662 /nfs/dbraw/zinc/60/66/62/487606662.db2.gz RDUULZLCIIZRAD-CVEARBPZSA-N 2 2 246.398 2.692 20 0 BFADLP CC(C)CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250545535 487734280 /nfs/dbraw/zinc/73/42/80/487734280.db2.gz DUOFJIJOMSGLSA-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250545535 487734286 /nfs/dbraw/zinc/73/42/86/487734286.db2.gz DUOFJIJOMSGLSA-KGLIPLIRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCC[C@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539961 487905429 /nfs/dbraw/zinc/90/54/29/487905429.db2.gz RRPHHFXYWKDPAB-KGLIPLIRSA-N 2 2 238.419 2.696 20 0 BFADLP CC[C@@H]1CCC[C@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539961 487905432 /nfs/dbraw/zinc/90/54/32/487905432.db2.gz RRPHHFXYWKDPAB-KGLIPLIRSA-N 2 2 238.419 2.696 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000657561291 488136940 /nfs/dbraw/zinc/13/69/40/488136940.db2.gz FQCBAVJYOGRXJI-KGLIPLIRSA-N 2 2 236.403 2.805 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000657561291 488136950 /nfs/dbraw/zinc/13/69/50/488136950.db2.gz FQCBAVJYOGRXJI-KGLIPLIRSA-N 2 2 236.403 2.805 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000258854517 488140660 /nfs/dbraw/zinc/14/06/60/488140660.db2.gz IEBDADLIRDDKHB-OAHLLOKOSA-N 2 2 246.398 2.844 20 0 BFADLP c1oc2ccccc2c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000259084833 488149125 /nfs/dbraw/zinc/14/91/25/488149125.db2.gz SYJIXIJYNLWJIC-CYBMUJFWSA-N 2 2 244.338 2.665 20 0 BFADLP CC[C@H](Cc1cccs1)[NH2+]C[C@H](C)[NH+](C)C ZINC000167329768 488156876 /nfs/dbraw/zinc/15/68/76/488156876.db2.gz JMMLMAILOICWAD-NWDGAFQWSA-N 2 2 240.416 2.609 20 0 BFADLP c1ccc(NCCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)[nH+]c1 ZINC000667934226 488161888 /nfs/dbraw/zinc/16/18/88/488161888.db2.gz CUPREFHLPPOQLH-RDBSUJKOSA-N 2 2 245.370 2.662 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)n1C ZINC000667965048 488169193 /nfs/dbraw/zinc/16/91/93/488169193.db2.gz ZPLHXIRCJDGSSJ-NILFDRSVSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)n1C ZINC000667965048 488169198 /nfs/dbraw/zinc/16/91/98/488169198.db2.gz ZPLHXIRCJDGSSJ-NILFDRSVSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC[C@@H](C)C(C)(C)C2)n1C ZINC000667987990 488176885 /nfs/dbraw/zinc/17/68/85/488176885.db2.gz XWXRNOXFOWJRSL-LLVKDONJSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)n1C ZINC000667987990 488176887 /nfs/dbraw/zinc/17/68/87/488176887.db2.gz XWXRNOXFOWJRSL-LLVKDONJSA-N 2 2 235.375 2.597 20 0 BFADLP C[C@H](C[NH2+]CC[NH+]1CCC(C)CC1)C(C)(C)C ZINC000310251396 488183891 /nfs/dbraw/zinc/18/38/91/488183891.db2.gz YCRYWNVYEKFLHH-CQSZACIVSA-N 2 2 240.435 2.990 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H](C(C)C)C2)n1C ZINC000668030614 488191332 /nfs/dbraw/zinc/19/13/32/488191332.db2.gz XENNTWULSKQTDV-CYBMUJFWSA-N 2 2 235.375 2.597 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H](C(C)C)C2)n1C ZINC000668030614 488191333 /nfs/dbraw/zinc/19/13/33/488191333.db2.gz XENNTWULSKQTDV-CYBMUJFWSA-N 2 2 235.375 2.597 20 0 BFADLP CC(C)C([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)C ZINC000678601048 488270428 /nfs/dbraw/zinc/27/04/28/488270428.db2.gz XRLVFKRWBCZVDK-OCCSQVGLSA-N 2 2 238.419 2.739 20 0 BFADLP CC(C)C([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)C ZINC000678601048 488270430 /nfs/dbraw/zinc/27/04/30/488270430.db2.gz XRLVFKRWBCZVDK-OCCSQVGLSA-N 2 2 238.419 2.739 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CC2)C1)c1ccccc1 ZINC000673627418 488298082 /nfs/dbraw/zinc/29/80/82/488298082.db2.gz MHIIDIOBXVCDFB-CZUORRHYSA-N 2 2 244.382 2.822 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CC2)C1)c1ccccc1 ZINC000673627418 488298084 /nfs/dbraw/zinc/29/80/84/488298084.db2.gz MHIIDIOBXVCDFB-CZUORRHYSA-N 2 2 244.382 2.822 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000679575312 488358749 /nfs/dbraw/zinc/35/87/49/488358749.db2.gz QNVSYIUCLAHICL-KKUMJFAQSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2C2CC2)C1 ZINC000679575312 488358751 /nfs/dbraw/zinc/35/87/51/488358751.db2.gz QNVSYIUCLAHICL-KKUMJFAQSA-N 2 2 236.403 2.639 20 0 BFADLP [NH3+][C@@H]1CCC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000146290655 490132874 /nfs/dbraw/zinc/13/28/74/490132874.db2.gz SMSJXLXYAQQDPL-CHWSQXEVSA-N 2 2 241.338 2.917 20 0 BFADLP CSc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054764506 490178382 /nfs/dbraw/zinc/17/83/82/490178382.db2.gz SHXHOGGFPWBRLH-SNVBAGLBSA-N 2 2 247.367 2.982 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000086842666 491064673 /nfs/dbraw/zinc/06/46/73/491064673.db2.gz OTIXBILJHQCHLK-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1ccc(CCC[NH2+]C2CC=CC2)c[nH+]1 ZINC000309693680 491058549 /nfs/dbraw/zinc/05/85/49/491058549.db2.gz KKXFKZOLMCEZMM-UHFFFAOYSA-N 2 2 216.328 2.631 20 0 BFADLP CC(C)C(C[NH2+][C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000229530292 491115062 /nfs/dbraw/zinc/11/50/62/491115062.db2.gz PZTZAZQJBAHZJR-CYBMUJFWSA-N 2 2 226.408 2.598 20 0 BFADLP CC(C)C(C[NH2+][C@@H]1CCC[N@@H+](C)C1)C(C)C ZINC000229530292 491115065 /nfs/dbraw/zinc/11/50/65/491115065.db2.gz PZTZAZQJBAHZJR-CYBMUJFWSA-N 2 2 226.408 2.598 20 0 BFADLP CCc1cc[nH+]cc1NC1CC[NH+](C(C)C)CC1 ZINC000651979463 491127645 /nfs/dbraw/zinc/12/76/45/491127645.db2.gz TUBAEOXEALHOHK-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000134275937 491162883 /nfs/dbraw/zinc/16/28/83/491162883.db2.gz KCFZXFLUNMVTSU-HNNXBMFYSA-N 2 2 246.398 2.648 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]CC(C)(C)c2ccccc2)C1 ZINC000134275937 491162884 /nfs/dbraw/zinc/16/28/84/491162884.db2.gz KCFZXFLUNMVTSU-HNNXBMFYSA-N 2 2 246.398 2.648 20 0 BFADLP C[C@H]([NH2+]Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000400390663 533927087 /nfs/dbraw/zinc/92/70/87/533927087.db2.gz ZTGZXRNKFIHDAK-GWCFXTLKSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)[C@H]1C ZINC000494990035 533951935 /nfs/dbraw/zinc/95/19/35/533951935.db2.gz APZPPYKFSYNOIW-DHMWGJHJSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)[C@H]1C ZINC000494990035 533951947 /nfs/dbraw/zinc/95/19/47/533951947.db2.gz APZPPYKFSYNOIW-DHMWGJHJSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]1CC[C@H]1[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000348064463 536099416 /nfs/dbraw/zinc/09/94/16/536099416.db2.gz AKCKSSZZKDMHEI-GXTWGEPZSA-N 2 2 243.354 2.655 20 0 BFADLP Cc1cccc(CC[C@@H](C)[NH2+]C[C@@H](C)[NH+](C)C)c1 ZINC000040500884 518190303 /nfs/dbraw/zinc/19/03/03/518190303.db2.gz YWRYUAHYVAIGJF-HUUCEWRRSA-N 2 2 248.414 2.856 20 0 BFADLP CC(C)C1CC([NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000486906548 527628334 /nfs/dbraw/zinc/62/83/34/527628334.db2.gz UAEZOFKQYPVCFU-GFJIZPEISA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)C1CC([NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)C1 ZINC000486906548 527628344 /nfs/dbraw/zinc/62/83/44/527628344.db2.gz UAEZOFKQYPVCFU-GFJIZPEISA-N 2 2 236.403 2.636 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000487560556 528119274 /nfs/dbraw/zinc/11/92/74/528119274.db2.gz OUWZURQMNMBRHG-KBPBESRZSA-N 2 2 236.403 2.663 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)[C@@H]2CC2(C)C)CC1 ZINC000487560556 528119283 /nfs/dbraw/zinc/11/92/83/528119283.db2.gz OUWZURQMNMBRHG-KBPBESRZSA-N 2 2 236.403 2.663 20 0 BFADLP CC1CCC(C[NH2+]C(C)(C)C[NH+](C)C)CC1 ZINC000308610761 528183853 /nfs/dbraw/zinc/18/38/53/528183853.db2.gz YHLDJSCCQWJQSV-UHFFFAOYSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502259924 528346478 /nfs/dbraw/zinc/34/64/78/528346478.db2.gz WYIBJEIHTAWXLO-RRFJBIMHSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000502259924 528346482 /nfs/dbraw/zinc/34/64/82/528346482.db2.gz WYIBJEIHTAWXLO-RRFJBIMHSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000480334555 529283674 /nfs/dbraw/zinc/28/36/74/529283674.db2.gz KDGDNBXVTXRBEF-XGUBFFRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000480334555 529283676 /nfs/dbraw/zinc/28/36/76/529283676.db2.gz KDGDNBXVTXRBEF-XGUBFFRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000342400879 535242010 /nfs/dbraw/zinc/24/20/10/535242010.db2.gz LBRRMOYTHGUTSO-DZKIICNBSA-N 2 2 248.414 2.805 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000342400879 535242012 /nfs/dbraw/zinc/24/20/12/535242012.db2.gz LBRRMOYTHGUTSO-DZKIICNBSA-N 2 2 248.414 2.805 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000336004320 535300192 /nfs/dbraw/zinc/30/01/92/535300192.db2.gz VGARJVPPBRPIFU-NWDGAFQWSA-N 2 2 247.386 2.825 20 0 BFADLP CC1(C)CCC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000336004320 535300195 /nfs/dbraw/zinc/30/01/95/535300195.db2.gz VGARJVPPBRPIFU-NWDGAFQWSA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(C)C)c1nccs1 ZINC000070733379 535804590 /nfs/dbraw/zinc/80/45/90/535804590.db2.gz GUWKSGVBKINNKH-WDEREUQCSA-N 2 2 241.404 2.557 20 0 BFADLP CCC[NH+]1CCC(Nc2ccc(C)[nH+]c2C)CC1 ZINC000094664468 566362350 /nfs/dbraw/zinc/36/23/50/566362350.db2.gz ALFWTDLWOWMDKF-UHFFFAOYSA-N 2 2 247.386 2.985 20 0 BFADLP CC(C)CCCC[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000893706371 583206458 /nfs/dbraw/zinc/20/64/58/583206458.db2.gz DRYTZNUSOSHNKJ-ZDUSSCGKSA-N 2 2 235.375 2.614 20 0 BFADLP CC(C)CCCC[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000893706370 583206548 /nfs/dbraw/zinc/20/65/48/583206548.db2.gz DRYTZNUSOSHNKJ-CYBMUJFWSA-N 2 2 235.375 2.614 20 0 BFADLP Cc1coc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000894026790 583280516 /nfs/dbraw/zinc/28/05/16/583280516.db2.gz IEEYTERATLPQES-UHFFFAOYSA-N 2 2 245.326 2.691 20 0 BFADLP Cc1coc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000894026790 583280519 /nfs/dbraw/zinc/28/05/19/583280519.db2.gz IEEYTERATLPQES-UHFFFAOYSA-N 2 2 245.326 2.691 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)co1 ZINC000894088314 583298686 /nfs/dbraw/zinc/29/86/86/583298686.db2.gz KTNLOASEMVFHDQ-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cc(C)co1 ZINC000894088314 583298688 /nfs/dbraw/zinc/29/86/88/583298688.db2.gz KTNLOASEMVFHDQ-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(C)co1 ZINC000894088314 583298689 /nfs/dbraw/zinc/29/86/89/583298689.db2.gz KTNLOASEMVFHDQ-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)co1 ZINC000894088314 583298690 /nfs/dbraw/zinc/29/86/90/583298690.db2.gz KTNLOASEMVFHDQ-KGLIPLIRSA-N 2 2 248.370 2.647 20 0 BFADLP Cc1ccsc1C[NH2+]Cc1c(C)cc[nH+]c1N ZINC000894209099 583362123 /nfs/dbraw/zinc/36/21/23/583362123.db2.gz NJIXFQCPJAXEOB-UHFFFAOYSA-N 2 2 247.367 2.632 20 0 BFADLP C[C@H](C[NH2+]Cc1c[nH+]c[nH]1)Sc1ccccc1 ZINC000894312571 583419630 /nfs/dbraw/zinc/41/96/30/583419630.db2.gz LCRKNGMOTRPZBC-LLVKDONJSA-N 2 2 247.367 2.680 20 0 BFADLP CCC[N@H+](CCC[NH+](C)C)Cc1cc(C)co1 ZINC000894777843 583519278 /nfs/dbraw/zinc/51/92/78/583519278.db2.gz SQYMSTPAFRJPIQ-UHFFFAOYSA-N 2 2 238.375 2.752 20 0 BFADLP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(C)co1 ZINC000894777843 583519279 /nfs/dbraw/zinc/51/92/79/583519279.db2.gz SQYMSTPAFRJPIQ-UHFFFAOYSA-N 2 2 238.375 2.752 20 0 BFADLP FC1(F)CCCC[C@H](C[NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000894832874 583528126 /nfs/dbraw/zinc/52/81/26/583528126.db2.gz XZBSCAFFCCWNMN-JTQLQIEISA-N 2 2 243.301 2.715 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894880886 583543559 /nfs/dbraw/zinc/54/35/59/583543559.db2.gz PKSPCCVNZRTBLM-LLVKDONJSA-N 2 2 207.321 2.634 20 0 BFADLP CCSc1ccc(C[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000895526001 583684570 /nfs/dbraw/zinc/68/45/70/583684570.db2.gz DICKWYLSFGDHHZ-UHFFFAOYSA-N 2 2 247.367 2.812 20 0 BFADLP FC[C@@H]1CCC[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000895544435 583689329 /nfs/dbraw/zinc/68/93/29/583689329.db2.gz MMMUBOXGKNUCLW-LBPRGKRZSA-N 2 2 247.317 2.516 20 0 BFADLP CCc1ccc(NCc2c(C)cc[nH+]c2N)[nH+]c1 ZINC000895690133 583707485 /nfs/dbraw/zinc/70/74/85/583707485.db2.gz AABMUVANGSMVFZ-UHFFFAOYSA-N 2 2 242.326 2.542 20 0 BFADLP CCC[C@@H](C)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000883250924 583765105 /nfs/dbraw/zinc/76/51/05/583765105.db2.gz VKPDIYOOLNVDMD-GFCCVEGCSA-N 2 2 235.375 2.745 20 0 BFADLP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000896552812 583810982 /nfs/dbraw/zinc/81/09/82/583810982.db2.gz JAUVCEHOFVMZSD-HOCLYGCPSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H]2C)c1 ZINC000896552812 583810983 /nfs/dbraw/zinc/81/09/83/583810983.db2.gz JAUVCEHOFVMZSD-HOCLYGCPSA-N 2 2 246.398 2.528 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000250556162 583943925 /nfs/dbraw/zinc/94/39/25/583943925.db2.gz BDTPEQGAVKNUND-KKUMJFAQSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H](C3CC3)C2)C1 ZINC000250556162 583943926 /nfs/dbraw/zinc/94/39/26/583943926.db2.gz BDTPEQGAVKNUND-KKUMJFAQSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)c1c[nH+]cc(NCC2CC[NH+](C)CC2)c1 ZINC000897706912 584041773 /nfs/dbraw/zinc/04/17/73/584041773.db2.gz VGYBTMWFPODDAO-UHFFFAOYSA-N 2 2 247.386 2.959 20 0 BFADLP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+])C(C)(C)C ZINC000902437432 584596410 /nfs/dbraw/zinc/59/64/10/584596410.db2.gz HXNUDFZPDKMNAE-ZLKJLUDKSA-N 2 2 232.371 2.635 20 0 BFADLP Cc1cccc2c1CC[C@H]2[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902445140 584598783 /nfs/dbraw/zinc/59/87/83/584598783.db2.gz KLBOMDBPDOSZQI-CABCVRRESA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902444417 584598924 /nfs/dbraw/zinc/59/89/24/584598924.db2.gz NKFGYOMOQPQQMR-KSZJFAHPSA-N 2 2 244.382 2.779 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+]CC1(C)C)c1ccsc1 ZINC000902445222 584599049 /nfs/dbraw/zinc/59/90/49/584599049.db2.gz PGDLFQGNFROHIL-NWDGAFQWSA-N 2 2 238.400 2.787 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C)cc1 ZINC000902473292 584601762 /nfs/dbraw/zinc/60/17/62/584601762.db2.gz XDEUDSMPZFKUJP-LVQVYYBASA-N 2 2 244.382 2.929 20 0 BFADLP c1ccc([C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C2CC2)cc1 ZINC000902475374 584602942 /nfs/dbraw/zinc/60/29/42/584602942.db2.gz JVBDIGJPHQPXHJ-QKPAOTATSA-N 2 2 242.366 2.620 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCCC[NH2+]1)c1ccncc1 ZINC000902479602 584604332 /nfs/dbraw/zinc/60/43/32/584604332.db2.gz ZNXGGHFPVNXEGD-HUUCEWRRSA-N 2 2 247.386 2.655 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1C ZINC000902468360 584615358 /nfs/dbraw/zinc/61/53/58/584615358.db2.gz SJZGXUKVLKDFKP-ARLBYUKCSA-N 2 2 244.382 2.847 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C)cc1 ZINC000902469338 584615503 /nfs/dbraw/zinc/61/55/03/584615503.db2.gz XDEUDSMPZFKUJP-ZJIFWQFVSA-N 2 2 244.382 2.929 20 0 BFADLP c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902482672 584623684 /nfs/dbraw/zinc/62/36/84/584623684.db2.gz MSSJDTVLSXBUCX-JSGCOSHPSA-N 2 2 248.370 2.779 20 0 BFADLP c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902482676 584623950 /nfs/dbraw/zinc/62/39/50/584623950.db2.gz MSSJDTVLSXBUCX-TZMCWYRMSA-N 2 2 248.370 2.779 20 0 BFADLP Cc1ccncc1[C@H](C)[NH2+]C[C@H]1CCCCC[NH2+]1 ZINC000902484542 584624578 /nfs/dbraw/zinc/62/45/78/584624578.db2.gz WFBXWCCIOSTEDY-UONOGXRCSA-N 2 2 247.386 2.573 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902827180 584676993 /nfs/dbraw/zinc/67/69/93/584676993.db2.gz XOWFCAIASYJNLE-APIJFGDWSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902827180 584676994 /nfs/dbraw/zinc/67/69/94/584676994.db2.gz XOWFCAIASYJNLE-APIJFGDWSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000902839237 584679788 /nfs/dbraw/zinc/67/97/88/584679788.db2.gz PEMAAZMRUODJOR-BHPKHCPMSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C[N@H+]1C1CC1 ZINC000902839237 584679789 /nfs/dbraw/zinc/67/97/89/584679789.db2.gz PEMAAZMRUODJOR-BHPKHCPMSA-N 2 2 248.414 2.780 20 0 BFADLP CC(C)C1CC([NH2+]Cc2cc(N(C)C)cc[nH+]2)C1 ZINC000903199162 584734835 /nfs/dbraw/zinc/73/48/35/584734835.db2.gz VPVOTXUMEOMTGY-UHFFFAOYSA-N 2 2 247.386 2.672 20 0 BFADLP CN(C)c1cc[nH+]c(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000903197146 584735069 /nfs/dbraw/zinc/73/50/69/584735069.db2.gz LKDRSGGJWDEJCF-AWEZNQCLSA-N 2 2 245.370 2.570 20 0 BFADLP C[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C(C)(C)C ZINC000903202013 584735304 /nfs/dbraw/zinc/73/53/04/584735304.db2.gz UHJYEFXTKZRTQE-NSHDSACASA-N 2 2 235.375 2.672 20 0 BFADLP CC(C)[C@@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C1CC1 ZINC000903201739 584735339 /nfs/dbraw/zinc/73/53/39/584735339.db2.gz MBZDDLBHZIHVPF-OAHLLOKOSA-N 2 2 247.386 2.672 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000903300485 584743492 /nfs/dbraw/zinc/74/34/92/584743492.db2.gz ISDFWVPOLGUWKC-KCPJHIHWSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1[C@H]([NH2+][C@@H](C2CC2)C2CCCC2)CC[N@H+]1C ZINC000903300485 584743493 /nfs/dbraw/zinc/74/34/93/584743493.db2.gz ISDFWVPOLGUWKC-KCPJHIHWSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H]1C ZINC000903301535 584744984 /nfs/dbraw/zinc/74/49/84/584744984.db2.gz RQQACFIOAYRICT-ZOBORPQBSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301535 584744985 /nfs/dbraw/zinc/74/49/85/584744985.db2.gz RQQACFIOAYRICT-ZOBORPQBSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H]1C ZINC000903301323 584745029 /nfs/dbraw/zinc/74/50/29/584745029.db2.gz OTGVCJYTAMSRSO-RCBQFDQVSA-N 2 2 244.382 2.665 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H]1C ZINC000903301323 584745030 /nfs/dbraw/zinc/74/50/30/584745030.db2.gz OTGVCJYTAMSRSO-RCBQFDQVSA-N 2 2 244.382 2.665 20 0 BFADLP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000903413456 584759811 /nfs/dbraw/zinc/75/98/11/584759811.db2.gz MPJNNMIVIJLCMQ-FPCVCCKLSA-N 2 2 248.414 2.948 20 0 BFADLP C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000903413456 584759813 /nfs/dbraw/zinc/75/98/13/584759813.db2.gz MPJNNMIVIJLCMQ-FPCVCCKLSA-N 2 2 248.414 2.948 20 0 BFADLP CC(C)C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440147 584763152 /nfs/dbraw/zinc/76/31/52/584763152.db2.gz USGWXTUNZNJPJL-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440147 584763153 /nfs/dbraw/zinc/76/31/53/584763153.db2.gz USGWXTUNZNJPJL-ZIAGYGMSSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H](C)[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903461039 584766406 /nfs/dbraw/zinc/76/64/06/584766406.db2.gz NQHKLLZRPZXPGS-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903461039 584766407 /nfs/dbraw/zinc/76/64/07/584766407.db2.gz NQHKLLZRPZXPGS-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903460803 584766931 /nfs/dbraw/zinc/76/69/31/584766931.db2.gz INUBDNLHMRJKIZ-KGLIPLIRSA-N 2 2 224.392 2.783 20 0 BFADLP CCCCC[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903460803 584766932 /nfs/dbraw/zinc/76/69/32/584766932.db2.gz INUBDNLHMRJKIZ-KGLIPLIRSA-N 2 2 224.392 2.783 20 0 BFADLP CCc1cccc(C[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000903471951 584775642 /nfs/dbraw/zinc/77/56/42/584775642.db2.gz NSRNTYUHPPRCKX-HNNXBMFYSA-N 2 2 244.382 2.623 20 0 BFADLP C([C@H]1CCC[NH2+]1)[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000903475760 584776762 /nfs/dbraw/zinc/77/67/62/584776762.db2.gz CHJCYULWHUVITF-HUUCEWRRSA-N 2 2 236.403 2.641 20 0 BFADLP C([C@H]1CCC[NH2+]1)[N@H+]1CCC[C@@H](C2CCC2)CC1 ZINC000903475760 584776763 /nfs/dbraw/zinc/77/67/63/584776763.db2.gz CHJCYULWHUVITF-HUUCEWRRSA-N 2 2 236.403 2.641 20 0 BFADLP C[NH2+]CC[N@H+](Cc1ccccc1CF)C(C)C ZINC000903786084 584800446 /nfs/dbraw/zinc/80/04/46/584800446.db2.gz DDKQXYYUDDYRAJ-UHFFFAOYSA-N 2 2 238.350 2.586 20 0 BFADLP C[NH2+]CC[N@@H+](Cc1ccccc1CF)C(C)C ZINC000903786084 584800448 /nfs/dbraw/zinc/80/04/48/584800448.db2.gz DDKQXYYUDDYRAJ-UHFFFAOYSA-N 2 2 238.350 2.586 20 0 BFADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903805620 584802956 /nfs/dbraw/zinc/80/29/56/584802956.db2.gz PMXRAKNCUFJQDU-UGUYLWEFSA-N 2 2 248.414 2.626 20 0 BFADLP [NH3+]C[C@@]12CC[C@@H]1CCC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903805620 584802958 /nfs/dbraw/zinc/80/29/58/584802958.db2.gz PMXRAKNCUFJQDU-UGUYLWEFSA-N 2 2 248.414 2.626 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000903870274 584814626 /nfs/dbraw/zinc/81/46/26/584814626.db2.gz LYNALOHPYBYMJB-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@]23CC[NH2+]C3)c1 ZINC000903870274 584814627 /nfs/dbraw/zinc/81/46/27/584814627.db2.gz LYNALOHPYBYMJB-MRXNPFEDSA-N 2 2 244.382 2.577 20 0 BFADLP CC(C)C1(C)CC[NH+](C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903914503 584819215 /nfs/dbraw/zinc/81/92/15/584819215.db2.gz IHHMJPKPIWJHMW-NSHDSACASA-N 2 2 248.361 2.727 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000903960438 584828292 /nfs/dbraw/zinc/82/82/92/584828292.db2.gz KIFKJILQEQUWDG-MLGOLLRUSA-N 2 2 240.350 2.537 20 0 BFADLP CCCC[C@@H](CC)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950867 584830554 /nfs/dbraw/zinc/83/05/54/584830554.db2.gz SKRVPEYMCZSUAR-GFCCVEGCSA-N 2 2 221.348 2.722 20 0 BFADLP Nc1cc[nH+]c(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)c1 ZINC000903950442 584830779 /nfs/dbraw/zinc/83/07/79/584830779.db2.gz NVTQNYBEGQIXHY-LSDHHAIUSA-N 2 2 245.370 2.722 20 0 BFADLP CCC(CC)(CC)C[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950317 584830923 /nfs/dbraw/zinc/83/09/23/584830923.db2.gz LXURAAOEBLNHMV-UHFFFAOYSA-N 2 2 235.375 2.970 20 0 BFADLP Cc1ccc(C[NH2+]Cc2cc(N)cc[nH+]2)cc1C ZINC000903950908 584830979 /nfs/dbraw/zinc/83/09/79/584830979.db2.gz SVXVOKBOJFQLFP-UHFFFAOYSA-N 2 2 241.338 2.570 20 0 BFADLP C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903951257 584831043 /nfs/dbraw/zinc/83/10/43/584831043.db2.gz VGTULUYCNAZCCX-RISCZKNCSA-N 2 2 247.386 2.968 20 0 BFADLP Cc1ccc(C[NH2+]Cc2cc(N)cc[nH+]2)c(C)c1 ZINC000903950664 584831086 /nfs/dbraw/zinc/83/10/86/584831086.db2.gz QCVWUVJCZRNLMA-UHFFFAOYSA-N 2 2 241.338 2.570 20 0 BFADLP C[C@H](CC1CCCC1)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903953687 584831364 /nfs/dbraw/zinc/83/13/64/584831364.db2.gz IYKYUMYOONNXML-LLVKDONJSA-N 2 2 233.359 2.722 20 0 BFADLP CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903954060 584831651 /nfs/dbraw/zinc/83/16/51/584831651.db2.gz PFJWAGSFJJWCMA-KGLIPLIRSA-N 2 2 233.359 2.578 20 0 BFADLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000904354929 584871022 /nfs/dbraw/zinc/87/10/22/584871022.db2.gz LVPVYIOQUSXQCR-VIFPVBQESA-N 2 2 246.276 2.590 20 0 BFADLP C[C@H]([NH2+]C[C@H]([NH3+])CCC(C)(C)C)c1ccccn1 ZINC000904368825 584872677 /nfs/dbraw/zinc/87/26/77/584872677.db2.gz VWZPWVQOFOUYIY-QWHCGFSZSA-N 2 2 249.402 2.886 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904380812 584876682 /nfs/dbraw/zinc/87/66/82/584876682.db2.gz HLJQSWFJYYKQEY-QMMMGPOBSA-N 2 2 246.276 2.542 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc(C(F)F)c(F)c1 ZINC000904380812 584876683 /nfs/dbraw/zinc/87/66/83/584876683.db2.gz HLJQSWFJYYKQEY-QMMMGPOBSA-N 2 2 246.276 2.542 20 0 BFADLP CC(C)CC1CC[NH+](CCc2c[nH+]cn2C)CC1 ZINC000838870886 585076829 /nfs/dbraw/zinc/07/68/29/585076829.db2.gz QCAFEJHGWJLTRK-UHFFFAOYSA-N 2 2 249.402 2.721 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000760956574 585402448 /nfs/dbraw/zinc/40/24/48/585402448.db2.gz ZWZPWQBIXAPFRT-AWEZNQCLSA-N 2 2 246.398 2.646 20 0 BFADLP CC(C)CCCC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000766121906 585497805 /nfs/dbraw/zinc/49/78/05/585497805.db2.gz RCWLPDSWUCKUJI-DZGCQCFKSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CCCC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000766121906 585497806 /nfs/dbraw/zinc/49/78/06/585497806.db2.gz RCWLPDSWUCKUJI-DZGCQCFKSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CCc2ccccc21 ZINC000766272936 585500164 /nfs/dbraw/zinc/50/01/64/585500164.db2.gz MBKGOWBSAGGVSP-CJNGLKHVSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CCc2ccccc21 ZINC000766272936 585500165 /nfs/dbraw/zinc/50/01/65/585500165.db2.gz MBKGOWBSAGGVSP-CJNGLKHVSA-N 2 2 244.382 2.748 20 0 BFADLP CC(C)[NH+]1CCC([N@H+](C)Cc2ccoc2)CC1 ZINC000768230562 585534351 /nfs/dbraw/zinc/53/43/51/585534351.db2.gz RQVFUOWUGAEIJU-UHFFFAOYSA-N 2 2 236.359 2.584 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccoc2)CC1 ZINC000768230562 585534352 /nfs/dbraw/zinc/53/43/52/585534352.db2.gz RQVFUOWUGAEIJU-UHFFFAOYSA-N 2 2 236.359 2.584 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000772963098 585628308 /nfs/dbraw/zinc/62/83/08/585628308.db2.gz JIIZUAKNFNBIID-JSGCOSHPSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1(C)CCCC1 ZINC000772963098 585628309 /nfs/dbraw/zinc/62/83/09/585628309.db2.gz JIIZUAKNFNBIID-JSGCOSHPSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000783226161 585831404 /nfs/dbraw/zinc/83/14/04/585831404.db2.gz YTOAJVYZWSYWEE-KBMXLJTQSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000783226158 585831477 /nfs/dbraw/zinc/83/14/77/585831477.db2.gz YTOAJVYZWSYWEE-BMFZPTHFSA-N 2 2 246.398 2.547 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000796703149 586110466 /nfs/dbraw/zinc/11/04/66/586110466.db2.gz SIICBRGCOYJQIN-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000800478944 586221940 /nfs/dbraw/zinc/22/19/40/586221940.db2.gz AVNXHAAKLWEVAW-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000800478944 586221942 /nfs/dbraw/zinc/22/19/42/586221942.db2.gz AVNXHAAKLWEVAW-LXTVHRRPSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)[NH+]1CCCCC1 ZINC000806132782 586404978 /nfs/dbraw/zinc/40/49/78/586404978.db2.gz ZZHUJCKCRFIDGM-YUELXQCFSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000817894803 586834155 /nfs/dbraw/zinc/83/41/55/586834155.db2.gz OUEKPLYVXCJTEH-TUAOUCFPSA-N 2 2 238.400 2.848 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000817945787 586846004 /nfs/dbraw/zinc/84/60/04/586846004.db2.gz LWYFSTUXWBYNPG-HOCLYGCPSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817968688 586855876 /nfs/dbraw/zinc/85/58/76/586855876.db2.gz VWSMHSVTRMQSSO-KCXAZCMYSA-N 2 2 244.382 2.570 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2C=CCC2)c[nH+]1 ZINC000826941635 587366351 /nfs/dbraw/zinc/36/63/51/587366351.db2.gz JOTBNURJDQOIBD-AWEZNQCLSA-N 2 2 216.328 2.631 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506140 587384655 /nfs/dbraw/zinc/38/46/55/587384655.db2.gz DGTNSFBFMSRSMA-UKRRQHHQSA-N 2 2 230.355 2.664 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506140 587384657 /nfs/dbraw/zinc/38/46/57/587384657.db2.gz DGTNSFBFMSRSMA-UKRRQHHQSA-N 2 2 230.355 2.664 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506142 587384815 /nfs/dbraw/zinc/38/48/15/587384815.db2.gz DGTNSFBFMSRSMA-ZFWWWQNUSA-N 2 2 230.355 2.664 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506142 587384816 /nfs/dbraw/zinc/38/48/16/587384816.db2.gz DGTNSFBFMSRSMA-ZFWWWQNUSA-N 2 2 230.355 2.664 20 0 BFADLP Cc1c[nH]c(CNc2cc3c(c[nH+]2)CCCC3)[nH+]1 ZINC000850305289 588535609 /nfs/dbraw/zinc/53/56/09/588535609.db2.gz FLUWAOSXVYLHTG-UHFFFAOYSA-N 2 2 242.326 2.604 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC2CC=CC2)C1 ZINC000851989717 588652323 /nfs/dbraw/zinc/65/23/23/588652323.db2.gz KLMNJYFNAUJUOI-AWEZNQCLSA-N 2 2 245.370 2.566 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC2CC=CC2)C1 ZINC000851989717 588652324 /nfs/dbraw/zinc/65/23/24/588652324.db2.gz KLMNJYFNAUJUOI-AWEZNQCLSA-N 2 2 245.370 2.566 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C1CCC(F)CC1 ZINC000852650383 588694116 /nfs/dbraw/zinc/69/41/16/588694116.db2.gz KIGJQSKLLRUSCG-HSBZDZAISA-N 2 2 242.382 2.589 20 0 BFADLP c1ccc(NCCCC[NH2+]C2CCCC2)[nH+]c1 ZINC000119045706 589236892 /nfs/dbraw/zinc/23/68/92/589236892.db2.gz CTWLZAVLCMCUKZ-UHFFFAOYSA-N 2 2 233.359 2.806 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000863545432 589297768 /nfs/dbraw/zinc/29/77/68/589297768.db2.gz RVCBIFJISJYRFD-NOLJZWGESA-N 2 2 244.382 2.712 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cs2)C[NH2+]1 ZINC000863650097 589306715 /nfs/dbraw/zinc/30/67/15/589306715.db2.gz NWIJNLBFUJYDNS-WPRPVWTQSA-N 2 2 244.791 2.632 20 0 BFADLP Cc1cc2cc(C[N@@H+](C)C[C@H](C)[NH3+])oc2cc1C ZINC000863653739 589308238 /nfs/dbraw/zinc/30/82/38/589308238.db2.gz OUBFKZHZPVKXNK-LBPRGKRZSA-N 2 2 246.354 2.829 20 0 BFADLP Cc1cc2cc(C[N@H+](C)C[C@H](C)[NH3+])oc2cc1C ZINC000863653739 589308239 /nfs/dbraw/zinc/30/82/39/589308239.db2.gz OUBFKZHZPVKXNK-LBPRGKRZSA-N 2 2 246.354 2.829 20 0 BFADLP Cc1cccc(C[C@@H](C)[NH2+][C@H]2CCC[N@H+](C)C2)c1 ZINC000866241267 589482336 /nfs/dbraw/zinc/48/23/36/589482336.db2.gz ZZAHRLBZPOWBLW-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@@H](C)[NH2+][C@H]2CCC[N@@H+](C)C2)c1 ZINC000866241267 589482337 /nfs/dbraw/zinc/48/23/37/589482337.db2.gz ZZAHRLBZPOWBLW-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000866241265 589482421 /nfs/dbraw/zinc/48/24/21/589482421.db2.gz ZZAHRLBZPOWBLW-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1cccc(C[C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000866241265 589482422 /nfs/dbraw/zinc/48/24/22/589482422.db2.gz ZZAHRLBZPOWBLW-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866720035 589514898 /nfs/dbraw/zinc/51/48/98/589514898.db2.gz BNASOTLXZDICBV-JKSUJKDBSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC000866720035 589514901 /nfs/dbraw/zinc/51/49/01/589514901.db2.gz BNASOTLXZDICBV-JKSUJKDBSA-N 2 2 244.382 2.630 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866723059 589515072 /nfs/dbraw/zinc/51/50/72/589515072.db2.gz FVQRECPPTMROGA-HOTGVXAUSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000866723059 589515073 /nfs/dbraw/zinc/51/50/73/589515073.db2.gz FVQRECPPTMROGA-HOTGVXAUSA-N 2 2 244.382 2.575 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1C ZINC000866723001 589515109 /nfs/dbraw/zinc/51/51/09/589515109.db2.gz DUYCJRPXJHABGF-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@@H]32)cc1C ZINC000866723001 589515110 /nfs/dbraw/zinc/51/51/10/589515110.db2.gz DUYCJRPXJHABGF-CVEARBPZSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866721702 589515164 /nfs/dbraw/zinc/51/51/64/589515164.db2.gz OZMLSNWCUTUZIK-HZPDHXFCSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866721702 589515165 /nfs/dbraw/zinc/51/51/65/589515165.db2.gz OZMLSNWCUTUZIK-HZPDHXFCSA-N 2 2 244.382 2.630 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725057 589516384 /nfs/dbraw/zinc/51/63/84/589516384.db2.gz PFODQAZOTLHWPF-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866725057 589516385 /nfs/dbraw/zinc/51/63/85/589516385.db2.gz PFODQAZOTLHWPF-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c(C)c1 ZINC000866726366 589516553 /nfs/dbraw/zinc/51/65/53/589516553.db2.gz ZKXULFLFWDDFAU-HZPDHXFCSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c(C)c1 ZINC000866726366 589516555 /nfs/dbraw/zinc/51/65/55/589516555.db2.gz ZKXULFLFWDDFAU-HZPDHXFCSA-N 2 2 244.382 2.630 20 0 BFADLP CC[C@H](CCC(F)(F)F)[NH2+][C@@H](C)C[NH+](C)C ZINC000872070525 589864393 /nfs/dbraw/zinc/86/43/93/589864393.db2.gz FPMWBOYMGPVZOT-VHSXEESVSA-N 2 2 240.313 2.647 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c1 ZINC000873229944 590002090 /nfs/dbraw/zinc/00/20/90/590002090.db2.gz JFYZYVLTDMNHLE-CVEARBPZSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccc(F)cc1C[NH2+][C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230534 590002272 /nfs/dbraw/zinc/00/22/72/590002272.db2.gz SQAFUEHLKBBVTM-GJZGRUSLSA-N 2 2 248.345 2.508 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1cccnc1 ZINC000873234012 590003471 /nfs/dbraw/zinc/00/34/71/590003471.db2.gz BFJIPTPCAMZEKM-GXTWGEPZSA-N 2 2 247.386 2.510 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC(C)(C)C[NH2+]1)c1ccccn1 ZINC000873238130 590005863 /nfs/dbraw/zinc/00/58/63/590005863.db2.gz XPQUSCRTPFEESI-STQMWFEESA-N 2 2 247.386 2.510 20 0 BFADLP CCCCC[C@H](C)[NH2+]CC[NH+](CC)CC ZINC000020089760 590072804 /nfs/dbraw/zinc/07/28/04/590072804.db2.gz BSZMRHINHZRIIW-ZDUSSCGKSA-N 2 2 214.397 2.887 20 0 BFADLP C=C/C=C/CC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000878172797 590515085 /nfs/dbraw/zinc/51/50/85/590515085.db2.gz MIHUKAPNRGWUGI-ONEGZZNKSA-N 2 2 231.343 2.721 20 0 BFADLP C=C/C=C\CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000878519520 590586369 /nfs/dbraw/zinc/58/63/69/590586369.db2.gz OTUUQXWBYOPWPS-ZRUQZJFASA-N 2 2 245.370 2.732 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000878519520 590586371 /nfs/dbraw/zinc/58/63/71/590586371.db2.gz OTUUQXWBYOPWPS-ZRUQZJFASA-N 2 2 245.370 2.732 20 0 BFADLP C[NH+](C)CC(C)(C)[NH2+]CCCSC(C)(C)C ZINC000878696601 590610891 /nfs/dbraw/zinc/61/08/91/590610891.db2.gz OHVOFCNOCSWNPR-UHFFFAOYSA-N 2 2 246.464 2.838 20 0 BFADLP CC1([NH+]2CCCC2)CC[NH+](C/C=C\Cl)CC1 ZINC000879200613 590713602 /nfs/dbraw/zinc/71/36/02/590713602.db2.gz XDYUQGJWSWODRS-DAXSKMNVSA-N 2 2 242.794 2.689 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC000880130357 590932774 /nfs/dbraw/zinc/93/27/74/590932774.db2.gz CXOWVJTVHLAGQC-QWHCGFSZSA-N 2 2 224.392 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCC(C)(C)C ZINC000880130357 590932787 /nfs/dbraw/zinc/93/27/87/590932787.db2.gz CXOWVJTVHLAGQC-QWHCGFSZSA-N 2 2 224.392 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC000880130357 590932791 /nfs/dbraw/zinc/93/27/91/590932791.db2.gz CXOWVJTVHLAGQC-QWHCGFSZSA-N 2 2 224.392 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCC(C)(C)C ZINC000880130357 590932794 /nfs/dbraw/zinc/93/27/94/590932794.db2.gz CXOWVJTVHLAGQC-QWHCGFSZSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136345 590937871 /nfs/dbraw/zinc/93/78/71/590937871.db2.gz KQRCPNINWXOOPW-KKUMJFAQSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[N@H+]1CC[C@H]2[C@@H]1CCC[NH+]2C ZINC000880136345 590937874 /nfs/dbraw/zinc/93/78/74/590937874.db2.gz KQRCPNINWXOOPW-KKUMJFAQSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136345 590937876 /nfs/dbraw/zinc/93/78/76/590937876.db2.gz KQRCPNINWXOOPW-KKUMJFAQSA-N 2 2 238.419 2.837 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880136345 590937878 /nfs/dbraw/zinc/93/78/78/590937878.db2.gz KQRCPNINWXOOPW-KKUMJFAQSA-N 2 2 238.419 2.837 20 0 BFADLP CC[N@@H+]1CC[C@@H]1CNc1cc[nH+]c2ccsc21 ZINC000882959677 591485367 /nfs/dbraw/zinc/48/53/67/591485367.db2.gz MZJREULUJVCNLC-SNVBAGLBSA-N 2 2 247.367 2.802 20 0 BFADLP CC[N@H+]1CC[C@@H]1CNc1cc[nH+]c2ccsc21 ZINC000882959677 591485369 /nfs/dbraw/zinc/48/53/69/591485369.db2.gz MZJREULUJVCNLC-SNVBAGLBSA-N 2 2 247.367 2.802 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883197094 591569227 /nfs/dbraw/zinc/56/92/27/591569227.db2.gz BVIZFVXXPIPPSM-NFAWXSAZSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883197094 591569231 /nfs/dbraw/zinc/56/92/31/591569231.db2.gz BVIZFVXXPIPPSM-NFAWXSAZSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883197093 591569412 /nfs/dbraw/zinc/56/94/12/591569412.db2.gz BVIZFVXXPIPPSM-IPYPFGDCSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCCC2(CC2)C1 ZINC000883197093 591569413 /nfs/dbraw/zinc/56/94/13/591569413.db2.gz BVIZFVXXPIPPSM-IPYPFGDCSA-N 2 2 248.414 2.782 20 0 BFADLP c1cn2c([nH+]1)C[C@H]([NH2+][C@@H]1CCCC3(CC3)C1)CC2 ZINC000883217980 591576263 /nfs/dbraw/zinc/57/62/63/591576263.db2.gz SAOGZTXVNZSEGA-CHWSQXEVSA-N 2 2 245.370 2.510 20 0 BFADLP Cc1cccn2c(C[NH2+]C[C@@H]3C=CCC3)c[nH+]c12 ZINC000883238996 591583724 /nfs/dbraw/zinc/58/37/24/591583724.db2.gz SUAFYLKFURXJRG-CYBMUJFWSA-N 2 2 241.338 2.699 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322803 591616000 /nfs/dbraw/zinc/61/60/00/591616000.db2.gz WASIQAFWWAUXSF-AMSCCUFHSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000883322803 591616004 /nfs/dbraw/zinc/61/60/04/591616004.db2.gz WASIQAFWWAUXSF-AMSCCUFHSA-N 2 2 248.414 2.637 20 0 BFADLP CC[N@@H+]1CC[C@H](Nc2c[nH+]c(C)c(C)c2)[C@H](C)C1 ZINC000883340865 591620643 /nfs/dbraw/zinc/62/06/43/591620643.db2.gz BAAYDGIDXGHJMB-DOMZBBRYSA-N 2 2 247.386 2.841 20 0 BFADLP CC[N@H+]1CC[C@H](Nc2c[nH+]c(C)c(C)c2)[C@H](C)C1 ZINC000883340865 591620648 /nfs/dbraw/zinc/62/06/48/591620648.db2.gz BAAYDGIDXGHJMB-DOMZBBRYSA-N 2 2 247.386 2.841 20 0 BFADLP CC[N@@H+]1CC[C@@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000883360015 591628591 /nfs/dbraw/zinc/62/85/91/591628591.db2.gz SCOFIXNZRXONBX-ABCZVMIZSA-N 2 2 248.345 2.523 20 0 BFADLP CC[N@H+]1CC[C@@H]1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000883360015 591628594 /nfs/dbraw/zinc/62/85/94/591628594.db2.gz SCOFIXNZRXONBX-ABCZVMIZSA-N 2 2 248.345 2.523 20 0 BFADLP C=C/C=C\CC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000883434479 591663725 /nfs/dbraw/zinc/66/37/25/591663725.db2.gz SJKWVXACZFYKGU-MJSXRHKHSA-N 2 2 242.366 2.677 20 0 BFADLP C=C/C=C\CC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000883434479 591663727 /nfs/dbraw/zinc/66/37/27/591663727.db2.gz SJKWVXACZFYKGU-MJSXRHKHSA-N 2 2 242.366 2.677 20 0 BFADLP CC(C)CCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000132326350 591702161 /nfs/dbraw/zinc/70/21/61/591702161.db2.gz NSDSJPRRBOTUHH-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CCCC[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000132326350 591702162 /nfs/dbraw/zinc/70/21/62/591702162.db2.gz NSDSJPRRBOTUHH-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)CC1CC1)[NH+]1CCCCC1 ZINC000132486670 591713682 /nfs/dbraw/zinc/71/36/82/591713682.db2.gz ICDIMQUXGHJWQZ-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315421 592206733 /nfs/dbraw/zinc/20/67/33/592206733.db2.gz LNFODWJIKPRZMW-QXSJWSMHSA-N 2 2 248.414 2.591 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315421 592206735 /nfs/dbraw/zinc/20/67/35/592206735.db2.gz LNFODWJIKPRZMW-QXSJWSMHSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315421 592206738 /nfs/dbraw/zinc/20/67/38/592206738.db2.gz LNFODWJIKPRZMW-QXSJWSMHSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315421 592206740 /nfs/dbraw/zinc/20/67/40/592206740.db2.gz LNFODWJIKPRZMW-QXSJWSMHSA-N 2 2 248.414 2.591 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315420 592206822 /nfs/dbraw/zinc/20/68/22/592206822.db2.gz LNFODWJIKPRZMW-QKPAOTATSA-N 2 2 248.414 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@H]1CC[NH+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315420 592206823 /nfs/dbraw/zinc/20/68/23/592206823.db2.gz LNFODWJIKPRZMW-QKPAOTATSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315420 592206824 /nfs/dbraw/zinc/20/68/24/592206824.db2.gz LNFODWJIKPRZMW-QKPAOTATSA-N 2 2 248.414 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@H]1CC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000886315420 592206825 /nfs/dbraw/zinc/20/68/25/592206825.db2.gz LNFODWJIKPRZMW-QKPAOTATSA-N 2 2 248.414 2.591 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C1CCC=CCC1 ZINC000886813731 592334619 /nfs/dbraw/zinc/33/46/19/592334619.db2.gz UFGGTKLYEMVYSI-SWLSCSKDSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C1CCC=CCC1 ZINC000886813731 592334622 /nfs/dbraw/zinc/33/46/22/592334622.db2.gz UFGGTKLYEMVYSI-SWLSCSKDSA-N 2 2 234.387 2.558 20 0 BFADLP Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000257693971 634469056 /nfs/dbraw/zinc/46/90/56/634469056.db2.gz OHFYEOUECJPOQE-INIZCTEOSA-N 2 2 244.382 2.713 20 0 BFADLP Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCC[NH2+]3)c1 ZINC000257693971 634469058 /nfs/dbraw/zinc/46/90/58/634469058.db2.gz OHFYEOUECJPOQE-INIZCTEOSA-N 2 2 244.382 2.713 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257696457 634469268 /nfs/dbraw/zinc/46/92/68/634469268.db2.gz KGMBAQHOJOCBDI-GOEBONIOSA-N 2 2 244.382 2.966 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000257696457 634469273 /nfs/dbraw/zinc/46/92/73/634469273.db2.gz KGMBAQHOJOCBDI-GOEBONIOSA-N 2 2 244.382 2.966 20 0 BFADLP CC(C)([NH3+])C[NH+]1CCC2(CCCCC2)CC1 ZINC000061822386 631281411 /nfs/dbraw/zinc/28/14/11/631281411.db2.gz XFFAGXRAHWKAKI-UHFFFAOYSA-N 2 2 224.392 2.770 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1)[NH+](C)C ZINC000251085706 635703485 /nfs/dbraw/zinc/70/34/85/635703485.db2.gz JCMJTGFLOVZTOV-APIJFGDWSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000235516012 632772263 /nfs/dbraw/zinc/77/22/63/632772263.db2.gz LPQIFNYKYKICOS-UONOGXRCSA-N 2 2 232.371 2.706 20 0 BFADLP C1=CCC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926744101 632941599 /nfs/dbraw/zinc/94/15/99/632941599.db2.gz LGHBRCSNIZQHFM-CABCVRRESA-N 2 2 234.387 2.559 20 0 BFADLP C1=CCC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926744101 632941610 /nfs/dbraw/zinc/94/16/10/632941610.db2.gz LGHBRCSNIZQHFM-CABCVRRESA-N 2 2 234.387 2.559 20 0 BFADLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccoc1 ZINC000161546641 633008797 /nfs/dbraw/zinc/00/87/97/633008797.db2.gz YDXMYBAHKYIMOI-UHFFFAOYSA-N 2 2 236.359 2.587 20 0 BFADLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccoc1 ZINC000161546641 633008802 /nfs/dbraw/zinc/00/88/02/633008802.db2.gz YDXMYBAHKYIMOI-UHFFFAOYSA-N 2 2 236.359 2.587 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CCCC[C@H]1C)C1CC1 ZINC000249708071 633011199 /nfs/dbraw/zinc/01/11/99/633011199.db2.gz KMGJPLSQCISNQH-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CCCC[C@H]1C)C1CC1 ZINC000249708071 633011205 /nfs/dbraw/zinc/01/12/05/633011205.db2.gz KMGJPLSQCISNQH-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C1=CC[C@@H](C[NH2+]CC[NH+]2CCCCCC2)CC1 ZINC000040433275 633773575 /nfs/dbraw/zinc/77/35/75/633773575.db2.gz CYSCFPDXQOPJLG-OAHLLOKOSA-N 2 2 236.403 2.808 20 0 BFADLP CC(C)C[C@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+](C)C ZINC000020201794 633810087 /nfs/dbraw/zinc/81/00/87/633810087.db2.gz QSBWKEPCVHSBTF-HUUCEWRRSA-N 2 2 238.419 2.909 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CCCCCC1 ZINC000053341475 634167345 /nfs/dbraw/zinc/16/73/45/634167345.db2.gz YYECZUZYNCRHIR-CYBMUJFWSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CCCCCC1 ZINC000053341475 634167350 /nfs/dbraw/zinc/16/73/50/634167350.db2.gz YYECZUZYNCRHIR-CYBMUJFWSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@H]([NH3+])[C@@H]([NH2+]CCC(C)(F)F)c1ccccc1 ZINC000925679537 634276323 /nfs/dbraw/zinc/27/63/23/634276323.db2.gz JJHSTJWOSRIGSW-CMPLNLGQSA-N 2 2 242.313 2.710 20 0 BFADLP CC(C)Cc1ccc(C[N@H+](C)C[C@H](C)[NH3+])cc1 ZINC000258825490 635208350 /nfs/dbraw/zinc/20/83/50/635208350.db2.gz UQYBHPAHZGNVKI-ZDUSSCGKSA-N 2 2 234.387 2.664 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+](C)C[C@H](C)[NH3+])cc1 ZINC000258825490 635208357 /nfs/dbraw/zinc/20/83/57/635208357.db2.gz UQYBHPAHZGNVKI-ZDUSSCGKSA-N 2 2 234.387 2.664 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+](Cc2cccc3ccccc32)C1 ZINC000052062015 636670780 /nfs/dbraw/zinc/67/07/80/636670780.db2.gz RFZVRWDCSPROAW-OAHLLOKOSA-N 2 2 240.350 2.634 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+](Cc2cccc3ccccc32)C1 ZINC000052062015 636670783 /nfs/dbraw/zinc/67/07/83/636670783.db2.gz RFZVRWDCSPROAW-OAHLLOKOSA-N 2 2 240.350 2.634 20 0 BFADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2Cl)C1 ZINC000906508301 638179619 /nfs/dbraw/zinc/17/96/19/638179619.db2.gz LVERDRXVGSWONW-ZKCHVHJHSA-N 2 2 245.153 2.573 20 0 BFADLP CCC(CC)C[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718242 640335627 /nfs/dbraw/zinc/33/56/27/640335627.db2.gz MULIUDOHGXHTTA-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931718242 640335631 /nfs/dbraw/zinc/33/56/31/640335631.db2.gz MULIUDOHGXHTTA-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931718242 640335635 /nfs/dbraw/zinc/33/56/35/640335635.db2.gz MULIUDOHGXHTTA-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC(CC)C[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931718242 640335640 /nfs/dbraw/zinc/33/56/40/640335640.db2.gz MULIUDOHGXHTTA-KGLIPLIRSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931727585 640342970 /nfs/dbraw/zinc/34/29/70/640342970.db2.gz UTTSSNHXQRZJOE-IMJJTQAJSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C)CC2 ZINC000931727585 640342980 /nfs/dbraw/zinc/34/29/80/640342980.db2.gz UTTSSNHXQRZJOE-IMJJTQAJSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931727585 640342988 /nfs/dbraw/zinc/34/29/88/640342988.db2.gz UTTSSNHXQRZJOE-IMJJTQAJSA-N 2 2 244.382 2.916 20 0 BFADLP C[C@@H](c1ccccc1)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C)CC2 ZINC000931727585 640342993 /nfs/dbraw/zinc/34/29/93/640342993.db2.gz UTTSSNHXQRZJOE-IMJJTQAJSA-N 2 2 244.382 2.916 20 0 BFADLP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccoc1)C1CC1 ZINC000934001885 640804030 /nfs/dbraw/zinc/80/40/30/640804030.db2.gz KCRLIJPBMVLBFK-CQSZACIVSA-N 2 2 248.370 2.728 20 0 BFADLP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccoc1)C1CC1 ZINC000934001885 640804035 /nfs/dbraw/zinc/80/40/35/640804035.db2.gz KCRLIJPBMVLBFK-CQSZACIVSA-N 2 2 248.370 2.728 20 0 BFADLP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccoc1)C1CC1 ZINC000934001885 640804037 /nfs/dbraw/zinc/80/40/37/640804037.db2.gz KCRLIJPBMVLBFK-CQSZACIVSA-N 2 2 248.370 2.728 20 0 BFADLP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccoc1)C1CC1 ZINC000934001885 640804040 /nfs/dbraw/zinc/80/40/40/640804040.db2.gz KCRLIJPBMVLBFK-CQSZACIVSA-N 2 2 248.370 2.728 20 0 BFADLP [NH3+]CCC[N@H+](C/C=C/Cl)Cc1ccccc1 ZINC000230030335 641009707 /nfs/dbraw/zinc/00/97/07/641009707.db2.gz DFKAMYXTWUTSSL-XBXARRHUSA-N 2 2 238.762 2.590 20 0 BFADLP [NH3+]CCC[N@@H+](C/C=C/Cl)Cc1ccccc1 ZINC000230030335 641009711 /nfs/dbraw/zinc/00/97/11/641009711.db2.gz DFKAMYXTWUTSSL-XBXARRHUSA-N 2 2 238.762 2.590 20 0 BFADLP C[C@H](C[NH+]1CCCCC1)[NH2+]C1CCCCC1 ZINC000035259028 643105322 /nfs/dbraw/zinc/10/53/22/643105322.db2.gz VOMXFPXJNMDKJY-CYBMUJFWSA-N 2 2 224.392 2.783 20 0 BFADLP CC[N@H+](CC[C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000089749369 644565216 /nfs/dbraw/zinc/56/52/16/644565216.db2.gz PXZPKYHYIOQYGZ-CQSZACIVSA-N 2 2 232.371 2.821 20 0 BFADLP CC[N@@H+](CC[C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC000089749369 644565220 /nfs/dbraw/zinc/56/52/20/644565220.db2.gz PXZPKYHYIOQYGZ-CQSZACIVSA-N 2 2 232.371 2.821 20 0 BFADLP Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)[nH+]1 ZINC000094664266 644722488 /nfs/dbraw/zinc/72/24/88/644722488.db2.gz DILVJDFHIWMKKP-AGUYFDCRSA-N 2 2 245.370 2.736 20 0 BFADLP Cc1ccc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)[nH+]1 ZINC000094664266 644722518 /nfs/dbraw/zinc/72/25/18/644722518.db2.gz DILVJDFHIWMKKP-AGUYFDCRSA-N 2 2 245.370 2.736 20 0 BFADLP C1CC1([NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCC1 ZINC000926648209 645334565 /nfs/dbraw/zinc/33/45/65/645334565.db2.gz JCGSOIWDLLHUDD-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC1([NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCC1 ZINC000926648209 645334569 /nfs/dbraw/zinc/33/45/69/645334569.db2.gz JCGSOIWDLLHUDD-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C1=C(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000926717984 645380119 /nfs/dbraw/zinc/38/01/19/645380119.db2.gz XZBYFSUWGXNLMC-CABCVRRESA-N 2 2 234.387 2.703 20 0 BFADLP C1=C(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000926717984 645380125 /nfs/dbraw/zinc/38/01/25/645380125.db2.gz XZBYFSUWGXNLMC-CABCVRRESA-N 2 2 234.387 2.703 20 0 BFADLP C=C/C=C/CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926844706 645454624 /nfs/dbraw/zinc/45/46/24/645454624.db2.gz MGXJJUWYCIKEJC-LRPXVYOUSA-N 2 2 234.387 2.725 20 0 BFADLP C=C/C=C/CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926844706 645454632 /nfs/dbraw/zinc/45/46/32/645454632.db2.gz MGXJJUWYCIKEJC-LRPXVYOUSA-N 2 2 234.387 2.725 20 0 BFADLP C1=CCC(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C1 ZINC000926949569 645495257 /nfs/dbraw/zinc/49/52/57/645495257.db2.gz KHJZJHOGHPMKOY-HOTGVXAUSA-N 2 2 248.414 2.949 20 0 BFADLP C1=CCC(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C1 ZINC000926949569 645495262 /nfs/dbraw/zinc/49/52/62/645495262.db2.gz KHJZJHOGHPMKOY-HOTGVXAUSA-N 2 2 248.414 2.949 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000924747574 646100132 /nfs/dbraw/zinc/10/01/32/646100132.db2.gz KTLWCNIDIHSPRX-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000924747574 646100135 /nfs/dbraw/zinc/10/01/35/646100135.db2.gz KTLWCNIDIHSPRX-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C2CC3(C2)CCCC3)C1 ZINC000925196309 646203725 /nfs/dbraw/zinc/20/37/25/646203725.db2.gz DQTXHOOUHBKAPH-CYBMUJFWSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C2CC3(C2)CCCC3)C1 ZINC000925196309 646203729 /nfs/dbraw/zinc/20/37/29/646203729.db2.gz DQTXHOOUHBKAPH-CYBMUJFWSA-N 2 2 236.403 2.641 20 0 BFADLP C(C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12)CC1CC1 ZINC000925437440 646282444 /nfs/dbraw/zinc/28/24/44/646282444.db2.gz NLFCTYCACJIMJM-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C(C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12)CC1CC1 ZINC000925437440 646282448 /nfs/dbraw/zinc/28/24/48/646282448.db2.gz NLFCTYCACJIMJM-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCC1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000925514899 646310364 /nfs/dbraw/zinc/31/03/64/646310364.db2.gz GXVRIIWAXMYWDO-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCC1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000925514899 646310373 /nfs/dbraw/zinc/31/03/73/646310373.db2.gz GXVRIIWAXMYWDO-CABCVRRESA-N 2 2 236.403 2.783 20 0 BFADLP CC1CC(C[NH+]2CCC(n3cc[nH+]c3)CC2)C1 ZINC000929803199 646326737 /nfs/dbraw/zinc/32/67/37/646326737.db2.gz DTJWCDHCGSYFMN-UHFFFAOYSA-N 2 2 233.359 2.566 20 0 BFADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000925702693 646427553 /nfs/dbraw/zinc/42/75/53/646427553.db2.gz AMZWMCMIYXBGSY-AWEZNQCLSA-N 2 2 244.338 2.663 20 0 BFADLP C[C@@H]1C[NH2+]C[C@H]1[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000925786301 646482724 /nfs/dbraw/zinc/48/27/24/646482724.db2.gz ZGSIEVSCWTVUJY-DAXOMENPSA-N 2 2 244.382 2.725 20 0 BFADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925929414 646543673 /nfs/dbraw/zinc/54/36/73/646543673.db2.gz MXQZMWSVYATMMI-GXTWGEPZSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925929414 646543681 /nfs/dbraw/zinc/54/36/81/646543681.db2.gz MXQZMWSVYATMMI-GXTWGEPZSA-N 2 2 236.403 2.639 20 0 BFADLP c1cn2c([nH+]1)C[C@@H]([NH2+]C1CC3(C1)CCCC3)CC2 ZINC000926230106 646600762 /nfs/dbraw/zinc/60/07/62/646600762.db2.gz QYDNIXCXESYRLP-LBPRGKRZSA-N 2 2 245.370 2.510 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H](C2CC2)C(C)(C)C)CCC1 ZINC000926245379 646604945 /nfs/dbraw/zinc/60/49/45/646604945.db2.gz ZIWAEDATUICPGX-CYBMUJFWSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)=CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926265624 646608373 /nfs/dbraw/zinc/60/83/73/646608373.db2.gz MZHXNKAYQUFUSN-HUUCEWRRSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)=CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926265624 646608377 /nfs/dbraw/zinc/60/83/77/646608377.db2.gz MZHXNKAYQUFUSN-HUUCEWRRSA-N 2 2 236.403 2.949 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926347440 646622520 /nfs/dbraw/zinc/62/25/20/646622520.db2.gz MBDHIYYBUBVBIC-BARDWOONSA-N 2 2 236.403 2.782 20 0 BFADLP CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926347440 646622523 /nfs/dbraw/zinc/62/25/23/646622523.db2.gz MBDHIYYBUBVBIC-BARDWOONSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H]([NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C)C1CC1 ZINC000037156615 712549608 /nfs/dbraw/zinc/54/96/08/712549608.db2.gz SRNHEWYFTVWXKX-WCQYABFASA-N 2 2 235.375 2.686 20 0 BFADLP C[C@H](C[NH2+]C[C@H]1CC=CCC1)[NH+]1CCCCC1 ZINC000038028743 712800106 /nfs/dbraw/zinc/80/01/06/712800106.db2.gz JPEVJIJLGPJREU-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723573219 710729401 /nfs/dbraw/zinc/72/94/01/710729401.db2.gz GVZPYILPAVCFFP-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723573219 710729404 /nfs/dbraw/zinc/72/94/04/710729404.db2.gz GVZPYILPAVCFFP-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384494406 710994063 /nfs/dbraw/zinc/99/40/63/710994063.db2.gz ABMYPGWFAMWIOM-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC000384494406 710994066 /nfs/dbraw/zinc/99/40/66/710994066.db2.gz ABMYPGWFAMWIOM-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384494404 710994643 /nfs/dbraw/zinc/99/46/43/710994643.db2.gz ABMYPGWFAMWIOM-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC000384494404 710994648 /nfs/dbraw/zinc/99/46/48/710994648.db2.gz ABMYPGWFAMWIOM-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000381331894 710623994 /nfs/dbraw/zinc/62/39/94/710623994.db2.gz UFEJZOQIJUTWLB-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[NH+]1CCCCC1 ZINC000397809451 711393125 /nfs/dbraw/zinc/39/31/25/711393125.db2.gz HYEBELLRGNATDV-HZSPNIEDSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000049574914 711449355 /nfs/dbraw/zinc/44/93/55/711449355.db2.gz BIMQVMRERMWTIZ-ZDUSSCGKSA-N 2 2 212.381 2.641 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CCCC2(CC2)C1)C1CC1 ZINC000723575426 711519151 /nfs/dbraw/zinc/51/91/51/711519151.db2.gz YDWAVQOLVDIDMX-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CCCC2(CC2)C1)C1CC1 ZINC000723575426 711519152 /nfs/dbraw/zinc/51/91/52/711519152.db2.gz YDWAVQOLVDIDMX-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1[nH]c(C[NH2+]C2[C@H](C)CCC[C@H]2C)c(C)[nH+]1 ZINC000724679517 711607615 /nfs/dbraw/zinc/60/76/15/711607615.db2.gz VUUSABWSUFXCRL-NXEZZACHSA-N 2 2 235.375 2.941 20 0 BFADLP Cc1[nH]c(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)c(C)[nH+]1 ZINC000724679518 711607900 /nfs/dbraw/zinc/60/79/00/711607900.db2.gz VUUSABWSUFXCRL-UWVGGRQHSA-N 2 2 235.375 2.941 20 0 BFADLP CCC(C)(C)[C@H](C)[NH2+]Cc1[nH]c(C)[nH+]c1C ZINC000724781377 711613001 /nfs/dbraw/zinc/61/30/01/711613001.db2.gz CVSSEQRMCKSXSL-JTQLQIEISA-N 2 2 223.364 2.941 20 0 BFADLP Cc1[nH]c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(C)[nH+]1 ZINC000724780929 711613859 /nfs/dbraw/zinc/61/38/59/711613859.db2.gz SPBPYDHRHXOGFO-TZMCWYRMSA-N 2 2 233.359 2.791 20 0 BFADLP Cc1[nH]c(C[N@H+]2CCC[C@H]3CCC[C@H]32)c(C)[nH+]1 ZINC000724780929 711613860 /nfs/dbraw/zinc/61/38/60/711613860.db2.gz SPBPYDHRHXOGFO-TZMCWYRMSA-N 2 2 233.359 2.791 20 0 BFADLP CC(C)CCCC[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000703977193 712097437 /nfs/dbraw/zinc/09/74/37/712097437.db2.gz WVZBDGUABZIMLD-CYBMUJFWSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000705217131 712124113 /nfs/dbraw/zinc/12/41/13/712124113.db2.gz HQMSZVLAVHSTBZ-AGIUHOORSA-N 2 2 235.375 2.543 20 0 BFADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)[C@@]12C[C@@H]1CCCC2 ZINC000709130244 712210107 /nfs/dbraw/zinc/21/01/07/712210107.db2.gz NKYCLKBWVKKEGL-SOUVJXGZSA-N 2 2 247.386 2.832 20 0 BFADLP c1cn(CCC[NH2+][C@@H]2CCCC3(CC3)C2)c[nH+]1 ZINC000709967855 712236009 /nfs/dbraw/zinc/23/60/09/712236009.db2.gz SAYVBXXQPXNCRD-CYBMUJFWSA-N 2 2 233.359 2.586 20 0 BFADLP CCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000037213831 712553469 /nfs/dbraw/zinc/55/34/69/712553469.db2.gz WHJWFVMUVUASIW-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000037213831 712553470 /nfs/dbraw/zinc/55/34/70/712553470.db2.gz WHJWFVMUVUASIW-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP Cc1coc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000718025990 712736868 /nfs/dbraw/zinc/73/68/68/712736868.db2.gz KRWLPJGAANFFOG-UHFFFAOYSA-N 2 2 236.359 2.554 20 0 BFADLP CC(C)C[C@@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000038028474 712799575 /nfs/dbraw/zinc/79/95/75/712799575.db2.gz UNSBGYJTJOEWPW-KGLIPLIRSA-N 2 2 226.408 2.885 20 0 BFADLP [NH3+][C@@H]1CCC[N@H+](Cc2ccsc2Cl)CC1 ZINC001205116916 967367842 /nfs/dbraw/zinc/36/78/42/967367842.db2.gz JBBJAMQSTZXWJA-SNVBAGLBSA-N 2 2 244.791 2.715 20 0 BFADLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccsc2Cl)CC1 ZINC001205116916 967367855 /nfs/dbraw/zinc/36/78/55/967367855.db2.gz JBBJAMQSTZXWJA-SNVBAGLBSA-N 2 2 244.791 2.715 20 0 BFADLP C[N@H+](C1CC[NH+](C)CC1)C1CCC(C)(C)CC1 ZINC001255302291 970066704 /nfs/dbraw/zinc/06/67/04/970066704.db2.gz MOLZLRDBTPRQDF-UHFFFAOYSA-N 2 2 238.419 2.981 20 0 BFADLP C[N@@H+](C1CC[NH+](C)CC1)C1CCC(C)(C)CC1 ZINC001255302291 970066712 /nfs/dbraw/zinc/06/67/12/970066712.db2.gz MOLZLRDBTPRQDF-UHFFFAOYSA-N 2 2 238.419 2.981 20 0 BFADLP CCCC[C@@H](C)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001255326395 970102314 /nfs/dbraw/zinc/10/23/14/970102314.db2.gz QPIYTULQWYOFHI-LLVKDONJSA-N 2 2 221.348 2.586 20 0 BFADLP CCCC[C@@H](C)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001255326395 970102322 /nfs/dbraw/zinc/10/23/22/970102322.db2.gz QPIYTULQWYOFHI-LLVKDONJSA-N 2 2 221.348 2.586 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@](C)(F)C1 ZINC001255957171 970598765 /nfs/dbraw/zinc/59/87/65/970598765.db2.gz PALBWROJPHOVAX-KBPBESRZSA-N 2 2 244.398 2.931 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@](C)(F)C1 ZINC001255957171 970598773 /nfs/dbraw/zinc/59/87/73/970598773.db2.gz PALBWROJPHOVAX-KBPBESRZSA-N 2 2 244.398 2.931 20 0 BFADLP CCCc1ccc(C[N@@H+]2CCC[C@H]2C[NH3+])s1 ZINC001235724741 979133840 /nfs/dbraw/zinc/13/38/40/979133840.db2.gz IJJPVLUYZHZVFH-NSHDSACASA-N 2 2 238.400 2.624 20 0 BFADLP CCCc1ccc(C[N@H+]2CCC[C@H]2C[NH3+])s1 ZINC001235724741 979133847 /nfs/dbraw/zinc/13/38/47/979133847.db2.gz IJJPVLUYZHZVFH-NSHDSACASA-N 2 2 238.400 2.624 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)CCc1ccccc1Cl ZINC001235839195 979168343 /nfs/dbraw/zinc/16/83/43/979168343.db2.gz MJKXNSBGVLVZDP-LBPRGKRZSA-N 2 2 240.778 2.552 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)CCc1ccccc1Cl ZINC001235839195 979168351 /nfs/dbraw/zinc/16/83/51/979168351.db2.gz MJKXNSBGVLVZDP-LBPRGKRZSA-N 2 2 240.778 2.552 20 0 BFADLP CC(C)C[N@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649319 979687967 /nfs/dbraw/zinc/68/79/67/979687967.db2.gz WJFNTFAMLDCZFN-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)C[N@@H+]([C@H]1CC[NH2+]C1)C1CCCCC1 ZINC001236649319 979687972 /nfs/dbraw/zinc/68/79/72/979687972.db2.gz WJFNTFAMLDCZFN-AWEZNQCLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)C(C)(C)C ZINC001197700858 982588188 /nfs/dbraw/zinc/58/81/88/982588188.db2.gz ACRBALGKAWXKJF-MELADBBJSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H](C[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2)C(C)(C)C ZINC001197700858 982588199 /nfs/dbraw/zinc/58/81/99/982588199.db2.gz ACRBALGKAWXKJF-MELADBBJSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2)C(C)(C)C ZINC001197700858 982588210 /nfs/dbraw/zinc/58/82/10/982588210.db2.gz ACRBALGKAWXKJF-MELADBBJSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@@H](C[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2)C(C)(C)C ZINC001197700858 982588219 /nfs/dbraw/zinc/58/82/19/982588219.db2.gz ACRBALGKAWXKJF-MELADBBJSA-N 2 2 238.419 2.837 20 0 BFADLP CCC[C@H](C)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001201551104 983302949 /nfs/dbraw/zinc/30/29/49/983302949.db2.gz OWUQUYPGERRLMV-ZDUSSCGKSA-N 2 2 226.408 2.839 20 0 BFADLP CCC[C@H](C)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001201551104 983302957 /nfs/dbraw/zinc/30/29/57/983302957.db2.gz OWUQUYPGERRLMV-ZDUSSCGKSA-N 2 2 226.408 2.839 20 0 BFADLP CCC(CC)C[N@H+](CC)C1CC[NH+](C)CC1 ZINC001201531736 983326073 /nfs/dbraw/zinc/32/60/73/983326073.db2.gz RNCWCCZPKCCLIC-UHFFFAOYSA-N 2 2 226.408 2.839 20 0 BFADLP CCC(CC)C[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001201531736 983326086 /nfs/dbraw/zinc/32/60/86/983326086.db2.gz RNCWCCZPKCCLIC-UHFFFAOYSA-N 2 2 226.408 2.839 20 0 BFADLP CCCCCC[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000083119682 983599654 /nfs/dbraw/zinc/59/96/54/983599654.db2.gz INTIUUSVORBSFH-CQSZACIVSA-N 2 2 224.392 2.737 20 0 BFADLP CCCCCC[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000083119682 983599664 /nfs/dbraw/zinc/59/96/64/983599664.db2.gz INTIUUSVORBSFH-CQSZACIVSA-N 2 2 224.392 2.737 20 0 BFADLP CCCCCC[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000083119682 983599676 /nfs/dbraw/zinc/59/96/76/983599676.db2.gz INTIUUSVORBSFH-CQSZACIVSA-N 2 2 224.392 2.737 20 0 BFADLP CCCCCC[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000083119682 983599687 /nfs/dbraw/zinc/59/96/87/983599687.db2.gz INTIUUSVORBSFH-CQSZACIVSA-N 2 2 224.392 2.737 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+][C@@H]1CC[N@@H+](C(C)C)C1 ZINC001172388750 974734913 /nfs/dbraw/zinc/73/49/13/974734913.db2.gz HSMOOZCVWGFVJI-UONOGXRCSA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@@H](CC(C)C)[NH2+][C@@H]1CC[N@H+](C(C)C)C1 ZINC001172388750 974734918 /nfs/dbraw/zinc/73/49/18/974734918.db2.gz HSMOOZCVWGFVJI-UONOGXRCSA-N 2 2 226.408 2.883 20 0 BFADLP Cc1[nH+]c2c(n1[C@@H](C)CCC(C)C)CC[NH2+]CC2 ZINC001256363231 970767617 /nfs/dbraw/zinc/76/76/17/970767617.db2.gz ILCXOLJBOBJUIW-LBPRGKRZSA-N 2 2 249.402 2.877 20 0 BFADLP C[NH+](C)Cc1cc(-c2ccc[nH+]c2N)ccc1F ZINC001243476288 970777039 /nfs/dbraw/zinc/77/70/39/970777039.db2.gz AAVOPJAKQZBZKF-UHFFFAOYSA-N 2 2 245.301 2.532 20 0 BFADLP CNc1cc(Nc2cccc3[nH+]ccn32)cc[nH+]1 ZINC001216330808 971039767 /nfs/dbraw/zinc/03/97/67/971039767.db2.gz BZOHYJVCASPDTC-UHFFFAOYSA-N 2 2 239.282 2.515 20 0 BFADLP CNc1cc(Nc2[nH+]cc(C)cc2C)cc[nH+]1 ZINC001216333046 971045362 /nfs/dbraw/zinc/04/53/62/971045362.db2.gz CZLRWZXTCWEEKH-UHFFFAOYSA-N 2 2 228.299 2.879 20 0 BFADLP CC(C)[NH+]1CCC([N@@H+]2CCC[C@](C)(F)C2)CC1 ZINC001257215011 971128980 /nfs/dbraw/zinc/12/89/80/971128980.db2.gz QCEYDBXSQQNROA-AWEZNQCLSA-N 2 2 242.382 2.683 20 0 BFADLP CC(C)[NH+]1CCC([N@H+]2CCC[C@](C)(F)C2)CC1 ZINC001257215011 971128985 /nfs/dbraw/zinc/12/89/85/971128985.db2.gz QCEYDBXSQQNROA-AWEZNQCLSA-N 2 2 242.382 2.683 20 0 BFADLP CCC[C@H](CC)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257272612 971171721 /nfs/dbraw/zinc/17/17/21/971171721.db2.gz YDXUCJSCBIXZNM-MELADBBJSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](CC)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001257272612 971171729 /nfs/dbraw/zinc/17/17/29/971171729.db2.gz YDXUCJSCBIXZNM-MELADBBJSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](CC)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001257272612 971171737 /nfs/dbraw/zinc/17/17/37/971171737.db2.gz YDXUCJSCBIXZNM-MELADBBJSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@H](CC)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001257272612 971171742 /nfs/dbraw/zinc/17/17/42/971171742.db2.gz YDXUCJSCBIXZNM-MELADBBJSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257447930 971368899 /nfs/dbraw/zinc/36/88/99/971368899.db2.gz NFIXXHBQTLUYDB-LBPRGKRZSA-N 2 2 212.381 2.590 20 0 BFADLP CC[C@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257447930 971368906 /nfs/dbraw/zinc/36/89/06/971368906.db2.gz NFIXXHBQTLUYDB-LBPRGKRZSA-N 2 2 212.381 2.590 20 0 BFADLP c1cn(C2CC[NH+](C3CCCCC3)CC2)c[nH+]1 ZINC001257459185 971380947 /nfs/dbraw/zinc/38/09/47/971380947.db2.gz NKCPHFFKCJPMPM-UHFFFAOYSA-N 2 2 233.359 2.853 20 0 BFADLP CCC[C@@H](C)CC[C@@H](C)[NH2+]CC1C[NH+](C)C1 ZINC001257469886 971394368 /nfs/dbraw/zinc/39/43/68/971394368.db2.gz BUOSHMCCUHLNGN-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC=C(Cl)Cl ZINC000407458868 971895822 /nfs/dbraw/zinc/89/58/22/971895822.db2.gz QCOJERZUDFIREH-PBINXNQUSA-N 2 2 249.185 2.650 20 0 BFADLP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC=C(Cl)Cl ZINC000407458868 971895826 /nfs/dbraw/zinc/89/58/26/971895826.db2.gz QCOJERZUDFIREH-PBINXNQUSA-N 2 2 249.185 2.650 20 0 BFADLP [NH3+][C@H](C[NH+]1C[C@H]2CCCC[C@@H]2C1)c1ccccc1 ZINC000311071757 971989132 /nfs/dbraw/zinc/98/91/32/971989132.db2.gz MGNKWZZCQCKNEP-BZUAXINKSA-N 2 2 244.382 2.808 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+][C@@H]1C[NH2+][C@@H](C)C1 ZINC001246436773 972312506 /nfs/dbraw/zinc/31/25/06/972312506.db2.gz ACXKXCGXYIJKBE-STQMWFEESA-N 2 2 232.371 2.570 20 0 BFADLP CCc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000398961979 958458580 /nfs/dbraw/zinc/45/85/80/958458580.db2.gz NRFDXARIWKCMKA-CJNGLKHVSA-N 2 2 246.398 2.821 20 0 BFADLP CCc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000398961979 958458587 /nfs/dbraw/zinc/45/85/87/958458587.db2.gz NRFDXARIWKCMKA-CJNGLKHVSA-N 2 2 246.398 2.821 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC001246491957 972353618 /nfs/dbraw/zinc/35/36/18/972353618.db2.gz VIZZFNVBYHNYNA-XPKDYRNWSA-N 2 2 244.382 2.712 20 0 BFADLP C[C@]1([NH3+])CC[N@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000405857283 959521691 /nfs/dbraw/zinc/52/16/91/959521691.db2.gz BFDUDPXNIKMELQ-ZDUSSCGKSA-N 2 2 240.297 2.547 20 0 BFADLP C[C@]1([NH3+])CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000405857283 959521708 /nfs/dbraw/zinc/52/17/08/959521708.db2.gz BFDUDPXNIKMELQ-ZDUSSCGKSA-N 2 2 240.297 2.547 20 0 BFADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001140799746 960575290 /nfs/dbraw/zinc/57/52/90/960575290.db2.gz KQFBGVFQAHEBGL-VXGBXAGGSA-N 2 2 241.338 2.795 20 0 BFADLP CCCCc1[nH]c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC001141074013 960864231 /nfs/dbraw/zinc/86/42/31/960864231.db2.gz SSWDYSLTDDMKNT-YPMHNXCESA-N 2 2 233.359 2.737 20 0 BFADLP CCCCc1[nH]c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c[nH+]1 ZINC001141074013 960864234 /nfs/dbraw/zinc/86/42/34/960864234.db2.gz SSWDYSLTDDMKNT-YPMHNXCESA-N 2 2 233.359 2.737 20 0 BFADLP Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)cc(C(C)C)[nH+]1 ZINC000709848776 961713902 /nfs/dbraw/zinc/71/39/02/961713902.db2.gz IZYSPQSRPCNBNA-RYUDHWBXSA-N 2 2 248.374 2.590 20 0 BFADLP Cn1c[nH+]cc1CC[NH+]1CCCCCCCC1 ZINC000839032924 963024521 /nfs/dbraw/zinc/02/45/21/963024521.db2.gz ZZWRUJYMCKODBU-UHFFFAOYSA-N 2 2 235.375 2.619 20 0 BFADLP Cc1ccc(N2CC[C@H]([N@@H+](C)C(C)C)C2)[nH+]c1C ZINC001157010464 963511942 /nfs/dbraw/zinc/51/19/42/963511942.db2.gz QDIPYFPTJZYTHF-AWEZNQCLSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1ccc(N2CC[C@H]([N@H+](C)C(C)C)C2)[nH+]c1C ZINC001157010464 963511950 /nfs/dbraw/zinc/51/19/50/963511950.db2.gz QDIPYFPTJZYTHF-AWEZNQCLSA-N 2 2 247.386 2.617 20 0 BFADLP CC1CCC([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)CC1 ZINC001168204233 963978362 /nfs/dbraw/zinc/97/83/62/963978362.db2.gz GBYZUJNDSXASMV-RUXDESIVSA-N 2 2 236.403 2.782 20 0 BFADLP CC1CCC([NH2+][C@H]2CC[N@H+](C3CCC3)C2)CC1 ZINC001168204233 963978369 /nfs/dbraw/zinc/97/83/69/963978369.db2.gz GBYZUJNDSXASMV-RUXDESIVSA-N 2 2 236.403 2.782 20 0 BFADLP CC1CCC([NH2+]CCOc2cc[nH+]cc2)CC1 ZINC001168208704 963983229 /nfs/dbraw/zinc/98/32/29/963983229.db2.gz ARTURVTUEWUODB-UHFFFAOYSA-N 2 2 234.343 2.629 20 0 BFADLP CC(C)([NH3+])c1ccc(Nc2ccc(N)[nH+]c2)cc1 ZINC001159282105 964050917 /nfs/dbraw/zinc/05/09/17/964050917.db2.gz NEWUXBPYRYKIIL-UHFFFAOYSA-N 2 2 242.326 2.601 20 0 BFADLP Cc1ccc(Nc2ccc3c(c2)C[NH2+]CC3)[nH+]c1 ZINC001159615579 964133427 /nfs/dbraw/zinc/13/34/27/964133427.db2.gz JAMAXDWYWDVOPM-UHFFFAOYSA-N 2 2 239.322 2.779 20 0 BFADLP Cc1cc[nH+]c2cc(NC3=CCC[NH2+]C3)ccc12 ZINC001159735859 964170344 /nfs/dbraw/zinc/17/03/44/964170344.db2.gz IBKBUFARWHNUEI-UHFFFAOYSA-N 2 2 239.322 2.832 20 0 BFADLP CC[N@H+](C)c1ccc(NC2=C[NH2+]CCC2)cc1 ZINC001160372898 964293440 /nfs/dbraw/zinc/29/34/40/964293440.db2.gz VLZQCOAHFZPDGN-UHFFFAOYSA-N 2 2 231.343 2.779 20 0 BFADLP CC[N@@H+](C)c1ccc(NC2=C[NH2+]CCC2)cc1 ZINC001160372898 964293445 /nfs/dbraw/zinc/29/34/45/964293445.db2.gz VLZQCOAHFZPDGN-UHFFFAOYSA-N 2 2 231.343 2.779 20 0 BFADLP Cc1ccc(F)c(C[NH2+]CC[C@@H](C)[NH+](C)C)c1 ZINC000697918446 964679057 /nfs/dbraw/zinc/67/90/57/964679057.db2.gz BOVQDUZQWJXOMA-GFCCVEGCSA-N 2 2 238.350 2.564 20 0 BFADLP Cc1ccc(NC2C[NH+](C(C)(C)C)C2)[nH+]c1C ZINC001162221429 964880860 /nfs/dbraw/zinc/88/08/60/964880860.db2.gz MUMYNLADUZMGMO-UHFFFAOYSA-N 2 2 233.359 2.593 20 0 BFADLP Cc1cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c[nH+]c1C ZINC001162457850 964984034 /nfs/dbraw/zinc/98/40/34/964984034.db2.gz RRXWSHVLRBXELZ-OCCSQVGLSA-N 2 2 247.386 2.746 20 0 BFADLP c1cn(-c2ccc(C[NH2+][C@@H]3C=CCC3)cc2)c[nH+]1 ZINC000698188342 965092623 /nfs/dbraw/zinc/09/26/23/965092623.db2.gz BNZGTTWJHKOEEJ-CQSZACIVSA-N 2 2 239.322 2.681 20 0 BFADLP CC(C)(C)C(=[NH2+])Nc1cccn2c[nH+]cc12 ZINC001162665574 965102393 /nfs/dbraw/zinc/10/23/93/965102393.db2.gz IWSCWZAMCRLTAD-UHFFFAOYSA-N 2 2 216.288 2.770 20 0 BFADLP C/C(=C\C=C\[NH3+])n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001162910483 965207285 /nfs/dbraw/zinc/20/72/85/965207285.db2.gz UYUAVRSVFSUMHK-VBSGKBQWSA-N 2 2 241.338 2.994 20 0 BFADLP C[C@@H]1CC[C@@H](C[NH3+])CN1c1cccc(C2CC2)[nH+]1 ZINC001164472910 965895791 /nfs/dbraw/zinc/89/57/91/965895791.db2.gz ASFIPEQMCOLCSJ-NEPJUHHUSA-N 2 2 245.370 2.523 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000400451775 965950097 /nfs/dbraw/zinc/95/00/97/965950097.db2.gz OUEKPLYVXCJTEH-WOPDTQHZSA-N 2 2 238.400 2.848 20 0 BFADLP CC1=CC[C@@H](CC[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1(C)C ZINC001235166660 966025521 /nfs/dbraw/zinc/02/55/21/966025521.db2.gz VBQRRHBFOGVILX-OFQRWUPVSA-N 2 2 248.414 2.792 20 0 BFADLP CC1=CC[C@@H](CC[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)C1(C)C ZINC001235166660 966025536 /nfs/dbraw/zinc/02/55/36/966025536.db2.gz VBQRRHBFOGVILX-OFQRWUPVSA-N 2 2 248.414 2.792 20 0 BFADLP Cc1ccccc1C[N@@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236201265 966308372 /nfs/dbraw/zinc/30/83/72/966308372.db2.gz LNVWVPASYRXAFJ-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP Cc1ccccc1C[N@H+](C)[C@]1(C)CCC[NH2+]C1 ZINC001236201265 966308381 /nfs/dbraw/zinc/30/83/81/966308381.db2.gz LNVWVPASYRXAFJ-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP CC1(C[NH3+])C[NH+](Cc2cc3ccccc3s2)C1 ZINC001206717753 966398926 /nfs/dbraw/zinc/39/89/26/966398926.db2.gz FIFNYXBHMZAWLZ-UHFFFAOYSA-N 2 2 246.379 2.682 20 0 BFADLP CCc1[nH]c(C[NH+]2CCC3(CC3)CC2)c(C)[nH+]1 ZINC001203235949 966576346 /nfs/dbraw/zinc/57/63/46/966576346.db2.gz CWRTVKPHXVRBTN-UHFFFAOYSA-N 2 2 233.359 2.657 20 0 BFADLP CNc1ccc(Nc2ccc3[nH+]ccn3c2)c[nH+]1 ZINC001203448648 966646023 /nfs/dbraw/zinc/64/60/23/966646023.db2.gz DDEMTUFQDAWMNT-UHFFFAOYSA-N 2 2 239.282 2.515 20 0 BFADLP CC[N@H+](Cc1cccs1)C1CC[NH+](C)CC1 ZINC001204015572 966856406 /nfs/dbraw/zinc/85/64/06/966856406.db2.gz YJUSPDXVHBNEDX-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP CC[N@@H+](Cc1cccs1)C1CC[NH+](C)CC1 ZINC001204015572 966856413 /nfs/dbraw/zinc/85/64/13/966856413.db2.gz YJUSPDXVHBNEDX-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)Cc1sccc1C ZINC001204023179 966858419 /nfs/dbraw/zinc/85/84/19/966858419.db2.gz DOTRNBCCFAFLFH-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1sccc1C ZINC001204023179 966858421 /nfs/dbraw/zinc/85/84/21/966858421.db2.gz DOTRNBCCFAFLFH-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP Cc1cc(C)c(Nc2c[nH+]c(N)c(C)c2)c[nH+]1 ZINC001249783609 967061675 /nfs/dbraw/zinc/06/16/75/967061675.db2.gz APOZHQVSHXELPZ-UHFFFAOYSA-N 2 2 228.299 2.728 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205189632 967417586 /nfs/dbraw/zinc/41/75/86/967417586.db2.gz FJYQXGJHODUYCI-IUODEOHRSA-N 2 2 246.398 2.906 20 0 BFADLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(C)(C)C)c1 ZINC001205189632 967417591 /nfs/dbraw/zinc/41/75/91/967417591.db2.gz FJYQXGJHODUYCI-IUODEOHRSA-N 2 2 246.398 2.906 20 0 BFADLP [NH3+]C1(c2ccccc2-c2ccc3[nH+]ccn3c2)CC1 ZINC001240218456 967428975 /nfs/dbraw/zinc/42/89/75/967428975.db2.gz DCYGYBYPKQHGIL-UHFFFAOYSA-N 2 2 249.317 2.949 20 0 BFADLP C[C@@]1([NH3+])CCC[N@H+](Cc2ccc(Cl)o2)CC1 ZINC001205289048 967484478 /nfs/dbraw/zinc/48/44/78/967484478.db2.gz RWEMMQREAXWVDI-GFCCVEGCSA-N 2 2 242.750 2.636 20 0 BFADLP C[C@@]1([NH3+])CCC[N@@H+](Cc2ccc(Cl)o2)CC1 ZINC001205289048 967484484 /nfs/dbraw/zinc/48/44/84/967484484.db2.gz RWEMMQREAXWVDI-GFCCVEGCSA-N 2 2 242.750 2.636 20 0 BFADLP c1cn2cccc(Nc3ccc4c[nH+]cn4c3)c2[nH+]1 ZINC001250323983 967701502 /nfs/dbraw/zinc/70/15/02/967701502.db2.gz MCQIYROEYZBRAQ-UHFFFAOYSA-N 2 2 249.277 2.726 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2cccc3occc32)C[C@@H]1[NH3+] ZINC001205888732 967875358 /nfs/dbraw/zinc/87/53/58/967875358.db2.gz JBCMKXDHVXMGOD-RISCZKNCSA-N 2 2 244.338 2.602 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2cccc3occc32)C[C@@H]1[NH3+] ZINC001205888732 967875360 /nfs/dbraw/zinc/87/53/60/967875360.db2.gz JBCMKXDHVXMGOD-RISCZKNCSA-N 2 2 244.338 2.602 20 0 BFADLP CC[NH2+]CC[N@@H+](Cc1ccccc1)CC(C)C ZINC001205923091 967885369 /nfs/dbraw/zinc/88/53/69/967885369.db2.gz IMZLKIKCTHGNET-UHFFFAOYSA-N 2 2 234.387 2.754 20 0 BFADLP CC[NH2+]CC[N@H+](Cc1ccccc1)CC(C)C ZINC001205923091 967885371 /nfs/dbraw/zinc/88/53/71/967885371.db2.gz IMZLKIKCTHGNET-UHFFFAOYSA-N 2 2 234.387 2.754 20 0 BFADLP CCCCc1ccc(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206064769 968032639 /nfs/dbraw/zinc/03/26/39/968032639.db2.gz BYMVDLDWAYDZRH-CZUORRHYSA-N 2 2 246.398 2.808 20 0 BFADLP CCCCc1ccc(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC001206064769 968032644 /nfs/dbraw/zinc/03/26/44/968032644.db2.gz BYMVDLDWAYDZRH-CZUORRHYSA-N 2 2 246.398 2.808 20 0 BFADLP CC1=C[C@H](C)[C@@H](C[N@@H+]2CC[NH2+]C[C@@H](C)C2)CC1 ZINC001206269974 968187938 /nfs/dbraw/zinc/18/79/38/968187938.db2.gz ZHXZTZHDYFIZHG-QLFBSQMISA-N 2 2 236.403 2.520 20 0 BFADLP CC1=C[C@H](C)[C@@H](C[N@H+]2CC[NH2+]C[C@@H](C)C2)CC1 ZINC001206269974 968187944 /nfs/dbraw/zinc/18/79/44/968187944.db2.gz ZHXZTZHDYFIZHG-QLFBSQMISA-N 2 2 236.403 2.520 20 0 BFADLP CC(C)c1cccc(C[NH+]2CC(C)(C[NH3+])C2)c1 ZINC001206737218 968447037 /nfs/dbraw/zinc/44/70/37/968447037.db2.gz NOZLTPINEILPLK-UHFFFAOYSA-N 2 2 232.371 2.591 20 0 BFADLP CC(C)(C)CC[NH2+]CC[N@@H+]1CCC(C)(C)C1 ZINC000087259205 968775012 /nfs/dbraw/zinc/77/50/12/968775012.db2.gz KYJIBMLQNRTXDI-UHFFFAOYSA-N 2 2 226.408 2.744 20 0 BFADLP CC(C)(C)CC[NH2+]CC[N@H+]1CCC(C)(C)C1 ZINC000087259205 968775021 /nfs/dbraw/zinc/77/50/21/968775021.db2.gz KYJIBMLQNRTXDI-UHFFFAOYSA-N 2 2 226.408 2.744 20 0 BFADLP c1ccc(C[NH+]2CC(C[NH2+]C3CCCC3)C2)cc1 ZINC000716266417 968816666 /nfs/dbraw/zinc/81/66/66/968816666.db2.gz BGDRYXXGBAACKK-UHFFFAOYSA-N 2 2 244.382 2.651 20 0 BFADLP CC[C@H](C)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716268944 968821596 /nfs/dbraw/zinc/82/15/96/968821596.db2.gz IKRYNQDFWZNMGX-ZDUSSCGKSA-N 2 2 232.371 2.507 20 0 BFADLP C=Cc1ccc(NC[C@H]2CCC[NH2+]C[C@H]2C)[nH+]c1 ZINC001155028454 968856323 /nfs/dbraw/zinc/85/63/23/968856323.db2.gz AALZIGSHPMBAIQ-TZMCWYRMSA-N 2 2 245.370 2.772 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCC1 ZINC001207764175 968877912 /nfs/dbraw/zinc/87/79/12/968877912.db2.gz ZZGQQXGJLXVRGW-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCC1 ZINC001207764175 968877915 /nfs/dbraw/zinc/87/79/15/968877915.db2.gz ZZGQQXGJLXVRGW-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP CC/C=C\CCC[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208138668 969047698 /nfs/dbraw/zinc/04/76/98/969047698.db2.gz QUJMPERNHRATMB-ZYOQUQOHSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001208138668 969047707 /nfs/dbraw/zinc/04/77/07/969047707.db2.gz QUJMPERNHRATMB-ZYOQUQOHSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001208138668 969047718 /nfs/dbraw/zinc/04/77/18/969047718.db2.gz QUJMPERNHRATMB-ZYOQUQOHSA-N 2 2 236.403 2.759 20 0 BFADLP CC/C=C\CCC[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001208138668 969047727 /nfs/dbraw/zinc/04/77/27/969047727.db2.gz QUJMPERNHRATMB-ZYOQUQOHSA-N 2 2 236.403 2.759 20 0 BFADLP C[N@@H+]1CCC[C@@H](C[NH+](Cc2ccco2)C2CC2)C1 ZINC001208618185 969178357 /nfs/dbraw/zinc/17/83/57/969178357.db2.gz SEFLLWVDUBIIOL-CYBMUJFWSA-N 2 2 248.370 2.586 20 0 BFADLP C[N@H+]1CCC[C@@H](C[NH+](Cc2ccco2)C2CC2)C1 ZINC001208618185 969178361 /nfs/dbraw/zinc/17/83/61/969178361.db2.gz SEFLLWVDUBIIOL-CYBMUJFWSA-N 2 2 248.370 2.586 20 0 BFADLP C[NH+]1CCC[C@@H](C[N@H+](Cc2ccco2)C2CC2)C1 ZINC001208618185 969178365 /nfs/dbraw/zinc/17/83/65/969178365.db2.gz SEFLLWVDUBIIOL-CYBMUJFWSA-N 2 2 248.370 2.586 20 0 BFADLP C[NH+]1CCC[C@@H](C[N@@H+](Cc2ccco2)C2CC2)C1 ZINC001208618185 969178370 /nfs/dbraw/zinc/17/83/70/969178370.db2.gz SEFLLWVDUBIIOL-CYBMUJFWSA-N 2 2 248.370 2.586 20 0 BFADLP CC[N@H+](CCC1CCCC1)CCn1cc[nH+]c1 ZINC001208696184 969196963 /nfs/dbraw/zinc/19/69/63/969196963.db2.gz PFRVFXQVJPPHMV-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CC[N@@H+](CCC1CCCC1)CCn1cc[nH+]c1 ZINC001208696184 969196964 /nfs/dbraw/zinc/19/69/64/969196964.db2.gz PFRVFXQVJPPHMV-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254833636 969795421 /nfs/dbraw/zinc/79/54/21/969795421.db2.gz QLQQITSCYBKLAM-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC3CC[NH+](CC3)C2)cc1 ZINC001254833550 969796934 /nfs/dbraw/zinc/79/69/34/969796934.db2.gz ZYJYZZXCJRPDPR-MRXNPFEDSA-N 2 2 244.382 2.569 20 0 BFADLP C[C@@H]([NH2+][C@H]1CC2CC[NH+](CC2)C1)C1CCCC1 ZINC001254840032 969802172 /nfs/dbraw/zinc/80/21/72/969802172.db2.gz AHROMVDCGUNDDQ-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)(CC1CC1)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254844700 969803948 /nfs/dbraw/zinc/80/39/48/969803948.db2.gz KMBODANZXPIUOT-CQSZACIVSA-N 2 2 236.403 2.639 20 0 BFADLP CC1(C)CC[C@@H]([NH2+][C@H]2CC3CC[NH+](CC3)C2)C1 ZINC001254844102 969804688 /nfs/dbraw/zinc/80/46/88/969804688.db2.gz HWYVRJHNQUFOHQ-KGLIPLIRSA-N 2 2 236.403 2.639 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@@]1(C)CCC[N@H+](C)C1 ZINC001255319279 970094705 /nfs/dbraw/zinc/09/47/05/970094705.db2.gz HIXBNNCQQYKIGJ-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@@]1(C)CCC[N@@H+](C)C1 ZINC001255319279 970094715 /nfs/dbraw/zinc/09/47/15/970094715.db2.gz HIXBNNCQQYKIGJ-OLZOCXBDSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@H](C)[N@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001255333760 970116320 /nfs/dbraw/zinc/11/63/20/970116320.db2.gz XJHILIJPSGSHPZ-IHRRRGAJSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[N@@H+]1C[C@H]2[C@H](C1)CCC[NH+]2C ZINC001255333760 970116325 /nfs/dbraw/zinc/11/63/25/970116325.db2.gz XJHILIJPSGSHPZ-IHRRRGAJSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@@H+]2C ZINC001255333760 970116333 /nfs/dbraw/zinc/11/63/33/970116333.db2.gz XJHILIJPSGSHPZ-IHRRRGAJSA-N 2 2 224.392 2.591 20 0 BFADLP CCCC[C@H](C)[NH+]1C[C@H]2[C@H](C1)CCC[N@H+]2C ZINC001255333760 970116338 /nfs/dbraw/zinc/11/63/38/970116338.db2.gz XJHILIJPSGSHPZ-IHRRRGAJSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@H+]([C@H]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC001170145976 970436715 /nfs/dbraw/zinc/43/67/15/970436715.db2.gz XGEOWYADKYOTJO-JSGCOSHPSA-N 2 2 224.392 2.591 20 0 BFADLP CC[N@@H+]([C@H]1CC[C@H](C)C1)C1CC[NH+](C)CC1 ZINC001170145976 970436722 /nfs/dbraw/zinc/43/67/22/970436722.db2.gz XGEOWYADKYOTJO-JSGCOSHPSA-N 2 2 224.392 2.591 20 0 BFADLP C[C@@H]1CC[C@@H](n2cc[nH+]c2[C@@H]2CCC[NH2+]C2)C1 ZINC001170149668 970449288 /nfs/dbraw/zinc/44/92/88/970449288.db2.gz LHLQACYLNADDAI-JHJVBQTASA-N 2 2 233.359 2.711 20 0 BFADLP CC[NH+](CC)CC[C@@H](C)[NH2+]Cc1ccc(C)cn1 ZINC001255941411 970570471 /nfs/dbraw/zinc/57/04/71/970570471.db2.gz QGWGQYBDZGTONZ-CQSZACIVSA-N 2 2 249.402 2.600 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[NH2+][C@H](C)c1ccccn1 ZINC001255940806 970571349 /nfs/dbraw/zinc/57/13/49/970571349.db2.gz GVSAZHSVMUUOHX-UONOGXRCSA-N 2 2 249.402 2.853 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[NH2+]Cc1ccc(C)cn1 ZINC001255941410 970573068 /nfs/dbraw/zinc/57/30/68/970573068.db2.gz QGWGQYBDZGTONZ-AWEZNQCLSA-N 2 2 249.402 2.600 20 0 BFADLP CC(C)[NH+](C(C)C)C1CC[NH+](C2CC2)CC1 ZINC001256072299 970632974 /nfs/dbraw/zinc/63/29/74/970632974.db2.gz ARRPOAJSXJQOOE-UHFFFAOYSA-N 2 2 224.392 2.732 20 0 BFADLP C1CC1[NH+]1CCC([N@@H+]2[C@H]3CC[C@@H]2CCC3)CC1 ZINC001256081004 970651261 /nfs/dbraw/zinc/65/12/61/970651261.db2.gz KVDIDRUAZBOAJK-OKILXGFUSA-N 2 2 234.387 2.630 20 0 BFADLP C1CC1[NH+]1CCC([N@H+]2[C@H]3CC[C@@H]2CCC3)CC1 ZINC001256081004 970651263 /nfs/dbraw/zinc/65/12/63/970651263.db2.gz KVDIDRUAZBOAJK-OKILXGFUSA-N 2 2 234.387 2.630 20 0 BFADLP CC[C@@H]1CCCC[C@H]1C[NH2+]CCn1cc[nH+]c1 ZINC000401320954 970680523 /nfs/dbraw/zinc/68/05/23/970680523.db2.gz ACVGFNCMXRIUMO-KGLIPLIRSA-N 2 2 235.375 2.689 20 0 BFADLP CC[C@H](C)C[N@@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222553571 972562427 /nfs/dbraw/zinc/56/24/27/972562427.db2.gz XNWAVMMWUAQMHD-RCBQFDQVSA-N 2 2 244.382 2.604 20 0 BFADLP CC[C@H](C)C[N@H+]1Cc2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001222553571 972562432 /nfs/dbraw/zinc/56/24/32/972562432.db2.gz XNWAVMMWUAQMHD-RCBQFDQVSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[C@H]([N@@H+]2C[C@@H]([NH3+])C[C@H](F)C2)CC(C)(C)C1 ZINC001246586038 972961084 /nfs/dbraw/zinc/96/10/84/972961084.db2.gz PRGFLNGQOVXKPY-VOAKCMCISA-N 2 2 242.382 2.572 20 0 BFADLP C[C@@H]1C[C@H]([N@H+]2C[C@@H]([NH3+])C[C@H](F)C2)CC(C)(C)C1 ZINC001246586038 972961096 /nfs/dbraw/zinc/96/10/96/972961096.db2.gz PRGFLNGQOVXKPY-VOAKCMCISA-N 2 2 242.382 2.572 20 0 BFADLP CCCCC[C@@H](CC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652590 973069149 /nfs/dbraw/zinc/06/91/49/973069149.db2.gz GGZQOSRCDCFSJV-BFHYXJOUSA-N 2 2 224.392 2.768 20 0 BFADLP CCCCC[C@@H](CC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246652590 973069169 /nfs/dbraw/zinc/06/91/69/973069169.db2.gz GGZQOSRCDCFSJV-BFHYXJOUSA-N 2 2 224.392 2.768 20 0 BFADLP CCCCC[C@H](CCC)[N@@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246914228 973444345 /nfs/dbraw/zinc/44/43/45/973444345.db2.gz BVZWCJNPUJYFHU-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[C@H](CCC)[N@H+]1C[C@H]2C[NH2+]C[C@H]21 ZINC001246914228 973444359 /nfs/dbraw/zinc/44/43/59/973444359.db2.gz BVZWCJNPUJYFHU-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+](Cc1ccc(C)c(C)c1)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246912651 973455081 /nfs/dbraw/zinc/45/50/81/973455081.db2.gz ZQYKGJXQRDJADN-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP CC[N@@H+](Cc1ccc(C)c(C)c1)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246912651 973455090 /nfs/dbraw/zinc/45/50/90/973455090.db2.gz ZQYKGJXQRDJADN-GOEBONIOSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cc(NC[C@@H]2CCCC[NH2+]2)ccc1[NH+](C)C ZINC001171334843 973868342 /nfs/dbraw/zinc/86/83/42/973868342.db2.gz KEEYCUYAYFUVEI-AWEZNQCLSA-N 2 2 247.386 2.615 20 0 BFADLP CC[C@H](CC(C)C)[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172404455 974658389 /nfs/dbraw/zinc/65/83/89/974658389.db2.gz XWBLLANOKXWTEB-RRFJBIMHSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001172404455 974658392 /nfs/dbraw/zinc/65/83/92/974658392.db2.gz XWBLLANOKXWTEB-RRFJBIMHSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001172404455 974658396 /nfs/dbraw/zinc/65/83/96/974658396.db2.gz XWBLLANOKXWTEB-RRFJBIMHSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@H](CC(C)C)[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001172404455 974658403 /nfs/dbraw/zinc/65/84/03/974658403.db2.gz XWBLLANOKXWTEB-RRFJBIMHSA-N 2 2 238.419 2.837 20 0 BFADLP CC[C@@H](CC(C)C)n1c(C)[nH+]c2c1CC[NH2+]CC2 ZINC001172395684 974753337 /nfs/dbraw/zinc/75/33/37/974753337.db2.gz HUDGCIIFFICRAA-ZDUSSCGKSA-N 2 2 249.402 2.877 20 0 BFADLP CC[C@H]1CC[C@H]([N@H+](C)C2CC[NH+](C)CC2)C1 ZINC001173271158 975142428 /nfs/dbraw/zinc/14/24/28/975142428.db2.gz BPIAMLYIXWFSJR-JSGCOSHPSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@H]1CC[C@H]([N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC001173271158 975142430 /nfs/dbraw/zinc/14/24/30/975142430.db2.gz BPIAMLYIXWFSJR-JSGCOSHPSA-N 2 2 224.392 2.591 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001173271833 975146137 /nfs/dbraw/zinc/14/61/37/975146137.db2.gz IIYUIEULRXWASW-QEJZJMRPSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001173271833 975146147 /nfs/dbraw/zinc/14/61/47/975146147.db2.gz IIYUIEULRXWASW-QEJZJMRPSA-N 2 2 236.403 2.639 20 0 BFADLP CC[C@H]1CC[C@@H]([N@@H+]2CCn3c(C)[nH+]cc3C2)C1 ZINC001173279143 975234750 /nfs/dbraw/zinc/23/47/50/975234750.db2.gz GYTGNEHLGQWHKJ-QWHCGFSZSA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@H]1CC[C@@H]([N@H+]2CCn3c(C)[nH+]cc3C2)C1 ZINC001173279143 975234757 /nfs/dbraw/zinc/23/47/57/975234757.db2.gz GYTGNEHLGQWHKJ-QWHCGFSZSA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@H]1CC[C@H]([N@H+](CC)CCn2cc[nH+]c2)C1 ZINC001173285265 975242625 /nfs/dbraw/zinc/24/26/25/975242625.db2.gz VKRPBPTTWLZONH-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@H]1CC[C@H]([N@@H+](CC)CCn2cc[nH+]c2)C1 ZINC001173285265 975242633 /nfs/dbraw/zinc/24/26/33/975242633.db2.gz VKRPBPTTWLZONH-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@@H]1CC[C@H]([N@@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C1 ZINC001173292018 975265693 /nfs/dbraw/zinc/26/56/93/975265693.db2.gz CYOGESFISSALAT-KBXIAJHMSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([N@H+]2C[C@H]3CCC[NH+](C)[C@H]3C2)C1 ZINC001173292018 975265701 /nfs/dbraw/zinc/26/57/01/975265701.db2.gz CYOGESFISSALAT-KBXIAJHMSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@H+](C)[C@H]3C2)C1 ZINC001173292018 975265713 /nfs/dbraw/zinc/26/57/13/975265713.db2.gz CYOGESFISSALAT-KBXIAJHMSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H]1CC[C@H]([NH+]2C[C@H]3CCC[N@@H+](C)[C@H]3C2)C1 ZINC001173292018 975265716 /nfs/dbraw/zinc/26/57/16/975265716.db2.gz CYOGESFISSALAT-KBXIAJHMSA-N 2 2 236.403 2.591 20 0 BFADLP Clc1cc(Nc2cc[nH+]cc2)cn2cc[nH+]c12 ZINC001173881483 975926689 /nfs/dbraw/zinc/92/66/89/975926689.db2.gz VGBVWAJWILKUMN-UHFFFAOYSA-N 2 2 244.685 2.548 20 0 BFADLP CCc1[nH+]ccc(C)c1Nc1cc[nH+]cc1 ZINC001173882363 975928143 /nfs/dbraw/zinc/92/81/43/975928143.db2.gz OYWKCKLPUAPSTO-UHFFFAOYSA-N 2 2 213.284 2.513 20 0 BFADLP CCc1[nH+]ccc(C)c1NC1=CCC[N@H+](C)C1 ZINC001175576301 977579266 /nfs/dbraw/zinc/57/92/66/977579266.db2.gz HQMWNOHSIPDSNU-UHFFFAOYSA-N 2 2 231.343 2.584 20 0 BFADLP CCc1[nH+]ccc(C)c1NC1=CCC[N@@H+](C)C1 ZINC001175576301 977579274 /nfs/dbraw/zinc/57/92/74/977579274.db2.gz HQMWNOHSIPDSNU-UHFFFAOYSA-N 2 2 231.343 2.584 20 0 BFADLP C[N@@H+]1CCC=C(Nc2cccc3cc[nH+]cc32)C1 ZINC001175578945 977599344 /nfs/dbraw/zinc/59/93/44/977599344.db2.gz LLCNUZOLRZWTEM-UHFFFAOYSA-N 2 2 239.322 2.866 20 0 BFADLP C[N@H+]1CCC=C(Nc2cccc3cc[nH+]cc32)C1 ZINC001175578945 977599349 /nfs/dbraw/zinc/59/93/49/977599349.db2.gz LLCNUZOLRZWTEM-UHFFFAOYSA-N 2 2 239.322 2.866 20 0 BFADLP Cc1ccc(Nc2cc(C)[nH+]c(C)c2)c(C)[nH+]1 ZINC001176052061 977898829 /nfs/dbraw/zinc/89/88/29/977898829.db2.gz MJHODCAHKPLTCB-UHFFFAOYSA-N 2 2 227.311 2.876 20 0 BFADLP CC1CC(C[NH+]2CCC(c3c[nH+]cn3C)CC2)C1 ZINC001176977642 978266666 /nfs/dbraw/zinc/26/66/66/978266666.db2.gz MBIPVANHNTXNKD-UHFFFAOYSA-N 2 2 247.386 2.646 20 0 BFADLP CC(C)c1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235004979 978947509 /nfs/dbraw/zinc/94/75/09/978947509.db2.gz DJFCKHWYIYSELH-XJKSGUPXSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)c1ccccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235004979 978947514 /nfs/dbraw/zinc/94/75/14/978947514.db2.gz DJFCKHWYIYSELH-XJKSGUPXSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H](CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]21)CC(C)(C)C ZINC001235037262 978957641 /nfs/dbraw/zinc/95/76/41/978957641.db2.gz DUYWOYUTQPUKSD-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]21)CC(C)(C)C ZINC001235037262 978957647 /nfs/dbraw/zinc/95/76/47/978957647.db2.gz DUYWOYUTQPUKSD-MELADBBJSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc([C@@H](C)CC[N@@H+]2CC[C@H]3C[C@@]3([NH3+])C2)o1 ZINC001235164705 978985352 /nfs/dbraw/zinc/98/53/52/978985352.db2.gz CXSRUHMYSRQXPK-CORIIIEPSA-N 2 2 248.370 2.505 20 0 BFADLP Cc1ccc([C@@H](C)CC[N@H+]2CC[C@H]3C[C@@]3([NH3+])C2)o1 ZINC001235164705 978985358 /nfs/dbraw/zinc/98/53/58/978985358.db2.gz CXSRUHMYSRQXPK-CORIIIEPSA-N 2 2 248.370 2.505 20 0 BFADLP C[N@H+](Cc1ccc2cccccc1-2)[C@@H]1CC[NH2+]C1 ZINC001235743026 979140577 /nfs/dbraw/zinc/14/05/77/979140577.db2.gz XKCXKYZUZKYNHN-OAHLLOKOSA-N 2 2 240.350 2.585 20 0 BFADLP C[N@@H+](Cc1ccc2cccccc1-2)[C@@H]1CC[NH2+]C1 ZINC001235743026 979140585 /nfs/dbraw/zinc/14/05/85/979140585.db2.gz XKCXKYZUZKYNHN-OAHLLOKOSA-N 2 2 240.350 2.585 20 0 BFADLP C[N@H+](Cc1ccc2cccccc1-2)[C@H]1CC[NH2+]C1 ZINC001235743025 979141617 /nfs/dbraw/zinc/14/16/17/979141617.db2.gz XKCXKYZUZKYNHN-HNNXBMFYSA-N 2 2 240.350 2.585 20 0 BFADLP C[N@@H+](Cc1ccc2cccccc1-2)[C@H]1CC[NH2+]C1 ZINC001235743025 979141622 /nfs/dbraw/zinc/14/16/22/979141622.db2.gz XKCXKYZUZKYNHN-HNNXBMFYSA-N 2 2 240.350 2.585 20 0 BFADLP C[C@H]([NH3+])C[N@H+](Cc1ccccn1)C1CCCCC1 ZINC001235964071 979236572 /nfs/dbraw/zinc/23/65/72/979236572.db2.gz YOQNNSTWLSSOAT-ZDUSSCGKSA-N 2 2 247.386 2.564 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](Cc1ccccn1)C1CCCCC1 ZINC001235964071 979236585 /nfs/dbraw/zinc/23/65/85/979236585.db2.gz YOQNNSTWLSSOAT-ZDUSSCGKSA-N 2 2 247.386 2.564 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060413 979347493 /nfs/dbraw/zinc/34/74/93/979347493.db2.gz QAQSFAVUZFKDQS-GJZGRUSLSA-N 2 2 236.403 2.641 20 0 BFADLP C(CC1CCCC1)C[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060413 979347502 /nfs/dbraw/zinc/34/75/02/979347502.db2.gz QAQSFAVUZFKDQS-GJZGRUSLSA-N 2 2 236.403 2.641 20 0 BFADLP CC[N@H+](CC[NH2+]C)Cc1cccc2sccc21 ZINC001236144898 979414436 /nfs/dbraw/zinc/41/44/36/979414436.db2.gz BXXRSIZMIQGGTK-UHFFFAOYSA-N 2 2 248.395 2.943 20 0 BFADLP CC[N@@H+](CC[NH2+]C)Cc1cccc2sccc21 ZINC001236144898 979414447 /nfs/dbraw/zinc/41/44/47/979414447.db2.gz BXXRSIZMIQGGTK-UHFFFAOYSA-N 2 2 248.395 2.943 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC001236200576 979445862 /nfs/dbraw/zinc/44/58/62/979445862.db2.gz IDDSBDJEYNHDOU-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@]2(C)CCC[NH2+]C2)c(C)c1 ZINC001236200576 979445869 /nfs/dbraw/zinc/44/58/69/979445869.db2.gz IDDSBDJEYNHDOU-MRXNPFEDSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1C ZINC001236203179 979448756 /nfs/dbraw/zinc/44/87/56/979448756.db2.gz WDROBESNPAAZRZ-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1C ZINC001236203179 979448759 /nfs/dbraw/zinc/44/87/59/979448759.db2.gz WDROBESNPAAZRZ-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CCc1ccc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236201784 979450121 /nfs/dbraw/zinc/45/01/21/979450121.db2.gz MZZJUAADYICUNO-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCc1ccc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC001236201784 979450129 /nfs/dbraw/zinc/45/01/29/979450129.db2.gz MZZJUAADYICUNO-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1coc2ccccc12 ZINC001236868201 979774141 /nfs/dbraw/zinc/77/41/41/979774141.db2.gz IEJOFCMCWBYZDH-LBPRGKRZSA-N 2 2 232.327 2.602 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1coc2ccccc12 ZINC001236868201 979774146 /nfs/dbraw/zinc/77/41/46/979774146.db2.gz IEJOFCMCWBYZDH-LBPRGKRZSA-N 2 2 232.327 2.602 20 0 BFADLP CCC[C@@H](C)CC[NH2+][C@@H]1CCC[N@H+](CC)C1 ZINC001183573550 979851644 /nfs/dbraw/zinc/85/16/44/979851644.db2.gz VMTXAXOWWQVLFK-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@@H](C)CC[NH2+][C@@H]1CCC[N@@H+](CC)C1 ZINC001183573550 979851646 /nfs/dbraw/zinc/85/16/46/979851646.db2.gz VMTXAXOWWQVLFK-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)Cc1ccsc1C ZINC001237975320 980121262 /nfs/dbraw/zinc/12/12/62/980121262.db2.gz ZRFLMBADMPXKDR-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)Cc1ccsc1C ZINC001237975320 980121271 /nfs/dbraw/zinc/12/12/71/980121271.db2.gz ZRFLMBADMPXKDR-UHFFFAOYSA-N 2 2 249.383 2.775 20 0 BFADLP C[C@]1(F)CCC[N@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104433 980154947 /nfs/dbraw/zinc/15/49/47/980154947.db2.gz VKNVKUHUPURRFW-AWEZNQCLSA-N 2 2 247.317 2.658 20 0 BFADLP C[C@]1(F)CCC[N@@H+](Cc2cccc3c[nH+]cn32)C1 ZINC001238104433 980154952 /nfs/dbraw/zinc/15/49/52/980154952.db2.gz VKNVKUHUPURRFW-AWEZNQCLSA-N 2 2 247.317 2.658 20 0 BFADLP [NH3+][C@H]1CCc2ccc(-c3ccc4[nH+]ccn4c3)cc21 ZINC001240221449 981174720 /nfs/dbraw/zinc/17/47/20/981174720.db2.gz SQZFOMFFVUTVLN-HNNXBMFYSA-N 2 2 249.317 2.947 20 0 BFADLP c1cn2ccc(-c3ccc4c(c3)C[NH2+]CC4)cc2[nH+]1 ZINC001240508564 981431487 /nfs/dbraw/zinc/43/14/87/981431487.db2.gz CQMVSJOTBHIYNZ-UHFFFAOYSA-N 2 2 249.317 2.647 20 0 BFADLP [NH3+][C@H]1CCc2c1cccc2-c1ccn2cc[nH+]c2c1 ZINC001240512009 981436857 /nfs/dbraw/zinc/43/68/57/981436857.db2.gz OGKKUCFPQTZRAS-HNNXBMFYSA-N 2 2 249.317 2.947 20 0 BFADLP C[NH2+]Cc1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001240518257 981447816 /nfs/dbraw/zinc/44/78/16/981447816.db2.gz MUJCUPBOVDFFJN-UHFFFAOYSA-N 2 2 237.306 2.721 20 0 BFADLP c1coc([C@@H]2CCCCC[N@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC001580897095 981735995 /nfs/dbraw/zinc/73/59/95/981735995.db2.gz DTNULORYCLUQPZ-KGLIPLIRSA-N 2 2 248.370 2.949 20 0 BFADLP c1coc([C@@H]2CCCCC[N@@H+]2C[C@H]2CCC[NH2+]2)c1 ZINC001580897095 981736005 /nfs/dbraw/zinc/73/60/05/981736005.db2.gz DTNULORYCLUQPZ-KGLIPLIRSA-N 2 2 248.370 2.949 20 0 BFADLP Nc1cc(-c2ccc(C3([NH3+])CCC3)cc2)cc[nH+]1 ZINC001241171195 982322558 /nfs/dbraw/zinc/32/25/58/982322558.db2.gz XMQIBACCZCDDII-UHFFFAOYSA-N 2 2 239.322 2.669 20 0 BFADLP C[NH+](C)Cc1cc(-c2cc[nH+]c(N)c2)ccc1F ZINC001241175767 982326459 /nfs/dbraw/zinc/32/64/59/982326459.db2.gz MEGLCWMKXQGRPL-UHFFFAOYSA-N 2 2 245.301 2.532 20 0 BFADLP CC[C@H]1CC[C@H]([NH2+]CC[NH+]2CCC(C)CC2)C1 ZINC000080459818 982430386 /nfs/dbraw/zinc/43/03/86/982430386.db2.gz WXTJJHKIRAAGHU-GJZGRUSLSA-N 2 2 238.419 2.887 20 0 BFADLP CCc1ccc(NC2CC[NH+](C3CC3)CC2)[nH+]c1 ZINC001354071152 983136225 /nfs/dbraw/zinc/13/62/25/983136225.db2.gz NUXAJQNKUWQIEY-UHFFFAOYSA-N 2 2 245.370 2.683 20 0 BFADLP C[N@@H+]1CCC[C@H]2C[NH+](CC3CCCCC3)C[C@H]21 ZINC001201401632 983204192 /nfs/dbraw/zinc/20/41/92/983204192.db2.gz NUKKAUHVOZSHRG-LSDHHAIUSA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@H]2C[NH+](CC3CCCCC3)C[C@H]21 ZINC001201401632 983204197 /nfs/dbraw/zinc/20/41/97/983204197.db2.gz NUKKAUHVOZSHRG-LSDHHAIUSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@H+](CC3CCCCC3)C[C@H]21 ZINC001201401632 983204199 /nfs/dbraw/zinc/20/41/99/983204199.db2.gz NUKKAUHVOZSHRG-LSDHHAIUSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCCCC3)C[C@H]21 ZINC001201401632 983204207 /nfs/dbraw/zinc/20/42/07/983204207.db2.gz NUKKAUHVOZSHRG-LSDHHAIUSA-N 2 2 236.403 2.593 20 0 BFADLP CC[C@H](C)C[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201516830 983315420 /nfs/dbraw/zinc/31/54/20/983315420.db2.gz DCUKAMROMXBJHQ-ZDUSSCGKSA-N 2 2 226.408 2.837 20 0 BFADLP CC[C@H](C)C[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001201516830 983315425 /nfs/dbraw/zinc/31/54/25/983315425.db2.gz DCUKAMROMXBJHQ-ZDUSSCGKSA-N 2 2 226.408 2.837 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201521282 983319195 /nfs/dbraw/zinc/31/91/95/983319195.db2.gz RVEVPTDOTKZTOJ-TZMCWYRMSA-N 2 2 248.370 2.889 20 0 BFADLP CC[C@@H](C)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2C)C1 ZINC001201521282 983319204 /nfs/dbraw/zinc/31/92/04/983319204.db2.gz RVEVPTDOTKZTOJ-TZMCWYRMSA-N 2 2 248.370 2.889 20 0 BFADLP CC[C@@H](C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201521281 983320525 /nfs/dbraw/zinc/32/05/25/983320525.db2.gz RVEVPTDOTKZTOJ-OCCSQVGLSA-N 2 2 248.370 2.889 20 0 BFADLP CC[C@@H](C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001201521281 983320534 /nfs/dbraw/zinc/32/05/34/983320534.db2.gz RVEVPTDOTKZTOJ-OCCSQVGLSA-N 2 2 248.370 2.889 20 0 BFADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001201630240 983358187 /nfs/dbraw/zinc/35/81/87/983358187.db2.gz NINQDRBTXXWBKD-CQSZACIVSA-N 2 2 248.370 2.889 20 0 BFADLP Cc1c[nH+]ccc1O[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001201630240 983358193 /nfs/dbraw/zinc/35/81/93/983358193.db2.gz NINQDRBTXXWBKD-CQSZACIVSA-N 2 2 248.370 2.889 20 0 BFADLP c1ccc(C[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC001560365260 983933377 /nfs/dbraw/zinc/93/33/77/983933377.db2.gz RJMAMPCKPPOCCL-UHFFFAOYSA-N 2 2 241.338 2.673 20 0 BFADLP CNc1cc(-c2cccc(C[NH2+]C)c2)cc[nH+]1 ZINC001242998800 984364875 /nfs/dbraw/zinc/36/48/75/984364875.db2.gz ZNXKBCOQNQEXKO-UHFFFAOYSA-N 2 2 227.311 2.510 20 0 BFADLP C[N@@H+]1C[C@H]2C[C@@H](C1)[NH+](CC1(C)CCCCC1)C2 ZINC001274905597 984400729 /nfs/dbraw/zinc/40/07/29/984400729.db2.gz HSFCORGRBWSOOF-KGLIPLIRSA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1C[C@H]2C[C@@H](C1)[NH+](CC1(C)CCCCC1)C2 ZINC001274905597 984400740 /nfs/dbraw/zinc/40/07/40/984400740.db2.gz HSFCORGRBWSOOF-KGLIPLIRSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@H+](CC1(C)CCCCC1)C2 ZINC001274905597 984400752 /nfs/dbraw/zinc/40/07/52/984400752.db2.gz HSFCORGRBWSOOF-KGLIPLIRSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1C[C@H]2C[C@@H](C1)[N@@H+](CC1(C)CCCCC1)C2 ZINC001274905597 984400767 /nfs/dbraw/zinc/40/07/67/984400767.db2.gz HSFCORGRBWSOOF-KGLIPLIRSA-N 2 2 236.403 2.593 20 0 BFADLP Cn1c[nH+]cc1-c1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001243066936 984477879 /nfs/dbraw/zinc/47/78/79/984477879.db2.gz DJHBYXWDZIPUSF-ZDUSSCGKSA-N 2 2 227.311 2.512 20 0 BFADLP Cc1ccc(/C=C/C2CC[NH2+]CC2)c(C)[nH+]1 ZINC001243892756 985565760 /nfs/dbraw/zinc/56/57/60/985565760.db2.gz KYQQHIYKUGHRGZ-GQCTYLIASA-N 2 2 216.328 2.711 20 0 BFADLP Cc1cc(CNc2cccc(C[NH3+])c2)cc(C)[nH+]1 ZINC001579600715 986117637 /nfs/dbraw/zinc/11/76/37/986117637.db2.gz APFIEEOXDMSBBJ-UHFFFAOYSA-N 2 2 241.338 2.769 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H](C)C1 ZINC001258826507 986289718 /nfs/dbraw/zinc/28/97/18/986289718.db2.gz DHRIWRPJLXQTMS-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCC[C@H](C)C1 ZINC001258826507 986289730 /nfs/dbraw/zinc/28/97/30/986289730.db2.gz DHRIWRPJLXQTMS-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H](C[NH2+]C1CC(C)(C)C1)[NH+]1CCCCC1 ZINC000381475995 986301134 /nfs/dbraw/zinc/30/11/34/986301134.db2.gz QRLYRBHEDMCJQX-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CNc1cc(-c2ccccc2[C@@H](C)[NH3+])cc[nH+]1 ZINC001244976511 986560860 /nfs/dbraw/zinc/56/08/60/986560860.db2.gz CZPHDKPKBQERMK-SNVBAGLBSA-N 2 2 227.311 2.810 20 0 BFADLP C[N@H+](Cc1ccccc1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254853871 986734396 /nfs/dbraw/zinc/73/43/96/986734396.db2.gz SXTBWRSPDLNUKN-MRXNPFEDSA-N 2 2 244.382 2.603 20 0 BFADLP C[N@@H+](Cc1ccccc1)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254853871 986734403 /nfs/dbraw/zinc/73/44/03/986734403.db2.gz SXTBWRSPDLNUKN-MRXNPFEDSA-N 2 2 244.382 2.603 20 0 BFADLP Cc1cc(-c2ccc(C3([NH3+])CC3)cc2)c[nH+]c1N ZINC001245539101 986924401 /nfs/dbraw/zinc/92/44/01/986924401.db2.gz QRGSRVQPNAXIMD-UHFFFAOYSA-N 2 2 239.322 2.587 20 0 BFADLP Cc1cc(-c2cccc3c2CC[C@@H]3[NH3+])c[nH+]c1N ZINC001245539610 986925748 /nfs/dbraw/zinc/92/57/48/986925748.db2.gz OAYJLOVQMJPYAK-AWEZNQCLSA-N 2 2 239.322 2.585 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+](C3CCCCCC3)C[C@H]21 ZINC001255894034 987078989 /nfs/dbraw/zinc/07/89/89/987078989.db2.gz QZGIPACVGSEAOC-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+](C3CCCCCC3)C[C@H]21 ZINC001255894034 987078977 /nfs/dbraw/zinc/07/89/77/987078977.db2.gz QZGIPACVGSEAOC-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+](C3CCCCCC3)C[C@H]21 ZINC001255894034 987079002 /nfs/dbraw/zinc/07/90/02/987079002.db2.gz QZGIPACVGSEAOC-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+](C3CCCCCC3)C[C@H]21 ZINC001255894034 987079015 /nfs/dbraw/zinc/07/90/15/987079015.db2.gz QZGIPACVGSEAOC-UKRRQHHQSA-N 2 2 236.403 2.735 20 0 BFADLP Cc1c(-c2ccc3c[nH+]cn3c2)ccc2[nH+]ccn21 ZINC001245899600 987127672 /nfs/dbraw/zinc/12/76/72/987127672.db2.gz KSGZBOPBBYRKMF-UHFFFAOYSA-N 2 2 248.289 2.957 20 0 BFADLP CCCC1CCC([NH2+][C@H]2CC[NH2+]C[C@H]2F)CC1 ZINC001246078207 987367449 /nfs/dbraw/zinc/36/74/49/987367449.db2.gz AEPIHZLXVGAFRI-PQAZSJQKSA-N 2 2 242.382 2.635 20 0 BFADLP CC(C)C[C@@H](C)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246090712 987399055 /nfs/dbraw/zinc/39/90/55/987399055.db2.gz GVAQXIIFFQTPMZ-MQYQWHSLSA-N 2 2 244.398 2.737 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C(C)(C)c2ccccc2)C[NH2+]1 ZINC001246094722 987404966 /nfs/dbraw/zinc/40/49/66/987404966.db2.gz XTVNPHXQXRQXJS-TZMCWYRMSA-N 2 2 232.371 2.652 20 0 BFADLP CCCC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246114201 987454655 /nfs/dbraw/zinc/45/46/55/987454655.db2.gz VESOMZWMDXDBAQ-RDBSUJKOSA-N 2 2 244.398 2.881 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246167043 987529299 /nfs/dbraw/zinc/52/92/99/987529299.db2.gz BESQMJSHVHFCTG-GOEBONIOSA-N 2 2 246.398 2.945 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3)CCCC2)C[NH2+]1 ZINC001246180703 987555392 /nfs/dbraw/zinc/55/53/92/987555392.db2.gz RFJRRWREWAQOKW-ZFWWWQNUSA-N 2 2 244.382 2.796 20 0 BFADLP CCCCCC[C@H](CC)[NH2+][C@H]1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001246219153 987616840 /nfs/dbraw/zinc/61/68/40/987616840.db2.gz FPXANNQTNAOIGZ-QPSCCSFWSA-N 2 2 238.419 2.933 20 0 BFADLP CCCCCC[C@@H](CC)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246219136 987617782 /nfs/dbraw/zinc/61/77/82/987617782.db2.gz FPXANNQTNAOIGZ-APIJFGDWSA-N 2 2 238.419 2.933 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246220465 987617795 /nfs/dbraw/zinc/61/77/95/987617795.db2.gz KBGQCGKWGZIHAF-VHDGCEQUSA-N 2 2 238.419 2.645 20 0 BFADLP CC(C)[C@@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246231217 987629725 /nfs/dbraw/zinc/62/97/25/987629725.db2.gz CTRMVXUKCGOTIP-NWANDNLSSA-N 2 2 232.371 2.724 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1ccc(C)cc1 ZINC001246236893 987636317 /nfs/dbraw/zinc/63/63/17/987636317.db2.gz ZOSABSULVVLJSZ-CFVMTHIKSA-N 2 2 232.371 2.786 20 0 BFADLP CC(C)=CCC/C(C)=C/C[NH2+][C@@H]1CC[NH2+]C1 ZINC001246246392 987645915 /nfs/dbraw/zinc/64/59/15/987645915.db2.gz UKCAMGMHUVKFEL-WTWVRAIASA-N 2 2 222.376 2.631 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccccc2)C2CCC2)C[NH2+]1 ZINC001246288596 987682548 /nfs/dbraw/zinc/68/25/48/987682548.db2.gz MAFIVLZNAHDTSF-KCXAZCMYSA-N 2 2 244.382 2.868 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccccc1C ZINC001246315840 987718639 /nfs/dbraw/zinc/71/86/39/987718639.db2.gz WHPDKUNUNWBTGF-DZGCQCFKSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(F)ccc32)C[NH2+]1 ZINC001246318031 987724661 /nfs/dbraw/zinc/72/46/61/987724661.db2.gz OTOKSIMOYIZZNV-ZBINZKHDSA-N 2 2 248.345 2.543 20 0 BFADLP CCCCCC[C@H](C)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246335239 987741121 /nfs/dbraw/zinc/74/11/21/987741121.db2.gz HEYPWIOABLGFGO-STQMWFEESA-N 2 2 244.448 2.640 20 0 BFADLP Fc1ccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCC2)cc1 ZINC001246350552 987761598 /nfs/dbraw/zinc/76/15/98/987761598.db2.gz QFYMRXHJQSHKJA-AWEZNQCLSA-N 2 2 248.345 2.547 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001474641843 987788577 /nfs/dbraw/zinc/78/85/77/987788577.db2.gz HYAONBBWUZGGSW-MRXNPFEDSA-N 2 2 246.398 2.611 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cc2)C1 ZINC001474641843 987788581 /nfs/dbraw/zinc/78/85/81/987788581.db2.gz HYAONBBWUZGGSW-MRXNPFEDSA-N 2 2 246.398 2.611 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC001246438006 987798068 /nfs/dbraw/zinc/79/80/68/987798068.db2.gz HQVBXLLETOIHCA-AWEZNQCLSA-N 2 2 246.398 2.962 20 0 BFADLP CCC[C@@H]([NH2+][C@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC001246476092 987834779 /nfs/dbraw/zinc/83/47/79/987834779.db2.gz RBJIZQSTXQXPEH-LSDHHAIUSA-N 2 2 232.371 2.788 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc(C)cc1 ZINC001246476090 987834888 /nfs/dbraw/zinc/83/48/88/987834888.db2.gz RBJIZQSTXQXPEH-HUUCEWRRSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C[NH2+]1 ZINC001246499398 987854670 /nfs/dbraw/zinc/85/46/70/987854670.db2.gz XXLDMMIDYKHMPN-XNRPHZJLSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@H]1C[N@@H+]([C@@H]2CCCC[NH2+]C2)Cc2ccccc21 ZINC001246549028 987936045 /nfs/dbraw/zinc/93/60/45/987936045.db2.gz PIAIZUOXNVGJIU-DZGCQCFKSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@H]1C[N@H+]([C@@H]2CCCC[NH2+]C2)Cc2ccccc21 ZINC001246549028 987936055 /nfs/dbraw/zinc/93/60/55/987936055.db2.gz PIAIZUOXNVGJIU-DZGCQCFKSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cc(F)ccc1F ZINC001118121223 988019038 /nfs/dbraw/zinc/01/90/38/988019038.db2.gz CHBQAKNUHPNWQZ-VHSXEESVSA-N 2 2 242.313 2.613 20 0 BFADLP CCCC[C@@H](CC(C)C)[N@@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246565921 988033196 /nfs/dbraw/zinc/03/31/96/988033196.db2.gz QQXHWRJLOZVCFT-BFHYXJOUSA-N 2 2 244.398 2.962 20 0 BFADLP CCCC[C@@H](CC(C)C)[N@H+]1CC[C@@H]([NH3+])[C@H](F)C1 ZINC001246565921 988033221 /nfs/dbraw/zinc/03/32/21/988033221.db2.gz QQXHWRJLOZVCFT-BFHYXJOUSA-N 2 2 244.398 2.962 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246588797 988154939 /nfs/dbraw/zinc/15/49/39/988154939.db2.gz XYAYFBPQRXTJDZ-LOWDOPEQSA-N 2 2 230.371 2.572 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@H+]1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001246588797 988154946 /nfs/dbraw/zinc/15/49/46/988154946.db2.gz XYAYFBPQRXTJDZ-LOWDOPEQSA-N 2 2 230.371 2.572 20 0 BFADLP C1[NH2+][C@@H]2CC[N@@H+](C3CCC4(CCCC4)CC3)C[C@H]12 ZINC001246630223 988307160 /nfs/dbraw/zinc/30/71/60/988307160.db2.gz IOXTZSVFKMGBFR-DZGCQCFKSA-N 2 2 248.414 2.783 20 0 BFADLP C1[NH2+][C@@H]2CC[N@H+](C3CCC4(CCCC4)CC3)C[C@H]12 ZINC001246630223 988307176 /nfs/dbraw/zinc/30/71/76/988307176.db2.gz IOXTZSVFKMGBFR-DZGCQCFKSA-N 2 2 248.414 2.783 20 0 BFADLP [NH3+][C@@]12C[C@@H]1CC[N@@H+](C1CCC3(CCCC3)CC1)C2 ZINC001246657609 988388499 /nfs/dbraw/zinc/38/84/99/988388499.db2.gz OPDSCXDUPMBNRY-XJKSGUPXSA-N 2 2 248.414 2.913 20 0 BFADLP [NH3+][C@@]12C[C@@H]1CC[N@H+](C1CCC3(CCCC3)CC1)C2 ZINC001246657609 988388510 /nfs/dbraw/zinc/38/85/10/988388510.db2.gz OPDSCXDUPMBNRY-XJKSGUPXSA-N 2 2 248.414 2.913 20 0 BFADLP CCCCCC[C@H](C)[N@@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246660246 988391538 /nfs/dbraw/zinc/39/15/38/988391538.db2.gz BAIZNWJOOLTXQX-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCCC[C@H](C)[N@H+]1C[C@H]2CC[NH2+]C[C@H]21 ZINC001246660246 988391550 /nfs/dbraw/zinc/39/15/50/988391550.db2.gz BAIZNWJOOLTXQX-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+](Cc1ccccc1)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246779858 988459809 /nfs/dbraw/zinc/45/98/09/988459809.db2.gz VFQIEOGVGCNPHS-DZGCQCFKSA-N 2 2 232.371 2.649 20 0 BFADLP CCC[N@@H+](Cc1ccccc1)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246779858 988459821 /nfs/dbraw/zinc/45/98/21/988459821.db2.gz VFQIEOGVGCNPHS-DZGCQCFKSA-N 2 2 232.371 2.649 20 0 BFADLP c1csc([C@H]2CCC[N@@H+]2[C@@H]2CCC[NH2+]C2)c1 ZINC001246786635 988467680 /nfs/dbraw/zinc/46/76/80/988467680.db2.gz MMSJPHLZLCZMQP-VXGBXAGGSA-N 2 2 236.384 2.637 20 0 BFADLP c1csc([C@H]2CCC[N@H+]2[C@@H]2CCC[NH2+]C2)c1 ZINC001246786635 988467688 /nfs/dbraw/zinc/46/76/88/988467688.db2.gz MMSJPHLZLCZMQP-VXGBXAGGSA-N 2 2 236.384 2.637 20 0 BFADLP C1CCC([N@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246980449 988811951 /nfs/dbraw/zinc/81/19/51/988811951.db2.gz QWPONGUXTHSDMZ-OAHLLOKOSA-N 2 2 236.403 2.926 20 0 BFADLP C1CCC([N@@H+]([C@@H]2CC[NH2+]C2)C2CCCCC2)C1 ZINC001246980449 988811959 /nfs/dbraw/zinc/81/19/59/988811959.db2.gz QWPONGUXTHSDMZ-OAHLLOKOSA-N 2 2 236.403 2.926 20 0 BFADLP CC[N@H+](CCC[NH+](C)C)Cc1cccn1C1CC1 ZINC001325129120 989093257 /nfs/dbraw/zinc/09/32/57/989093257.db2.gz VJNGXZCCOFWHER-UHFFFAOYSA-N 2 2 249.402 2.597 20 0 BFADLP CC[N@@H+](CCC[NH+](C)C)Cc1cccn1C1CC1 ZINC001325129120 989093271 /nfs/dbraw/zinc/09/32/71/989093271.db2.gz VJNGXZCCOFWHER-UHFFFAOYSA-N 2 2 249.402 2.597 20 0 BFADLP C[NH2+][C@@H](C)CC[NH2+][C@H](C)c1cccc(F)c1F ZINC001326474453 989574409 /nfs/dbraw/zinc/57/44/09/989574409.db2.gz XQNSFVNNGNIXFW-VHSXEESVSA-N 2 2 242.313 2.613 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308292676 990960211 /nfs/dbraw/zinc/96/02/11/990960211.db2.gz LJMFRAHDGQNBDW-APIJFGDWSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001308292676 990960227 /nfs/dbraw/zinc/96/02/27/990960227.db2.gz LJMFRAHDGQNBDW-APIJFGDWSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1[nH+]ccn1-c1ccc(C[N@H+](C)CCF)cc1 ZINC001138552193 990971852 /nfs/dbraw/zinc/97/18/52/990971852.db2.gz ZLLYIGSRSYYZIW-UHFFFAOYSA-N 2 2 247.317 2.582 20 0 BFADLP Cc1[nH+]ccn1-c1ccc(C[N@@H+](C)CCF)cc1 ZINC001138552193 990971864 /nfs/dbraw/zinc/97/18/64/990971864.db2.gz ZLLYIGSRSYYZIW-UHFFFAOYSA-N 2 2 247.317 2.582 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+](C1C[C@@H](C)C[C@H](C)C1)C2 ZINC001258160036 991046684 /nfs/dbraw/zinc/04/66/84/991046684.db2.gz PNBQKCHQIHEXEM-RYUDHWBXSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+](C1C[C@@H](C)C[C@H](C)C1)C2 ZINC001258160036 991046691 /nfs/dbraw/zinc/04/66/91/991046691.db2.gz PNBQKCHQIHEXEM-RYUDHWBXSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc2n1CC[N@@H+](C1C[C@H](C)C[C@@H](C)C1)C2 ZINC001258160037 991049723 /nfs/dbraw/zinc/04/97/23/991049723.db2.gz PNBQKCHQIHEXEM-VXGBXAGGSA-N 2 2 247.386 2.832 20 0 BFADLP Cc1[nH+]cc2n1CC[N@H+](C1C[C@H](C)C[C@@H](C)C1)C2 ZINC001258160037 991049735 /nfs/dbraw/zinc/04/97/35/991049735.db2.gz PNBQKCHQIHEXEM-VXGBXAGGSA-N 2 2 247.386 2.832 20 0 BFADLP C[C@H]1CC([N@H+](C)C2CC[NH+](C)CC2)C[C@H](C)C1 ZINC001258161822 991052867 /nfs/dbraw/zinc/05/28/67/991052867.db2.gz FROAIYMXOXMNEM-CHWSQXEVSA-N 2 2 238.419 2.837 20 0 BFADLP C[C@H]1CC([N@@H+](C)C2CC[NH+](C)CC2)C[C@H](C)C1 ZINC001258161822 991052876 /nfs/dbraw/zinc/05/28/76/991052876.db2.gz FROAIYMXOXMNEM-CHWSQXEVSA-N 2 2 238.419 2.837 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H](C)Cc1ccco1 ZINC001258171658 991069264 /nfs/dbraw/zinc/06/92/64/991069264.db2.gz CUCVHRWAKPZXLO-ZDUSSCGKSA-N 2 2 238.375 2.532 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H](C)Cc1ccco1 ZINC001258171658 991069272 /nfs/dbraw/zinc/06/92/72/991069272.db2.gz CUCVHRWAKPZXLO-ZDUSSCGKSA-N 2 2 238.375 2.532 20 0 BFADLP Cc1[nH+]cn([C@H]2CCCC(C)(C)C2)c1CC[NH3+] ZINC001258273779 991201305 /nfs/dbraw/zinc/20/13/05/991201305.db2.gz KKNYUTHRCIKBQU-LBPRGKRZSA-N 2 2 235.375 2.834 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC001308970666 991244075 /nfs/dbraw/zinc/24/40/75/991244075.db2.gz MWFYPTUKSRKCLY-RRFJBIMHSA-N 2 2 240.435 2.987 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[C@H](C)C1 ZINC001559911639 991322458 /nfs/dbraw/zinc/32/24/58/991322458.db2.gz JYJQYSPVGYDRPE-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)[C@@H]1CCC[C@H](C)C1 ZINC001559911639 991322470 /nfs/dbraw/zinc/32/24/70/991322470.db2.gz JYJQYSPVGYDRPE-BYNSBNAKSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1[nH+]ccn1-c1ccccc1C[N@H+](C)CCF ZINC001140028971 991491336 /nfs/dbraw/zinc/49/13/36/991491336.db2.gz DYOGMWUWGXJRJN-UHFFFAOYSA-N 2 2 247.317 2.582 20 0 BFADLP Cc1[nH+]ccn1-c1ccccc1C[N@@H+](C)CCF ZINC001140028971 991491340 /nfs/dbraw/zinc/49/13/40/991491340.db2.gz DYOGMWUWGXJRJN-UHFFFAOYSA-N 2 2 247.317 2.582 20 0 BFADLP Cc1[nH+]c2c(n1[C@H]1CCC(C)(C)C1)CC[NH2+]CC2 ZINC001258599601 991501104 /nfs/dbraw/zinc/50/11/04/991501104.db2.gz AJCUGCBHPJXUOD-LBPRGKRZSA-N 2 2 247.386 2.631 20 0 BFADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCSC(C)C ZINC001560818680 991611577 /nfs/dbraw/zinc/61/15/77/991611577.db2.gz KYEGDYQLNKPUNQ-ZDUSSCGKSA-N 2 2 244.448 2.592 20 0 BFADLP CCC[N@H+]1CCC[C@H]1C[NH2+]CCSC(C)C ZINC001560818680 991611581 /nfs/dbraw/zinc/61/15/81/991611581.db2.gz KYEGDYQLNKPUNQ-ZDUSSCGKSA-N 2 2 244.448 2.592 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258805905 991801927 /nfs/dbraw/zinc/80/19/27/991801927.db2.gz BRLULZSYBWGACR-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258805905 991801930 /nfs/dbraw/zinc/80/19/30/991801930.db2.gz BRLULZSYBWGACR-IHRRRGAJSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC001258815515 991829366 /nfs/dbraw/zinc/82/93/66/991829366.db2.gz XTJNMSSICROUFH-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CC3)C2)C1 ZINC001258815515 991829372 /nfs/dbraw/zinc/82/93/72/991829372.db2.gz XTJNMSSICROUFH-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)[nH+]1 ZINC001320359923 992181189 /nfs/dbraw/zinc/18/11/89/992181189.db2.gz XVPHXRNIKLQXBL-STQMWFEESA-N 2 2 233.359 2.675 20 0 BFADLP CC(C)c1cccc(C[NH2+]CC23CC(C2)C[NH2+]3)c1 ZINC001575859626 993115062 /nfs/dbraw/zinc/11/50/62/993115062.db2.gz FKGZYQJRDADJQS-UHFFFAOYSA-N 2 2 244.382 2.652 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+][C@@H](CC[NH3+])C(F)F ZINC001576435372 993306304 /nfs/dbraw/zinc/30/63/04/993306304.db2.gz YWCLBGYGTFAPBA-UWVGGRQHSA-N 2 2 234.334 2.527 20 0 BFADLP CCCC[C@H](CCC)[NH2+]CCn1cc[nH+]c1 ZINC000381388868 993391912 /nfs/dbraw/zinc/39/19/12/993391912.db2.gz NMQRHOFGDDCNBD-ZDUSSCGKSA-N 2 2 223.364 2.832 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CCC[N@@H+]1Cc1ccc(C2CC2)cc1 ZINC000381526770 993404629 /nfs/dbraw/zinc/40/46/29/993404629.db2.gz ZEXMDYSLNIUNHX-LRDDRELGSA-N 2 2 244.382 2.876 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CCC[N@H+]1Cc1ccc(C2CC2)cc1 ZINC000381526770 993404630 /nfs/dbraw/zinc/40/46/30/993404630.db2.gz ZEXMDYSLNIUNHX-LRDDRELGSA-N 2 2 244.382 2.876 20 0 BFADLP CC(C)Oc1ccc[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000382434705 993459019 /nfs/dbraw/zinc/45/90/19/993459019.db2.gz UQARAPMTORGRBX-NWDGAFQWSA-N 2 2 249.358 2.551 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000385308736 993655081 /nfs/dbraw/zinc/65/50/81/993655081.db2.gz URYWFMDJDHTCQQ-IHRRRGAJSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000385308736 993655085 /nfs/dbraw/zinc/65/50/85/993655085.db2.gz URYWFMDJDHTCQQ-IHRRRGAJSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cc(C[N@H+]2CCC[C@H](C)[C@H]2C[NH3+])cs1 ZINC000390514582 993792246 /nfs/dbraw/zinc/79/22/46/993792246.db2.gz CCLPZPBDERQZDS-GXFFZTMASA-N 2 2 238.400 2.616 20 0 BFADLP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C[NH3+])cs1 ZINC000390514582 993792255 /nfs/dbraw/zinc/79/22/55/993792255.db2.gz CCLPZPBDERQZDS-GXFFZTMASA-N 2 2 238.400 2.616 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000628314045 349434455 /nfs/dbraw/zinc/43/44/55/349434455.db2.gz LCTKDZRKLUJTAU-CQSZACIVSA-N 2 2 246.398 2.782 20 0 BFADLP CC[N@H+](CC1CC[NH2+]CC1)c1ccccc1 ZINC000011805341 398140042 /nfs/dbraw/zinc/14/00/42/398140042.db2.gz ZSAQYMNMUAOYRM-UHFFFAOYSA-N 2 2 218.344 2.513 20 0 BFADLP CC[N@@H+](CC1CC[NH2+]CC1)c1ccccc1 ZINC000011805341 398140053 /nfs/dbraw/zinc/14/00/53/398140053.db2.gz ZSAQYMNMUAOYRM-UHFFFAOYSA-N 2 2 218.344 2.513 20 0 BFADLP C[C@@H]([NH2+]C1(c2cccc(F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422942577 398159775 /nfs/dbraw/zinc/15/97/75/398159775.db2.gz JGIMFOCLEIAZDG-BXUZGUMPSA-N 2 2 248.345 2.545 20 0 BFADLP C[N@H+](Cc1ccc2ccccc2c1)[C@H]1CC[NH2+]C1 ZINC000040834681 398168546 /nfs/dbraw/zinc/16/85/46/398168546.db2.gz MLXZSGRSLJXYNT-INIZCTEOSA-N 2 2 240.350 2.634 20 0 BFADLP C[N@@H+](Cc1ccc2ccccc2c1)[C@H]1CC[NH2+]C1 ZINC000040834681 398168549 /nfs/dbraw/zinc/16/85/49/398168549.db2.gz MLXZSGRSLJXYNT-INIZCTEOSA-N 2 2 240.350 2.634 20 0 BFADLP C[C@H](C[NH2+]CCn1cc[nH+]c1)C1CCCCC1 ZINC000379871499 398173186 /nfs/dbraw/zinc/17/31/86/398173186.db2.gz YEALVYHCDGFSDW-CYBMUJFWSA-N 2 2 235.375 2.689 20 0 BFADLP Cc1cc(C[NH2+][C@H](C)Cn2cc[nH+]c2)ccc1F ZINC000050545500 178037513 /nfs/dbraw/zinc/03/75/13/178037513.db2.gz LAOVGKYHISKMFJ-GFCCVEGCSA-N 2 2 247.317 2.509 20 0 BFADLP Cc1cc([NH+](C)C)ccc1NC1CC[NH+](C)CC1 ZINC000036934738 178095688 /nfs/dbraw/zinc/09/56/88/178095688.db2.gz IRJLMGHAMGICEH-UHFFFAOYSA-N 2 2 247.386 2.567 20 0 BFADLP CC[C@H]([NH2+]CCc1cn(C)c[nH+]1)C1CCCCC1 ZINC000414127508 398217359 /nfs/dbraw/zinc/21/73/59/398217359.db2.gz QAMFNPVVEJSUNF-HNNXBMFYSA-N 2 2 249.402 2.911 20 0 BFADLP CCC(CC)C[N@H+](C)CCCn1cc[nH+]c1 ZINC000336671154 168346858 /nfs/dbraw/zinc/34/68/58/168346858.db2.gz JELLSALTTZMFIL-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CCC(CC)C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000336671154 168346860 /nfs/dbraw/zinc/34/68/60/168346860.db2.gz JELLSALTTZMFIL-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c(C)n1C)[C@@H]1CC1(C)C ZINC000576410869 365589459 /nfs/dbraw/zinc/58/94/59/365589459.db2.gz OBXXDVHMMMGUAN-QWHCGFSZSA-N 2 2 235.375 2.643 20 0 BFADLP CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000518581750 488173294 /nfs/dbraw/zinc/17/32/94/488173294.db2.gz OIODMOZINLMJIF-RBSFLKMASA-N 2 2 238.419 2.885 20 0 BFADLP CCC(CC)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000359980476 168352354 /nfs/dbraw/zinc/35/23/54/168352354.db2.gz ZOYNJBSLWCFLPL-ZDUSSCGKSA-N 2 2 235.375 2.646 20 0 BFADLP CCC(CC)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000359980476 168352355 /nfs/dbraw/zinc/35/23/55/168352355.db2.gz ZOYNJBSLWCFLPL-ZDUSSCGKSA-N 2 2 235.375 2.646 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)s1 ZINC000235212731 178226085 /nfs/dbraw/zinc/22/60/85/178226085.db2.gz SCQYYGNVCCUTHJ-ZYHUDNBSSA-N 2 2 238.400 2.768 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cs1 ZINC000294300485 178231482 /nfs/dbraw/zinc/23/14/82/178231482.db2.gz UYLUXUHDKKNLQQ-CMPLNLGQSA-N 2 2 249.383 2.992 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)oc1C ZINC000337400459 178232529 /nfs/dbraw/zinc/23/25/29/178232529.db2.gz PPABSZPXMJEPJO-VXGBXAGGSA-N 2 2 238.375 2.887 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+]2C)c(C)o1 ZINC000219258811 178249369 /nfs/dbraw/zinc/24/93/69/178249369.db2.gz QISWFNCXMUBZID-AAEUAGOBSA-N 2 2 236.359 2.641 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)c(C)o1 ZINC000219258811 178249371 /nfs/dbraw/zinc/24/93/71/178249371.db2.gz QISWFNCXMUBZID-AAEUAGOBSA-N 2 2 236.359 2.641 20 0 BFADLP Cc1cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(C)s1 ZINC000235516035 178249771 /nfs/dbraw/zinc/24/97/71/178249771.db2.gz SCQYYGNVCCUTHJ-CMPLNLGQSA-N 2 2 238.400 2.768 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)oc1C ZINC000282155326 178254614 /nfs/dbraw/zinc/25/46/14/178254614.db2.gz LJIOSRMYAGYCIG-RYUDHWBXSA-N 2 2 247.342 2.832 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)c(C)o1 ZINC000037158390 178255209 /nfs/dbraw/zinc/25/52/09/178255209.db2.gz BDEPPFDOOZSTIG-PWSUYJOCSA-N 2 2 247.342 2.832 20 0 BFADLP CC[C@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c(C)n1C ZINC000576600238 365638298 /nfs/dbraw/zinc/63/82/98/365638298.db2.gz WOVJQSPJQDULLF-SECBINFHSA-N 2 2 249.280 2.549 20 0 BFADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H]1CC[NH2+]C1 ZINC000094080453 178292881 /nfs/dbraw/zinc/29/28/81/178292881.db2.gz ZCMJYHBOOBBGGN-WCQYABFASA-N 2 2 248.370 2.553 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@@H+]([C@H]2C=CCCC2)C1 ZINC000309657659 342776694 /nfs/dbraw/zinc/77/66/94/342776694.db2.gz FEIKFAMRRXUEER-KGLIPLIRSA-N 2 2 222.376 2.558 20 0 BFADLP CC(C)[NH2+][C@@H]1CCC[N@H+]([C@H]2C=CCCC2)C1 ZINC000309657659 342776695 /nfs/dbraw/zinc/77/66/95/342776695.db2.gz FEIKFAMRRXUEER-KGLIPLIRSA-N 2 2 222.376 2.558 20 0 BFADLP CCC(CC)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000309938451 168388403 /nfs/dbraw/zinc/38/84/03/168388403.db2.gz AQOZNYRYIMEGNA-AWEZNQCLSA-N 2 2 224.392 2.782 20 0 BFADLP CCC(CC)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000309938451 168388406 /nfs/dbraw/zinc/38/84/06/168388406.db2.gz AQOZNYRYIMEGNA-AWEZNQCLSA-N 2 2 224.392 2.782 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000040671849 538972149 /nfs/dbraw/zinc/97/21/49/538972149.db2.gz NDQGFOHXXDQTQM-CABCVRRESA-N 2 2 232.371 2.822 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000040671849 538972151 /nfs/dbraw/zinc/97/21/51/538972151.db2.gz NDQGFOHXXDQTQM-CABCVRRESA-N 2 2 232.371 2.822 20 0 BFADLP C[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040672778 538972708 /nfs/dbraw/zinc/97/27/08/538972708.db2.gz WNJXJWDBEVJKHH-HWOWSKLDSA-N 2 2 244.382 2.616 20 0 BFADLP C[N@H+]1CCC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000040672778 538972710 /nfs/dbraw/zinc/97/27/10/538972710.db2.gz WNJXJWDBEVJKHH-HWOWSKLDSA-N 2 2 244.382 2.616 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1cccc(F)c1 ZINC000040672316 538972741 /nfs/dbraw/zinc/97/27/41/538972741.db2.gz NLCBHKQBNLTACR-RISCZKNCSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1cccc(F)c1 ZINC000040672316 538972742 /nfs/dbraw/zinc/97/27/42/538972742.db2.gz NLCBHKQBNLTACR-RISCZKNCSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000040671959 538972821 /nfs/dbraw/zinc/97/28/21/538972821.db2.gz NZCXZLAKEZWTOU-FZMZJTMJSA-N 2 2 236.334 2.571 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)c1ccc(F)cc1 ZINC000040671959 538972822 /nfs/dbraw/zinc/97/28/22/538972822.db2.gz NZCXZLAKEZWTOU-FZMZJTMJSA-N 2 2 236.334 2.571 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@H+](C)C2)c1 ZINC000040673004 538972945 /nfs/dbraw/zinc/97/29/45/538972945.db2.gz MXDQNWRGFRNHGV-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCC[N@@H+](C)C2)c1 ZINC000040673004 538972947 /nfs/dbraw/zinc/97/29/47/538972947.db2.gz MXDQNWRGFRNHGV-DZGCQCFKSA-N 2 2 232.371 2.740 20 0 BFADLP C[C@H]1C[C@@H](c2ccc(-c3[nH+]ccn3C)cc2)C[NH2+]1 ZINC000630053278 361923407 /nfs/dbraw/zinc/92/34/07/361923407.db2.gz RGSKJTGRZLYSSX-SMDDNHRTSA-N 2 2 241.338 2.553 20 0 BFADLP CC[NH+](CC)C[C@@H](C)Nc1cc(C)cc[nH+]1 ZINC000041677008 538976136 /nfs/dbraw/zinc/97/61/36/538976136.db2.gz KUEXYBBILYONFZ-GFCCVEGCSA-N 2 2 221.348 2.532 20 0 BFADLP Cc1[nH+]cc(-c2cc(C[NH+](C)C)ccc2F)n1C ZINC000630053863 361924674 /nfs/dbraw/zinc/92/46/74/361924674.db2.gz WGTNYCVNCDGDKS-UHFFFAOYSA-N 2 2 247.317 2.596 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349130988 398293002 /nfs/dbraw/zinc/29/30/02/398293002.db2.gz OWJUHLPSVDFBJV-QWHCGFSZSA-N 2 2 235.375 2.646 20 0 BFADLP CCC[C@H](C)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000349130988 398293006 /nfs/dbraw/zinc/29/30/06/398293006.db2.gz OWJUHLPSVDFBJV-QWHCGFSZSA-N 2 2 235.375 2.646 20 0 BFADLP CC(C)CC[C@@H]([NH2+][C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000379732277 538979602 /nfs/dbraw/zinc/97/96/02/538979602.db2.gz XZCMDVHNDVXFCM-HUUCEWRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000379732277 538979603 /nfs/dbraw/zinc/97/96/03/538979603.db2.gz XZCMDVHNDVXFCM-HUUCEWRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000381524661 539003180 /nfs/dbraw/zinc/00/31/80/539003180.db2.gz WDDWZKFYNPDICK-KGLIPLIRSA-N 2 2 226.408 2.600 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000381524661 539003182 /nfs/dbraw/zinc/00/31/82/539003182.db2.gz WDDWZKFYNPDICK-KGLIPLIRSA-N 2 2 226.408 2.600 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000381219119 538996877 /nfs/dbraw/zinc/99/68/77/538996877.db2.gz IMESXJFKYZJJIH-QWHCGFSZSA-N 2 2 226.408 2.600 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CC[C@H](C)C1)C(C)(C)C ZINC000381219119 538996879 /nfs/dbraw/zinc/99/68/79/538996879.db2.gz IMESXJFKYZJJIH-QWHCGFSZSA-N 2 2 226.408 2.600 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000390745970 539027192 /nfs/dbraw/zinc/02/71/92/539027192.db2.gz ACJUXBPNYDXXBJ-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000390745970 539027193 /nfs/dbraw/zinc/02/71/93/539027193.db2.gz ACJUXBPNYDXXBJ-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1coc2ccccc12 ZINC000335633804 136241847 /nfs/dbraw/zinc/24/18/47/136241847.db2.gz DAGSZMZSHSVCRF-BXUZGUMPSA-N 2 2 244.338 2.520 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000134645575 342874751 /nfs/dbraw/zinc/87/47/51/342874751.db2.gz MSQULFSZUMJIAX-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000134645575 342874752 /nfs/dbraw/zinc/87/47/52/342874752.db2.gz MSQULFSZUMJIAX-MELADBBJSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000584002449 342899590 /nfs/dbraw/zinc/89/95/90/342899590.db2.gz ALACNCCLQJBWDZ-UONOGXRCSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@@H]1CC[C@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000584002449 342899591 /nfs/dbraw/zinc/89/95/91/342899591.db2.gz ALACNCCLQJBWDZ-UONOGXRCSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]CCc1cn(C)c[nH+]1 ZINC000313256554 259332163 /nfs/dbraw/zinc/33/21/63/259332163.db2.gz YTYSXHUMIWWOHH-STQMWFEESA-N 2 2 237.391 2.767 20 0 BFADLP CC(C)[C@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313262698 259331954 /nfs/dbraw/zinc/33/19/54/259331954.db2.gz LCGQTUWUCNIQLC-KBPBESRZSA-N 2 2 249.402 2.767 20 0 BFADLP Cc1cccn2c(C[NH2+]C3CC(C)(C)C3)c[nH+]c12 ZINC000576837479 365700744 /nfs/dbraw/zinc/70/07/44/365700744.db2.gz HOWZEUWOEWHQHS-UHFFFAOYSA-N 2 2 243.354 2.921 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448032120 259349249 /nfs/dbraw/zinc/34/92/49/259349249.db2.gz WANDWUXPMNMDPE-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000448032120 259349250 /nfs/dbraw/zinc/34/92/50/259349250.db2.gz WANDWUXPMNMDPE-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C)CCc1ccco1 ZINC000035451099 343296992 /nfs/dbraw/zinc/29/69/92/343296992.db2.gz NOPNPFAOFPAKQE-ZDUSSCGKSA-N 2 2 238.375 2.532 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)[NH+](C)C ZINC000038088032 343369736 /nfs/dbraw/zinc/36/97/36/343369736.db2.gz DNUGOBLYMVUESO-IUODEOHRSA-N 2 2 232.371 2.604 20 0 BFADLP C[C@@H](C[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC000038088904 343370313 /nfs/dbraw/zinc/37/03/13/343370313.db2.gz QZURMANEHBOFLO-ZDUSSCGKSA-N 2 2 242.366 2.880 20 0 BFADLP C[C@H](C[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC000038088905 343370525 /nfs/dbraw/zinc/37/05/25/343370525.db2.gz QZURMANEHBOFLO-CYBMUJFWSA-N 2 2 242.366 2.880 20 0 BFADLP CC[C@@H](C)[NH2+]CC[N@H+](C)Cc1ccccc1 ZINC000037479887 343346613 /nfs/dbraw/zinc/34/66/13/343346613.db2.gz GZFNDKHWMDJLKJ-CYBMUJFWSA-N 2 2 220.360 2.507 20 0 BFADLP CC[C@@H](C)[NH2+]CC[N@@H+](C)Cc1ccccc1 ZINC000037479887 343346614 /nfs/dbraw/zinc/34/66/14/343346614.db2.gz GZFNDKHWMDJLKJ-CYBMUJFWSA-N 2 2 220.360 2.507 20 0 BFADLP CC(C)CCC[N@H+](C)CCCn1cc[nH+]c1 ZINC000349424163 136346272 /nfs/dbraw/zinc/34/62/72/136346272.db2.gz ZPYFXHQZXKSKIU-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP CC(C)CCC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000349424163 136346273 /nfs/dbraw/zinc/34/62/73/136346273.db2.gz ZPYFXHQZXKSKIU-UHFFFAOYSA-N 2 2 223.364 2.641 20 0 BFADLP C[C@H]1CCCC[C@H]1C[N@@H+]1CC[NH+]2CCC1CC2 ZINC000349295446 136337845 /nfs/dbraw/zinc/33/78/45/136337845.db2.gz JKSHKFVHJUUBLR-KBPBESRZSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@H]1CCCC[C@H]1C[N@H+]1CC[NH+]2CCC1CC2 ZINC000349295446 136337846 /nfs/dbraw/zinc/33/78/46/136337846.db2.gz JKSHKFVHJUUBLR-KBPBESRZSA-N 2 2 236.403 2.593 20 0 BFADLP C[C@@H](CCCC(F)(F)F)[NH2+][C@@H](C)C[NH+](C)C ZINC000166691447 136363787 /nfs/dbraw/zinc/36/37/87/136363787.db2.gz CTIXKGXJTBCZPI-UWVGGRQHSA-N 2 2 240.313 2.647 20 0 BFADLP CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000042545284 343442937 /nfs/dbraw/zinc/44/29/37/343442937.db2.gz CDJICRAKDPTLLQ-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000042545284 343442939 /nfs/dbraw/zinc/44/29/39/343442939.db2.gz CDJICRAKDPTLLQ-QWHCGFSZSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000379975312 365771886 /nfs/dbraw/zinc/77/18/86/365771886.db2.gz DBXNYVZWIMNXKS-AGIUHOORSA-N 2 2 214.397 2.741 20 0 BFADLP CCc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)s1 ZINC000225140023 488229879 /nfs/dbraw/zinc/22/98/79/488229879.db2.gz WQNPSPKSAYQBBN-NSHDSACASA-N 2 2 238.400 2.542 20 0 BFADLP C[C@H]1CCC[C@@H](C[N@@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625434987 343735824 /nfs/dbraw/zinc/73/58/24/343735824.db2.gz CINWOROCYGLPJN-NWDGAFQWSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@H]1CCC[C@@H](C[N@H+]2CCc3[nH+]c[nH]c3C2)C1 ZINC000625434987 343735825 /nfs/dbraw/zinc/73/58/25/343735825.db2.gz CINWOROCYGLPJN-NWDGAFQWSA-N 2 2 233.359 2.594 20 0 BFADLP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027636 343784469 /nfs/dbraw/zinc/78/44/69/343784469.db2.gz NFSKJNNIPYDRMY-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP CC(C)c1ccc(C[N@H+]2CCC[C@@H]([NH3+])C2)cc1 ZINC000041027636 343784470 /nfs/dbraw/zinc/78/44/70/343784470.db2.gz NFSKJNNIPYDRMY-OAHLLOKOSA-N 2 2 232.371 2.733 20 0 BFADLP Cc1ccc(C[NH+]2CCC([NH3+])CC2)c(Cl)c1 ZINC000235870344 343795661 /nfs/dbraw/zinc/79/56/61/343795661.db2.gz BFVOEUFITAKIQG-UHFFFAOYSA-N 2 2 238.762 2.572 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348111182 537840658 /nfs/dbraw/zinc/84/06/58/537840658.db2.gz NWKICGCRZXKYFW-QLFBSQMISA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348111182 537840670 /nfs/dbraw/zinc/84/06/70/537840670.db2.gz NWKICGCRZXKYFW-QLFBSQMISA-N 2 2 236.403 2.639 20 0 BFADLP C/C=C\C[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000385048299 344304708 /nfs/dbraw/zinc/30/47/08/344304708.db2.gz SDPHVPYOMCUIDR-WCQMXNECSA-N 2 2 244.382 2.815 20 0 BFADLP C/C=C\C[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000385048299 344304710 /nfs/dbraw/zinc/30/47/10/344304710.db2.gz SDPHVPYOMCUIDR-WCQMXNECSA-N 2 2 244.382 2.815 20 0 BFADLP Cc1cccc(C[N@@H+](C)CCC[NH+](C)C)c1F ZINC000560145015 344647165 /nfs/dbraw/zinc/64/71/65/344647165.db2.gz JOAYEQKARWYAQG-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP Cc1cccc(C[N@H+](C)CCC[NH+](C)C)c1F ZINC000560145015 344647167 /nfs/dbraw/zinc/64/71/67/344647167.db2.gz JOAYEQKARWYAQG-UHFFFAOYSA-N 2 2 238.350 2.518 20 0 BFADLP CC[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)C1CC1 ZINC000152822124 344697342 /nfs/dbraw/zinc/69/73/42/344697342.db2.gz ULIIXSQYXQXSDL-AWEZNQCLSA-N 2 2 247.386 2.540 20 0 BFADLP CCC[N@@H+]1CCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000560582404 344840058 /nfs/dbraw/zinc/84/00/58/344840058.db2.gz BYTJEDQQJDIXPT-AWEZNQCLSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@H+]1CCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000560582404 344840062 /nfs/dbraw/zinc/84/00/62/344840062.db2.gz BYTJEDQQJDIXPT-AWEZNQCLSA-N 2 2 236.403 2.639 20 0 BFADLP C1CC1C([NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)C1CC1 ZINC000153699480 344954861 /nfs/dbraw/zinc/95/48/61/344954861.db2.gz YTIGWHSLOAQPNN-CQSZACIVSA-N 2 2 248.414 2.782 20 0 BFADLP C1CC1C([NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)C1CC1 ZINC000153699480 344954864 /nfs/dbraw/zinc/95/48/64/344954864.db2.gz YTIGWHSLOAQPNN-CQSZACIVSA-N 2 2 248.414 2.782 20 0 BFADLP CCC(CC)C[NH2+]CCCCn1cc[nH+]c1 ZINC000044353202 345032865 /nfs/dbraw/zinc/03/28/65/345032865.db2.gz DKARMMNQHJBYRJ-UHFFFAOYSA-N 2 2 223.364 2.689 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000154556754 345042062 /nfs/dbraw/zinc/04/20/62/345042062.db2.gz MRPACSCVDUIIQG-INWMFGNUSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000154556754 345042065 /nfs/dbraw/zinc/04/20/65/345042065.db2.gz MRPACSCVDUIIQG-INWMFGNUSA-N 2 2 244.382 2.604 20 0 BFADLP CC(C)C[C@@H]1CCCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993582 345190350 /nfs/dbraw/zinc/19/03/50/345190350.db2.gz YQPATCSKHUKWKW-SLTAFYQDSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)C[C@@H]1CCCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993582 345190351 /nfs/dbraw/zinc/19/03/51/345190351.db2.gz YQPATCSKHUKWKW-SLTAFYQDSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)[C@H](C[NH3+])CNc1ccc2c(c1)CCC[NH2+]2 ZINC000634994652 345182461 /nfs/dbraw/zinc/18/24/61/345182461.db2.gz JSFDJAOAXFDFEO-CYBMUJFWSA-N 2 2 247.386 2.688 20 0 BFADLP CC(C)[C@H](C[NH3+])C[NH2+]c1ccc2c(c1)CCCN2 ZINC000634994652 345182464 /nfs/dbraw/zinc/18/24/64/345182464.db2.gz JSFDJAOAXFDFEO-CYBMUJFWSA-N 2 2 247.386 2.688 20 0 BFADLP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993396 345190772 /nfs/dbraw/zinc/19/07/72/345190772.db2.gz SYMOLPINEHCIIH-LQULJDIASA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H](C)[C@@H]1CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993396 345190774 /nfs/dbraw/zinc/19/07/74/345190774.db2.gz SYMOLPINEHCIIH-LQULJDIASA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993078 345189061 /nfs/dbraw/zinc/18/90/61/345189061.db2.gz KSKDUYIIWYYUHN-LQULJDIASA-N 2 2 236.403 2.639 20 0 BFADLP CCC[C@H]1[C@@H](C)CCC[N@H+]1CC12CC(C1)C[NH2+]2 ZINC000634993078 345189062 /nfs/dbraw/zinc/18/90/62/345189062.db2.gz KSKDUYIIWYYUHN-LQULJDIASA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](C1CCCCC1)[N@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634993837 345191726 /nfs/dbraw/zinc/19/17/26/345191726.db2.gz HWPGRXKHBFDCPP-OPFPJEHXSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H](C1CCCCC1)[N@@H+](C)CC12CC(C1)C[NH2+]2 ZINC000634993837 345191728 /nfs/dbraw/zinc/19/17/28/345191728.db2.gz HWPGRXKHBFDCPP-OPFPJEHXSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1 ZINC000020506302 178839816 /nfs/dbraw/zinc/83/98/16/178839816.db2.gz POJCFVRYPJFFNI-CQSZACIVSA-N 2 2 243.354 2.932 20 0 BFADLP C[N@H+](Cc1cc2ccccc2o1)[C@H](C[NH3+])C1CC1 ZINC000159705237 345489401 /nfs/dbraw/zinc/48/94/01/345489401.db2.gz KZSDEYXNKWSDSR-CQSZACIVSA-N 2 2 244.338 2.602 20 0 BFADLP C[N@@H+](Cc1cc2ccccc2o1)[C@H](C[NH3+])C1CC1 ZINC000159705237 345489404 /nfs/dbraw/zinc/48/94/04/345489404.db2.gz KZSDEYXNKWSDSR-CQSZACIVSA-N 2 2 244.338 2.602 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)C2)CC(C)(C)C1 ZINC000252160904 345553745 /nfs/dbraw/zinc/55/37/45/345553745.db2.gz PVNHFMRVKPOGNE-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)C2)CC(C)(C)C1 ZINC000252160904 345553748 /nfs/dbraw/zinc/55/37/48/345553748.db2.gz PVNHFMRVKPOGNE-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1ccccn1 ZINC000090846948 345576526 /nfs/dbraw/zinc/57/65/26/345576526.db2.gz DASMRFGQCDODLO-ZDUSSCGKSA-N 2 2 241.338 2.678 20 0 BFADLP c1[nH]c(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000093480684 345672398 /nfs/dbraw/zinc/67/23/98/345672398.db2.gz GQQKUUNZIJJZGJ-DGCLKSJQSA-N 2 2 219.332 2.564 20 0 BFADLP c1[nH]c(C[N@H+]2CCC[C@H]3CCCC[C@H]32)c[nH+]1 ZINC000093480684 345672401 /nfs/dbraw/zinc/67/24/01/345672401.db2.gz GQQKUUNZIJJZGJ-DGCLKSJQSA-N 2 2 219.332 2.564 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CCC[N@H+](C)C2)cc1 ZINC000628208262 345785799 /nfs/dbraw/zinc/78/57/99/345785799.db2.gz FVKMMAMTQOXDNO-ZBFHGGJFSA-N 2 2 246.398 2.782 20 0 BFADLP Cc1ccc([C@H](C)C[NH2+][C@H]2CCC[N@@H+](C)C2)cc1 ZINC000628208262 345785800 /nfs/dbraw/zinc/78/58/00/345785800.db2.gz FVKMMAMTQOXDNO-ZBFHGGJFSA-N 2 2 246.398 2.782 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000222060685 535009725 /nfs/dbraw/zinc/00/97/25/535009725.db2.gz MJTMOSUBSQVDHW-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000222060685 535009731 /nfs/dbraw/zinc/00/97/31/535009731.db2.gz MJTMOSUBSQVDHW-HZSPNIEDSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)[C@@H]1CC1(C)C ZINC000397832116 323097613 /nfs/dbraw/zinc/09/76/13/323097613.db2.gz NKGLUCVRWFGBIS-KGLIPLIRSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)C1CCCC1 ZINC000449260607 201852420 /nfs/dbraw/zinc/85/24/20/201852420.db2.gz XECVCGFREKYAMK-ZIAGYGMSSA-N 2 2 247.386 2.756 20 0 BFADLP CCc1cc(NCCCCn2cc[nH+]c2)cc[nH+]1 ZINC000307770168 345951305 /nfs/dbraw/zinc/95/13/05/345951305.db2.gz LWJQDXUPGYITCQ-UHFFFAOYSA-N 2 2 244.342 2.733 20 0 BFADLP Cc1cc(N[C@H](c2[nH]cc[nH+]2)C(C)C)nc(C)[nH+]1 ZINC000285566579 537961746 /nfs/dbraw/zinc/96/17/46/537961746.db2.gz JNIARUJVPWIHNY-LBPRGKRZSA-N 2 2 245.330 2.626 20 0 BFADLP C/C=C/C[C@H]1CCC[N@H+](CCc2c[nH+]cn2C)C1 ZINC000626163839 346275832 /nfs/dbraw/zinc/27/58/32/346275832.db2.gz RGHVSDDLDGKXRS-XGACYXMMSA-N 2 2 247.386 2.641 20 0 BFADLP C/C=C/C[C@H]1CCC[N@@H+](CCc2c[nH+]cn2C)C1 ZINC000626163839 346275835 /nfs/dbraw/zinc/27/58/35/346275835.db2.gz RGHVSDDLDGKXRS-XGACYXMMSA-N 2 2 247.386 2.641 20 0 BFADLP CC[C@H]1CCCC[C@@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000628285922 346297542 /nfs/dbraw/zinc/29/75/42/346297542.db2.gz MXXUKUNXFQWHSO-UONOGXRCSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@H]1CCCC[C@@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000628285922 346297544 /nfs/dbraw/zinc/29/75/44/346297544.db2.gz MXXUKUNXFQWHSO-UONOGXRCSA-N 2 2 247.386 2.915 20 0 BFADLP CC[C@H]1CCCC[C@@H]1C[NH2+][C@@H](C)C[NH+](C)C ZINC000628276717 346286905 /nfs/dbraw/zinc/28/69/05/346286905.db2.gz MHOVHCGGYVHCJF-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000355030448 179049977 /nfs/dbraw/zinc/04/99/77/179049977.db2.gz DBVRQLJMZGCWPR-KKUMJFAQSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000355030448 179049980 /nfs/dbraw/zinc/04/99/80/179049980.db2.gz DBVRQLJMZGCWPR-KKUMJFAQSA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000354654048 179049123 /nfs/dbraw/zinc/04/91/23/179049123.db2.gz OFWUDEWLEYQNSU-LBPRGKRZSA-N 2 2 229.327 2.877 20 0 BFADLP CCC[C@H]([NH2+]CC[NH+](C)C)C1CCCCC1 ZINC000381575372 346377282 /nfs/dbraw/zinc/37/72/82/346377282.db2.gz ZNNQKPYPWNIJNS-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000044687878 179101042 /nfs/dbraw/zinc/10/10/42/179101042.db2.gz PEJLFTYMJUYLTB-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CC[N@H+](C3CC3)C2)c1C ZINC000044687878 179101045 /nfs/dbraw/zinc/10/10/45/179101045.db2.gz PEJLFTYMJUYLTB-HNNXBMFYSA-N 2 2 244.382 2.630 20 0 BFADLP CC[C@@H](C[NH2+][C@H]1CCCC12CC2)[NH+]1CCCC1 ZINC000580097706 346522738 /nfs/dbraw/zinc/52/27/38/346522738.db2.gz XABBPNYNUIKKAB-KBPBESRZSA-N 2 2 236.403 2.783 20 0 BFADLP CC[C@H](C[NH2+][C@@H]1CCCC12CC2)[NH+]1CCCC1 ZINC000580097709 346522758 /nfs/dbraw/zinc/52/27/58/346522758.db2.gz XABBPNYNUIKKAB-ZIAGYGMSSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1[C@@H](C)C[C@@H]1C ZINC000580127319 346544218 /nfs/dbraw/zinc/54/42/18/346544218.db2.gz GOBXZZBEQZXKJJ-STQMWFEESA-N 2 2 218.344 2.805 20 0 BFADLP CC[C@@H]([NH2+]C[C@H]1CCCn2cc(C)[nH+]c21)C1CC1 ZINC000361652426 346648956 /nfs/dbraw/zinc/64/89/56/346648956.db2.gz FWMJZJMGLNGDJG-ZIAGYGMSSA-N 2 2 247.386 2.847 20 0 BFADLP Cc1cccc(NCCc2[nH+]cccc2C)[nH+]1 ZINC000295730086 179145990 /nfs/dbraw/zinc/14/59/90/179145990.db2.gz LVXWTLLKCHFOQK-UHFFFAOYSA-N 2 2 227.311 2.748 20 0 BFADLP [NH3+][C@]12CCC[C@H]1C[N@H+](C/C=C\c1ccccc1)C2 ZINC000622005017 370655698 /nfs/dbraw/zinc/65/56/98/370655698.db2.gz XWQRBYYPYRCUMT-QBGJIXDNSA-N 2 2 242.366 2.513 20 0 BFADLP [NH3+][C@]12CCC[C@H]1C[N@@H+](C/C=C\c1ccccc1)C2 ZINC000622005017 370655701 /nfs/dbraw/zinc/65/57/01/370655701.db2.gz XWQRBYYPYRCUMT-QBGJIXDNSA-N 2 2 242.366 2.513 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1C[NH2+]C1(C2CC2)CC1 ZINC000582043855 347125032 /nfs/dbraw/zinc/12/50/32/347125032.db2.gz NEDYREIXUSFBCN-AWEZNQCLSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1C[NH2+]C1(C2CC2)CC1 ZINC000582043855 347125035 /nfs/dbraw/zinc/12/50/35/347125035.db2.gz NEDYREIXUSFBCN-AWEZNQCLSA-N 2 2 236.403 2.782 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@H+](C)C[C@@H]2C)c1C ZINC000358372608 179197626 /nfs/dbraw/zinc/19/76/26/179197626.db2.gz BZIVDIDZVRNMOT-NOLJZWGESA-N 2 2 246.398 2.904 20 0 BFADLP Cc1cccc([C@H](C)[NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)c1C ZINC000358372608 179197628 /nfs/dbraw/zinc/19/76/28/179197628.db2.gz BZIVDIDZVRNMOT-NOLJZWGESA-N 2 2 246.398 2.904 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000319493407 259396236 /nfs/dbraw/zinc/39/62/36/259396236.db2.gz HWDJMGBHDUOIQA-XEZPLFJOSA-N 2 2 246.398 2.898 20 0 BFADLP Cc1ccccc1C1CC([NH2+]C[C@@H](C)[NH+](C)C)C1 ZINC000038087779 179256711 /nfs/dbraw/zinc/25/67/11/179256711.db2.gz RWYQGKSREMBMAF-WLYUNCDWSA-N 2 2 246.398 2.781 20 0 BFADLP c1cn([C@@H]2CCC[N@@H+](CC3CCCC3)C2)c[nH+]1 ZINC000591868695 347708196 /nfs/dbraw/zinc/70/81/96/347708196.db2.gz AZWSIASGJPZFMO-CQSZACIVSA-N 2 2 233.359 2.710 20 0 BFADLP c1cn([C@@H]2CCC[N@H+](CC3CCCC3)C2)c[nH+]1 ZINC000591868695 347708198 /nfs/dbraw/zinc/70/81/98/347708198.db2.gz AZWSIASGJPZFMO-CQSZACIVSA-N 2 2 233.359 2.710 20 0 BFADLP CC[C@H]1CCCC[C@@H]1C[NH2+]C[C@H](C)[NH+](C)C ZINC000628300019 347807983 /nfs/dbraw/zinc/80/79/83/347807983.db2.gz KXJNMBVPUKCPTO-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044684648 179323473 /nfs/dbraw/zinc/32/34/73/179323473.db2.gz JMWXAYIEBVSJGE-KGLIPLIRSA-N 2 2 244.382 2.882 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044684648 179323475 /nfs/dbraw/zinc/32/34/75/179323475.db2.gz JMWXAYIEBVSJGE-KGLIPLIRSA-N 2 2 244.382 2.882 20 0 BFADLP CC1=C[C@@H](C)C[C@@H](C[NH2+]C[C@H](C)[NH+](C)C)C1 ZINC000449558000 201962451 /nfs/dbraw/zinc/96/24/51/201962451.db2.gz UJUFDEQAAQAIAA-KWCYVHTRSA-N 2 2 224.392 2.519 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1sccc1Cl ZINC000308903214 323180977 /nfs/dbraw/zinc/18/09/77/323180977.db2.gz UUIINXPMUYYBEB-IUCAKERBSA-N 2 2 244.791 2.713 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1sccc1Cl ZINC000308903214 323180978 /nfs/dbraw/zinc/18/09/78/323180978.db2.gz UUIINXPMUYYBEB-IUCAKERBSA-N 2 2 244.791 2.713 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)C1CCC(C)CC1 ZINC000042488238 187394812 /nfs/dbraw/zinc/39/48/12/187394812.db2.gz CLDYQOSRHXKIDO-MOKVOYLWSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)C1CCC(C)CC1 ZINC000042488238 187394813 /nfs/dbraw/zinc/39/48/13/187394813.db2.gz CLDYQOSRHXKIDO-MOKVOYLWSA-N 2 2 226.408 2.870 20 0 BFADLP Nc1cc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000216335217 349995148 /nfs/dbraw/zinc/99/51/48/349995148.db2.gz CTUBTFOQMVKOIB-ZIAGYGMSSA-N 2 2 245.370 2.818 20 0 BFADLP Nc1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000216335217 349995153 /nfs/dbraw/zinc/99/51/53/349995153.db2.gz CTUBTFOQMVKOIB-ZIAGYGMSSA-N 2 2 245.370 2.818 20 0 BFADLP CC[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1cccs1 ZINC000054765229 348601741 /nfs/dbraw/zinc/60/17/41/348601741.db2.gz CJDOTMDQKWPQKM-SNVBAGLBSA-N 2 2 221.329 2.712 20 0 BFADLP CC[NH+]1CC[C@H]([N@@H+](C)C/C=C(/C)Cl)C[C@@H]1C ZINC000528391568 323196675 /nfs/dbraw/zinc/19/66/75/323196675.db2.gz AANFZIHJWZNZCZ-ISGXEFFDSA-N 2 2 244.810 2.934 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](CC(C)C)[NH+](C)C)C(C)C ZINC000037240780 323197059 /nfs/dbraw/zinc/19/70/59/323197059.db2.gz UZNNGJLDVBSDMU-UONOGXRCSA-N 2 2 228.424 2.987 20 0 BFADLP CC1(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000432822007 192372464 /nfs/dbraw/zinc/37/24/64/192372464.db2.gz LDCFZKPYQCRNON-AWEZNQCLSA-N 2 2 246.354 2.725 20 0 BFADLP CC1(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)CCC1 ZINC000432822007 192372467 /nfs/dbraw/zinc/37/24/67/192372467.db2.gz LDCFZKPYQCRNON-AWEZNQCLSA-N 2 2 246.354 2.725 20 0 BFADLP Clc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)s1 ZINC000070600438 490224650 /nfs/dbraw/zinc/22/46/50/490224650.db2.gz CXBOXEFJGQIYLQ-SECBINFHSA-N 2 2 244.791 2.633 20 0 BFADLP C[NH+](C)CC[NH2+]C1CCC2(CCCC2)CC1 ZINC000161358226 349423062 /nfs/dbraw/zinc/42/30/62/349423062.db2.gz ZMQWYGPYKCGEGG-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C[N@@H+]1C1CC1 ZINC000132725277 191034923 /nfs/dbraw/zinc/03/49/23/191034923.db2.gz WHVAYQZQXGBUNY-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C[N@H+]1C1CC1 ZINC000132725277 191034926 /nfs/dbraw/zinc/03/49/26/191034926.db2.gz WHVAYQZQXGBUNY-NWDGAFQWSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000304443909 490361223 /nfs/dbraw/zinc/36/12/23/490361223.db2.gz VWYPRYFDRXSGTG-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000304443909 490361230 /nfs/dbraw/zinc/36/12/30/490361230.db2.gz VWYPRYFDRXSGTG-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCCC1 ZINC000083390780 350194256 /nfs/dbraw/zinc/19/42/56/350194256.db2.gz MQNVKAGOGVTUDT-UONOGXRCSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+]C1CCCCC1 ZINC000037166963 191069089 /nfs/dbraw/zinc/06/90/89/191069089.db2.gz IFQKPKPWVWNQHV-AWEZNQCLSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000336322551 180253126 /nfs/dbraw/zinc/25/31/26/180253126.db2.gz DBKICVXGPBEDGF-KBPBESRZSA-N 2 2 247.386 2.702 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000336322551 180253128 /nfs/dbraw/zinc/25/31/28/180253128.db2.gz DBKICVXGPBEDGF-KBPBESRZSA-N 2 2 247.386 2.702 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC000427877796 191098046 /nfs/dbraw/zinc/09/80/46/191098046.db2.gz OZYDFYBNEIHQSN-MQYQWHSLSA-N 2 2 247.386 2.612 20 0 BFADLP C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)[C@@H]1C ZINC000427877801 191098173 /nfs/dbraw/zinc/09/81/73/191098173.db2.gz OZYDFYBNEIHQSN-SYQHCUMBSA-N 2 2 247.386 2.612 20 0 BFADLP C[C@@H]1CCC[C@@H](C)C1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427877911 191098347 /nfs/dbraw/zinc/09/83/47/191098347.db2.gz PLBXFSSUWHKDON-JHJVBQTASA-N 2 2 247.386 2.612 20 0 BFADLP CC(C)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427890638 191099772 /nfs/dbraw/zinc/09/97/72/191099772.db2.gz JMDLOWYMGGKMGD-RDBSUJKOSA-N 2 2 247.386 2.612 20 0 BFADLP CC[C@@H]1CCCCC[N@@H+]1CCn1cc[nH+]c1C ZINC000336718329 350469229 /nfs/dbraw/zinc/46/92/29/350469229.db2.gz ALWLEKQURYFLEO-CQSZACIVSA-N 2 2 235.375 2.846 20 0 BFADLP CC[C@@H]1CCCCC[N@H+]1CCn1cc[nH+]c1C ZINC000336718329 350469233 /nfs/dbraw/zinc/46/92/33/350469233.db2.gz ALWLEKQURYFLEO-CQSZACIVSA-N 2 2 235.375 2.846 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccoc1 ZINC000577482243 365964075 /nfs/dbraw/zinc/96/40/75/365964075.db2.gz VEUUMHYPFVCNDW-BXUZGUMPSA-N 2 2 230.311 2.630 20 0 BFADLP C[N@H+](C/C=C\c1ccccc1)C1(C[NH3+])CCC1 ZINC000385155944 350775568 /nfs/dbraw/zinc/77/55/68/350775568.db2.gz JPDRRWBEBKOMFA-UITAMQMPSA-N 2 2 230.355 2.513 20 0 BFADLP C[N@@H+](C/C=C\c1ccccc1)C1(C[NH3+])CCC1 ZINC000385155944 350775570 /nfs/dbraw/zinc/77/55/70/350775570.db2.gz JPDRRWBEBKOMFA-UITAMQMPSA-N 2 2 230.355 2.513 20 0 BFADLP C[N@H+](C/C=C/c1ccccc1)C1(C[NH3+])CCC1 ZINC000385155945 350775738 /nfs/dbraw/zinc/77/57/38/350775738.db2.gz JPDRRWBEBKOMFA-WEVVVXLNSA-N 2 2 230.355 2.513 20 0 BFADLP C[N@@H+](C/C=C/c1ccccc1)C1(C[NH3+])CCC1 ZINC000385155945 350775739 /nfs/dbraw/zinc/77/57/39/350775739.db2.gz JPDRRWBEBKOMFA-WEVVVXLNSA-N 2 2 230.355 2.513 20 0 BFADLP CC[C@@H]1CCCC[C@H]1C[N@H+](C)CC1C[NH+](C)C1 ZINC000628338249 351281633 /nfs/dbraw/zinc/28/16/33/351281633.db2.gz FMUCYKILWNJELO-CABCVRRESA-N 2 2 238.419 2.696 20 0 BFADLP CC[C@@H]1CCCC[C@H]1C[N@@H+](C)CC1C[NH+](C)C1 ZINC000628338249 351281636 /nfs/dbraw/zinc/28/16/36/351281636.db2.gz FMUCYKILWNJELO-CABCVRRESA-N 2 2 238.419 2.696 20 0 BFADLP C[N@H+](CC[NH2+]CC(C)(C)C)Cc1ccccc1 ZINC000237148786 351340690 /nfs/dbraw/zinc/34/06/90/351340690.db2.gz NIYJFUOTUFOVDU-UHFFFAOYSA-N 2 2 234.387 2.754 20 0 BFADLP C[N@@H+](CC[NH2+]CC(C)(C)C)Cc1ccccc1 ZINC000237148786 351340693 /nfs/dbraw/zinc/34/06/93/351340693.db2.gz NIYJFUOTUFOVDU-UHFFFAOYSA-N 2 2 234.387 2.754 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cnccc1C ZINC000271368354 351413913 /nfs/dbraw/zinc/41/39/13/351413913.db2.gz GISLUZAWOPKNMN-ZIAGYGMSSA-N 2 2 247.386 2.525 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cnccc1C ZINC000271368354 351413918 /nfs/dbraw/zinc/41/39/18/351413918.db2.gz GISLUZAWOPKNMN-ZIAGYGMSSA-N 2 2 247.386 2.525 20 0 BFADLP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(C)ccn2)CC1 ZINC000285534888 352049105 /nfs/dbraw/zinc/04/91/05/352049105.db2.gz FRKPSIBKDMTRLK-ZDUSSCGKSA-N 2 2 247.386 2.525 20 0 BFADLP Cc1ccc[nH+]c1N[C@@H](c1[nH+]ccn1C)C1CC1 ZINC000638382435 352191833 /nfs/dbraw/zinc/19/18/33/352191833.db2.gz WDUQMJDKXDQEHE-GFCCVEGCSA-N 2 2 242.326 2.687 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H](C)C1CCCCC1 ZINC000037320263 358471365 /nfs/dbraw/zinc/47/13/65/358471365.db2.gz ZNIMZOVFPBBTCE-CHWSQXEVSA-N 2 2 235.375 2.830 20 0 BFADLP CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)c1ccc(C)cc1 ZINC000043326418 352637554 /nfs/dbraw/zinc/63/75/54/352637554.db2.gz NJHXGUMKLCWUBQ-LSDHHAIUSA-N 2 2 232.371 2.788 20 0 BFADLP C[C@H](C[NH2+]C1CCC(=C2CCC2)CC1)[NH+](C)C ZINC000638864717 353038322 /nfs/dbraw/zinc/03/83/22/353038322.db2.gz CCIAOEWWYFFTLK-GFCCVEGCSA-N 2 2 236.403 2.949 20 0 BFADLP Cc1ccc(CCC[NH2+]Cc2nccs2)c[nH+]1 ZINC000354182861 188062063 /nfs/dbraw/zinc/06/20/63/188062063.db2.gz TYPNIAVSHUQZNK-UHFFFAOYSA-N 2 2 247.367 2.569 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C)C1(C)CC1)[NH+](C)C ZINC000037468513 188082545 /nfs/dbraw/zinc/08/25/45/188082545.db2.gz JCOBPZKACOUHAK-QWHCGFSZSA-N 2 2 226.408 2.741 20 0 BFADLP CC/C=C/CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000184700362 188168959 /nfs/dbraw/zinc/16/89/59/188168959.db2.gz BGAPBZMOIUIDKE-SNAWJCMRSA-N 2 2 221.348 2.561 20 0 BFADLP CC/C=C/CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000184700362 188168961 /nfs/dbraw/zinc/16/89/61/188168961.db2.gz BGAPBZMOIUIDKE-SNAWJCMRSA-N 2 2 221.348 2.561 20 0 BFADLP CC(C)C[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000343259020 353255436 /nfs/dbraw/zinc/25/54/36/353255436.db2.gz LAHRWUUFMNBKAS-ZDUSSCGKSA-N 2 2 223.364 2.640 20 0 BFADLP CC(C)C[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000343259020 353255438 /nfs/dbraw/zinc/25/54/38/353255438.db2.gz LAHRWUUFMNBKAS-ZDUSSCGKSA-N 2 2 223.364 2.640 20 0 BFADLP CC(C)Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C2)cc1 ZINC000094078084 188223271 /nfs/dbraw/zinc/22/32/71/188223271.db2.gz YBGPSLDLSCWUPV-CZUORRHYSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000343320642 353676723 /nfs/dbraw/zinc/67/67/23/353676723.db2.gz LWWQVKFIPIAIET-ZDUSSCGKSA-N 2 2 221.348 2.538 20 0 BFADLP C[C@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000343320642 353676725 /nfs/dbraw/zinc/67/67/25/353676725.db2.gz LWWQVKFIPIAIET-ZDUSSCGKSA-N 2 2 221.348 2.538 20 0 BFADLP c1cn(CCC[NH+]2CCC3(CCCC3)CC2)c[nH+]1 ZINC000343324863 353707517 /nfs/dbraw/zinc/70/75/17/353707517.db2.gz YHEXURZYXDCURW-UHFFFAOYSA-N 2 2 247.386 2.929 20 0 BFADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccoc1 ZINC000178343981 366116379 /nfs/dbraw/zinc/11/63/79/366116379.db2.gz IUXBFNQYCVHVKV-LBPRGKRZSA-N 2 2 245.326 2.827 20 0 BFADLP CC[N@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000233481625 353822905 /nfs/dbraw/zinc/82/29/05/353822905.db2.gz GDCSQESLJIBQPA-UONOGXRCSA-N 2 2 232.371 2.901 20 0 BFADLP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000233481625 353822906 /nfs/dbraw/zinc/82/29/06/353822906.db2.gz GDCSQESLJIBQPA-UONOGXRCSA-N 2 2 232.371 2.901 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C[C@@H]1C ZINC000343741436 353970332 /nfs/dbraw/zinc/97/03/32/353970332.db2.gz ZMLQPRNKQPRKKY-CAEXGNQWSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C[C@@H]1C ZINC000343741436 353970334 /nfs/dbraw/zinc/97/03/34/353970334.db2.gz ZMLQPRNKQPRKKY-CAEXGNQWSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000344373948 354254784 /nfs/dbraw/zinc/25/47/84/354254784.db2.gz COMORXCLFMBHLD-LXTVHRRPSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000344373948 354254788 /nfs/dbraw/zinc/25/47/88/354254788.db2.gz COMORXCLFMBHLD-LXTVHRRPSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)cc1C ZINC000344328120 354225019 /nfs/dbraw/zinc/22/50/19/354225019.db2.gz QHRXKDKXZVHLNP-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1C ZINC000344328120 354225020 /nfs/dbraw/zinc/22/50/20/354225020.db2.gz QHRXKDKXZVHLNP-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)cc1C ZINC000344328123 354225081 /nfs/dbraw/zinc/22/50/81/354225081.db2.gz QHRXKDKXZVHLNP-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)cc1C ZINC000344328123 354225083 /nfs/dbraw/zinc/22/50/83/354225083.db2.gz QHRXKDKXZVHLNP-ZBFHGGJFSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000344329475 354225847 /nfs/dbraw/zinc/22/58/47/354225847.db2.gz SEWCOGZXGZPRDI-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H]2CCC[N@@H+](C)[C@@H]2C)c1 ZINC000344329475 354225850 /nfs/dbraw/zinc/22/58/50/354225850.db2.gz SEWCOGZXGZPRDI-GDBMZVCRSA-N 2 2 246.398 2.876 20 0 BFADLP Cc1ccccc1C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000344329669 354226519 /nfs/dbraw/zinc/22/65/19/354226519.db2.gz NDQYQDQTUAEVFX-HIFRSBDPSA-N 2 2 232.371 2.567 20 0 BFADLP Cc1ccccc1C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000344329669 354226521 /nfs/dbraw/zinc/22/65/21/354226521.db2.gz NDQYQDQTUAEVFX-HIFRSBDPSA-N 2 2 232.371 2.567 20 0 BFADLP CCc1ccccc1C[NH2+][C@H]1C[N@H+](CC)C[C@@H]1C ZINC000344583697 354310917 /nfs/dbraw/zinc/31/09/17/354310917.db2.gz MVZYVEINJQPMQW-BBRMVZONSA-N 2 2 246.398 2.679 20 0 BFADLP CCc1ccccc1C[NH2+][C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000344583697 354310921 /nfs/dbraw/zinc/31/09/21/354310921.db2.gz MVZYVEINJQPMQW-BBRMVZONSA-N 2 2 246.398 2.679 20 0 BFADLP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000335135657 354784509 /nfs/dbraw/zinc/78/45/09/354784509.db2.gz GZKMHWLWOUOCRQ-LBPRGKRZSA-N 2 2 235.375 2.560 20 0 BFADLP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000335135657 354784512 /nfs/dbraw/zinc/78/45/12/354784512.db2.gz GZKMHWLWOUOCRQ-LBPRGKRZSA-N 2 2 235.375 2.560 20 0 BFADLP CC[C@@]1(C)CCC[N@H+](CCn2cc[nH+]c2C)C1 ZINC000346334957 354899339 /nfs/dbraw/zinc/89/93/39/354899339.db2.gz XOHHXLCQNQQSRR-AWEZNQCLSA-N 2 2 235.375 2.704 20 0 BFADLP CC[C@@]1(C)CCC[N@@H+](CCn2cc[nH+]c2C)C1 ZINC000346334957 354899341 /nfs/dbraw/zinc/89/93/41/354899341.db2.gz XOHHXLCQNQQSRR-AWEZNQCLSA-N 2 2 235.375 2.704 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@H+](C)[C@@H]2C)C[C@@H](C)C1 ZINC000346336651 354899834 /nfs/dbraw/zinc/89/98/34/354899834.db2.gz SJYZRDTZNJPMJQ-SEBNEYGDSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H]1C[C@H]([NH2+][C@H]2CCC[N@@H+](C)[C@@H]2C)C[C@@H](C)C1 ZINC000346336651 354899837 /nfs/dbraw/zinc/89/98/37/354899837.db2.gz SJYZRDTZNJPMJQ-SEBNEYGDSA-N 2 2 238.419 2.883 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000346744996 355090860 /nfs/dbraw/zinc/09/08/60/355090860.db2.gz XFKKUBUNVGEICN-UKRRQHHQSA-N 2 2 244.382 2.606 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]C2(c3ccccc3)CC2)C1 ZINC000346744996 355090862 /nfs/dbraw/zinc/09/08/62/355090862.db2.gz XFKKUBUNVGEICN-UKRRQHHQSA-N 2 2 244.382 2.606 20 0 BFADLP CC[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000040502464 358493894 /nfs/dbraw/zinc/49/38/94/358493894.db2.gz LTNPCCXCYHEEKK-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@H+]1CCC[C@@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000040502464 358493895 /nfs/dbraw/zinc/49/38/95/358493895.db2.gz LTNPCCXCYHEEKK-GDBMZVCRSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@@H+]1CCC[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000040502463 358494305 /nfs/dbraw/zinc/49/43/05/358494305.db2.gz LTNPCCXCYHEEKK-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@H+]1CCC[C@H]([NH2+]C[C@@H](C)c2ccccc2)C1 ZINC000040502463 358494308 /nfs/dbraw/zinc/49/43/08/358494308.db2.gz LTNPCCXCYHEEKK-ZBFHGGJFSA-N 2 2 246.398 2.864 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]CC[NH+]1CCCC1 ZINC000166443261 355462358 /nfs/dbraw/zinc/46/23/58/355462358.db2.gz ZIJSJGQRSPKMPA-AWEZNQCLSA-N 2 2 224.392 2.807 20 0 BFADLP CCc1cc[nH+]cc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000639297099 355601629 /nfs/dbraw/zinc/60/16/29/355601629.db2.gz ZDRIEACORMSXDF-YPMHNXCESA-N 2 2 233.359 2.539 20 0 BFADLP CCc1cc[nH+]cc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639297099 355601633 /nfs/dbraw/zinc/60/16/33/355601633.db2.gz ZDRIEACORMSXDF-YPMHNXCESA-N 2 2 233.359 2.539 20 0 BFADLP Cc1cccn2c(C[NH2+][C@H]3[C@@H]4CCC[C@@H]43)c[nH+]c12 ZINC000583576621 355658426 /nfs/dbraw/zinc/65/84/26/355658426.db2.gz XIIJFBHNRDUQBF-WDNDVIMCSA-N 2 2 241.338 2.531 20 0 BFADLP C[C@@H](C[N@H+](C)CC1C[NH+](C)C1)C1CCCCC1 ZINC000639309295 355664688 /nfs/dbraw/zinc/66/46/88/355664688.db2.gz JICQZZAHNPNKIG-ZDUSSCGKSA-N 2 2 238.419 2.696 20 0 BFADLP C[C@@H](C[N@@H+](C)CC1C[NH+](C)C1)C1CCCCC1 ZINC000639309295 355664690 /nfs/dbraw/zinc/66/46/90/355664690.db2.gz JICQZZAHNPNKIG-ZDUSSCGKSA-N 2 2 238.419 2.696 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000389126926 355710708 /nfs/dbraw/zinc/71/07/08/355710708.db2.gz DGWOMCARDRJMBY-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3ccc(C)cc32)C1 ZINC000389126926 355710710 /nfs/dbraw/zinc/71/07/10/355710710.db2.gz DGWOMCARDRJMBY-ZBFHGGJFSA-N 2 2 244.382 2.666 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000166673263 355746987 /nfs/dbraw/zinc/74/69/87/355746987.db2.gz QBNIDXFXWFWTPA-SNVBAGLBSA-N 2 2 240.313 2.649 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)CCCC(F)(F)F ZINC000166673263 355746990 /nfs/dbraw/zinc/74/69/90/355746990.db2.gz QBNIDXFXWFWTPA-SNVBAGLBSA-N 2 2 240.313 2.649 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000353247792 355756948 /nfs/dbraw/zinc/75/69/48/355756948.db2.gz KOABMYWTGOPZMJ-UPJWGTAASA-N 2 2 247.386 2.825 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000353247792 355756949 /nfs/dbraw/zinc/75/69/49/355756949.db2.gz KOABMYWTGOPZMJ-UPJWGTAASA-N 2 2 247.386 2.825 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000389141072 355730634 /nfs/dbraw/zinc/73/06/34/355730634.db2.gz HCMALUUITQOLLE-OAHLLOKOSA-N 2 2 246.398 2.796 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000389141072 355730636 /nfs/dbraw/zinc/73/06/36/355730636.db2.gz HCMALUUITQOLLE-OAHLLOKOSA-N 2 2 246.398 2.796 20 0 BFADLP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000639351830 355800643 /nfs/dbraw/zinc/80/06/43/355800643.db2.gz KTOVTJYHOQISSF-HLPPOEQASA-N 2 2 248.414 2.639 20 0 BFADLP C([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000639351830 355800646 /nfs/dbraw/zinc/80/06/46/355800646.db2.gz KTOVTJYHOQISSF-HLPPOEQASA-N 2 2 248.414 2.639 20 0 BFADLP c1[nH+]c2c(n1[C@H]1CC[N@@H+]3CCC[C@H]3C1)CCCC2 ZINC000628371550 355894883 /nfs/dbraw/zinc/89/48/83/355894883.db2.gz NAAPKOSRYABHPB-STQMWFEESA-N 2 2 245.370 2.561 20 0 BFADLP c1[nH+]c2c(n1[C@H]1CC[N@H+]3CCC[C@H]3C1)CCCC2 ZINC000628371550 355894886 /nfs/dbraw/zinc/89/48/86/355894886.db2.gz NAAPKOSRYABHPB-STQMWFEESA-N 2 2 245.370 2.561 20 0 BFADLP c1[nH+]c2c(n1[C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCCC2 ZINC000628371548 355895140 /nfs/dbraw/zinc/89/51/40/355895140.db2.gz NAAPKOSRYABHPB-OLZOCXBDSA-N 2 2 245.370 2.561 20 0 BFADLP c1[nH+]c2c(n1[C@H]1CC[N@H+]3CCC[C@@H]3C1)CCCC2 ZINC000628371548 355895146 /nfs/dbraw/zinc/89/51/46/355895146.db2.gz NAAPKOSRYABHPB-OLZOCXBDSA-N 2 2 245.370 2.561 20 0 BFADLP Cc1ccc(CCC[NH2+]Cc2cccnc2)c[nH+]1 ZINC000351497189 356002871 /nfs/dbraw/zinc/00/28/71/356002871.db2.gz ZPSOIPUQKDZSOG-UHFFFAOYSA-N 2 2 241.338 2.507 20 0 BFADLP CC1(C)C[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000639403705 356199124 /nfs/dbraw/zinc/19/91/24/356199124.db2.gz HZJSMPGDCFJZTK-UHFFFAOYSA-N 2 2 241.338 2.714 20 0 BFADLP CO[C@@H]1CCC[N@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639473740 356266815 /nfs/dbraw/zinc/26/68/15/356266815.db2.gz MAQZRSDBCNNTCO-CQSZACIVSA-N 2 2 248.370 2.618 20 0 BFADLP CO[C@@H]1CCC[N@@H+](Cc2c(C)cc(C)[nH+]c2C)C1 ZINC000639473740 356266817 /nfs/dbraw/zinc/26/68/17/356266817.db2.gz MAQZRSDBCNNTCO-CQSZACIVSA-N 2 2 248.370 2.618 20 0 BFADLP CC[N@@H+](Cc1ccc(Cl)cc1)C[C@@H](C)[NH3+] ZINC000420295840 192205064 /nfs/dbraw/zinc/20/50/64/192205064.db2.gz AXTYUPISBBTEAU-SNVBAGLBSA-N 2 2 226.751 2.509 20 0 BFADLP CC[N@H+](Cc1ccc(Cl)cc1)C[C@@H](C)[NH3+] ZINC000420295840 192205067 /nfs/dbraw/zinc/20/50/67/192205067.db2.gz AXTYUPISBBTEAU-SNVBAGLBSA-N 2 2 226.751 2.509 20 0 BFADLP CC(C)CC[C@H]1CCCC[N@@H+]1C[C@H](C)[NH3+] ZINC000420297817 192205780 /nfs/dbraw/zinc/20/57/80/192205780.db2.gz GGQQPWWGLLSYGR-QWHCGFSZSA-N 2 2 212.381 2.624 20 0 BFADLP CC(C)CC[C@H]1CCCC[N@H+]1C[C@H](C)[NH3+] ZINC000420297817 192205781 /nfs/dbraw/zinc/20/57/81/192205781.db2.gz GGQQPWWGLLSYGR-QWHCGFSZSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[N@H+](C[C@@H](C)[NH3+])[C@H]1CCc2ccccc2C1 ZINC000420316570 192213287 /nfs/dbraw/zinc/21/32/87/192213287.db2.gz MNXIXIPPPJKBOZ-CJNGLKHVSA-N 2 2 246.398 2.603 20 0 BFADLP CCC[N@@H+](C[C@@H](C)[NH3+])[C@H]1CCc2ccccc2C1 ZINC000420316570 192213289 /nfs/dbraw/zinc/21/32/89/192213289.db2.gz MNXIXIPPPJKBOZ-CJNGLKHVSA-N 2 2 246.398 2.603 20 0 BFADLP CCC[N@H+](Cc1cccc(CC)c1)[C@H]1CC[NH2+]C1 ZINC000420302550 192207875 /nfs/dbraw/zinc/20/78/75/192207875.db2.gz WJMPIYWYQKKHQJ-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCC[N@@H+](Cc1cccc(CC)c1)[C@H]1CC[NH2+]C1 ZINC000420302550 192207877 /nfs/dbraw/zinc/20/78/77/192207877.db2.gz WJMPIYWYQKKHQJ-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000420306651 192209252 /nfs/dbraw/zinc/20/92/52/192209252.db2.gz QTQIMZZLIGOENO-CQSZACIVSA-N 2 2 246.398 2.821 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000420306651 192209254 /nfs/dbraw/zinc/20/92/54/192209254.db2.gz QTQIMZZLIGOENO-CQSZACIVSA-N 2 2 246.398 2.821 20 0 BFADLP CCc1cccc(C[N@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000420313209 192212217 /nfs/dbraw/zinc/21/22/17/192212217.db2.gz ITJBMDKRDIZERZ-INIZCTEOSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1cccc(C[N@@H+](C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000420313209 192212218 /nfs/dbraw/zinc/21/22/18/192212218.db2.gz ITJBMDKRDIZERZ-INIZCTEOSA-N 2 2 244.382 2.575 20 0 BFADLP C[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000420408097 192239869 /nfs/dbraw/zinc/23/98/69/192239869.db2.gz OXCWIKOJUJKGAJ-SECBINFHSA-N 2 2 244.741 2.739 20 0 BFADLP CCC1(CC)CCC[N@H+](C[C@H](C)[NH3+])CC1 ZINC000420376630 192232176 /nfs/dbraw/zinc/23/21/76/192232176.db2.gz QVRLHFFXCQPVAL-LBPRGKRZSA-N 2 2 212.381 2.626 20 0 BFADLP CCC1(CC)CCC[N@@H+](C[C@H](C)[NH3+])CC1 ZINC000420376630 192232178 /nfs/dbraw/zinc/23/21/78/192232178.db2.gz QVRLHFFXCQPVAL-LBPRGKRZSA-N 2 2 212.381 2.626 20 0 BFADLP CCc1ccccc1C[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420372751 192232274 /nfs/dbraw/zinc/23/22/74/192232274.db2.gz QOEIVKIRVYAOPP-WOSRLPQWSA-N 2 2 246.398 2.725 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[NH2+]CC1 ZINC000022099151 356562271 /nfs/dbraw/zinc/56/22/71/356562271.db2.gz FZOPOZIUIAIYKH-AWEZNQCLSA-N 2 2 236.334 2.572 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[NH2+]CC1 ZINC000022099151 356562273 /nfs/dbraw/zinc/56/22/73/356562273.db2.gz FZOPOZIUIAIYKH-AWEZNQCLSA-N 2 2 236.334 2.572 20 0 BFADLP C[C@@H](C[NH2+]C1CC2(C1)CCCCC2)[NH+](C)C ZINC000421346173 192320013 /nfs/dbraw/zinc/32/00/13/192320013.db2.gz YLAWNWLYUCLUCU-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]C1(c2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000422946363 192513133 /nfs/dbraw/zinc/51/31/33/192513133.db2.gz WMYADSUMIWIHBC-HIFRSBDPSA-N 2 2 244.382 2.796 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000342690526 535325713 /nfs/dbraw/zinc/32/57/13/535325713.db2.gz RVPADTYFLBVASY-HUUCEWRRSA-N 2 2 238.419 2.983 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000342690526 535325721 /nfs/dbraw/zinc/32/57/21/535325721.db2.gz RVPADTYFLBVASY-HUUCEWRRSA-N 2 2 238.419 2.983 20 0 BFADLP Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](F)C2)c[nH+]1 ZINC000582234269 356637126 /nfs/dbraw/zinc/63/71/26/356637126.db2.gz ZLGNSKPQJNXPMO-KGLIPLIRSA-N 2 2 236.334 2.803 20 0 BFADLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000542472445 325029873 /nfs/dbraw/zinc/02/98/73/325029873.db2.gz KKZUUCVDNQIGRA-QPSCCSFWSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H]1CC[N@@H+](CC[NH2+][C@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000542472445 325029877 /nfs/dbraw/zinc/02/98/77/325029877.db2.gz KKZUUCVDNQIGRA-QPSCCSFWSA-N 2 2 238.419 2.743 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000353596750 356714606 /nfs/dbraw/zinc/71/46/06/356714606.db2.gz OMFQXEDCGDYCOF-RYUDHWBXSA-N 2 2 235.375 2.825 20 0 BFADLP CCCC[C@H](CC)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000353596750 356714609 /nfs/dbraw/zinc/71/46/09/356714609.db2.gz OMFQXEDCGDYCOF-RYUDHWBXSA-N 2 2 235.375 2.825 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]C[C@H](C)[N@H+](C)C1CC1 ZINC000167360841 538677033 /nfs/dbraw/zinc/67/70/33/538677033.db2.gz XMPQEQCURMZFDE-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H](CC1CCC1)[NH2+]C[C@H](C)[N@@H+](C)C1CC1 ZINC000167360841 538677040 /nfs/dbraw/zinc/67/70/40/538677040.db2.gz XMPQEQCURMZFDE-NEPJUHHUSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC000639859542 356866335 /nfs/dbraw/zinc/86/63/35/356866335.db2.gz GIZJRPDQZOXLAY-KBPBESRZSA-N 2 2 230.355 2.849 20 0 BFADLP Cc1cc(C)c(C[N@H+]2CC[C@H]3C[C@H]3C2)c(C)[nH+]1 ZINC000639859542 356866340 /nfs/dbraw/zinc/86/63/40/356866340.db2.gz GIZJRPDQZOXLAY-KBPBESRZSA-N 2 2 230.355 2.849 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000155857619 538735093 /nfs/dbraw/zinc/73/50/93/538735093.db2.gz SJNYXHYZVJGHRG-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000155857619 538735097 /nfs/dbraw/zinc/73/50/97/538735097.db2.gz SJNYXHYZVJGHRG-KBPBESRZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccco1 ZINC000423186193 192615997 /nfs/dbraw/zinc/61/59/97/192615997.db2.gz WPOCMWMMWTVJEH-LLVKDONJSA-N 2 2 222.332 2.592 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000389517900 356901632 /nfs/dbraw/zinc/90/16/32/356901632.db2.gz GKQMGRHDXNTSIM-HWOWSKLDSA-N 2 2 244.382 2.616 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+]C2CC(c3ccccc3)C2)C1 ZINC000389517900 356901633 /nfs/dbraw/zinc/90/16/33/356901633.db2.gz GKQMGRHDXNTSIM-HWOWSKLDSA-N 2 2 244.382 2.616 20 0 BFADLP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CCC2 ZINC000423232156 192642609 /nfs/dbraw/zinc/64/26/09/192642609.db2.gz HQASPQBTHGAINA-DZGCQCFKSA-N 2 2 248.345 2.545 20 0 BFADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C(C)(C)C ZINC000390525969 357100913 /nfs/dbraw/zinc/10/09/13/357100913.db2.gz GVBGBUJQPMKYEQ-GFCCVEGCSA-N 2 2 223.364 2.688 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2CC3CC2(C)C3)c(C)[nH+]1 ZINC000639880472 357117220 /nfs/dbraw/zinc/11/72/20/357117220.db2.gz WBHCNYFTOODOPK-UHFFFAOYSA-N 2 2 230.355 2.991 20 0 BFADLP Cc1cc(C)c(C[N@H+]2CC3CC2(C)C3)c(C)[nH+]1 ZINC000639880472 357117222 /nfs/dbraw/zinc/11/72/22/357117222.db2.gz WBHCNYFTOODOPK-UHFFFAOYSA-N 2 2 230.355 2.991 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000122637744 357186928 /nfs/dbraw/zinc/18/69/28/357186928.db2.gz UHESTDMLKCLFTH-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000122637744 357186930 /nfs/dbraw/zinc/18/69/30/357186930.db2.gz UHESTDMLKCLFTH-LSDHHAIUSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000122637996 357187179 /nfs/dbraw/zinc/18/71/79/357187179.db2.gz UHESTDMLKCLFTH-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000122637996 357187185 /nfs/dbraw/zinc/18/71/85/357187185.db2.gz UHESTDMLKCLFTH-GJZGRUSLSA-N 2 2 236.403 2.807 20 0 BFADLP CC(C)C(C[NH2+]C1(C[NH+](C)C)CCC1)C(C)C ZINC000393514812 357286450 /nfs/dbraw/zinc/28/64/50/357286450.db2.gz BCVXVUOBGFVFKE-UHFFFAOYSA-N 2 2 240.435 2.989 20 0 BFADLP Cc1ccc(COc2ccccc2C[NH3+])c(C)[nH+]1 ZINC000582720358 357370454 /nfs/dbraw/zinc/37/04/54/357370454.db2.gz KRPSYGMNLCJOKC-UHFFFAOYSA-N 2 2 242.322 2.736 20 0 BFADLP CC[C@@]1(C(C)C)C[C@@H]1[NH2+]Cc1c[nH+]c(C)n1C ZINC000582497659 357327516 /nfs/dbraw/zinc/32/75/16/357327516.db2.gz AICRWVKHQIPQKM-KBPBESRZSA-N 2 2 235.375 2.643 20 0 BFADLP Cc1cccc2c1cc[nH+]c2NCC[NH+](C)C ZINC000582662910 357357165 /nfs/dbraw/zinc/35/71/65/357357165.db2.gz NPNRHKILLUXQQO-UHFFFAOYSA-N 2 2 229.327 2.517 20 0 BFADLP CC(C)[C@@H](C)[NH2+][C@H](C)C[NH+]1CCC(C)CC1 ZINC000582676623 357363952 /nfs/dbraw/zinc/36/39/52/357363952.db2.gz HQEHYZAGWVXPPJ-ZIAGYGMSSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000583155222 357497546 /nfs/dbraw/zinc/49/75/46/357497546.db2.gz SLZFBNJQWVBKSA-LXTVHRRPSA-N 2 2 238.419 2.741 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000230394448 357533348 /nfs/dbraw/zinc/53/33/48/357533348.db2.gz JDZCZOODYLMKAZ-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CCC(C)(C)C1)C1CC1 ZINC000230394448 357533351 /nfs/dbraw/zinc/53/33/51/357533351.db2.gz JDZCZOODYLMKAZ-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CCC12CCCC2 ZINC000189054798 357601545 /nfs/dbraw/zinc/60/15/45/357601545.db2.gz AZQVCOJFMZMLRB-AWEZNQCLSA-N 2 2 236.403 2.785 20 0 BFADLP CC[N@H+](C)CC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000233438440 357723986 /nfs/dbraw/zinc/72/39/86/357723986.db2.gz RZEUNWKDIZRJBG-OCCSQVGLSA-N 2 2 224.392 2.520 20 0 BFADLP CC[N@@H+](C)CC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000233438440 357723989 /nfs/dbraw/zinc/72/39/89/357723989.db2.gz RZEUNWKDIZRJBG-OCCSQVGLSA-N 2 2 224.392 2.520 20 0 BFADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)C1CC1 ZINC000191942243 357806538 /nfs/dbraw/zinc/80/65/38/357806538.db2.gz UZUBXHFNGZEREU-UHFFFAOYSA-N 2 2 241.338 2.775 20 0 BFADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)C1CC1 ZINC000191942243 357806541 /nfs/dbraw/zinc/80/65/41/357806541.db2.gz UZUBXHFNGZEREU-UHFFFAOYSA-N 2 2 241.338 2.775 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC000169236039 134249897 /nfs/dbraw/zinc/24/98/97/134249897.db2.gz OCRBFTDOSKSQJJ-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1CC1CCCCCC1 ZINC000169236039 134249898 /nfs/dbraw/zinc/24/98/98/134249898.db2.gz OCRBFTDOSKSQJJ-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@H](C[NH2+]CC[N@H+](C)CC)c1ccccc1 ZINC000218096291 134251674 /nfs/dbraw/zinc/25/16/74/134251674.db2.gz AFDSXYUMESDRLC-CQSZACIVSA-N 2 2 234.387 2.722 20 0 BFADLP CC[C@H](C[NH2+]CC[N@@H+](C)CC)c1ccccc1 ZINC000218096291 134251675 /nfs/dbraw/zinc/25/16/75/134251675.db2.gz AFDSXYUMESDRLC-CQSZACIVSA-N 2 2 234.387 2.722 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000134645498 325369896 /nfs/dbraw/zinc/36/98/96/325369896.db2.gz MSQULFSZUMJIAX-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000134645498 325369899 /nfs/dbraw/zinc/36/98/99/325369899.db2.gz MSQULFSZUMJIAX-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000218925889 134268989 /nfs/dbraw/zinc/26/89/89/134268989.db2.gz YVUZCIUHEVVVAO-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+]C[C@H]1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000218925889 134268990 /nfs/dbraw/zinc/26/89/90/134268990.db2.gz YVUZCIUHEVVVAO-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1C ZINC000042209294 358519427 /nfs/dbraw/zinc/51/94/27/358519427.db2.gz JKKHZZDKJXSAEQ-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(C)ccc1C ZINC000042209294 358519436 /nfs/dbraw/zinc/51/94/36/358519436.db2.gz JKKHZZDKJXSAEQ-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000044685047 358552065 /nfs/dbraw/zinc/55/20/65/358552065.db2.gz QNCDZCCAJUJKTR-STQMWFEESA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000044685047 358552066 /nfs/dbraw/zinc/55/20/66/358552066.db2.gz QNCDZCCAJUJKTR-STQMWFEESA-N 2 2 224.392 2.637 20 0 BFADLP CC[N@@H+](Cc1cccs1)C[C@H]([NH3+])CC(C)C ZINC000042488281 358524189 /nfs/dbraw/zinc/52/41/89/358524189.db2.gz VPVHJBXOFCOLSF-GFCCVEGCSA-N 2 2 240.416 2.943 20 0 BFADLP CC[N@H+](Cc1cccs1)C[C@H]([NH3+])CC(C)C ZINC000042488281 358524193 /nfs/dbraw/zinc/52/41/93/358524193.db2.gz VPVHJBXOFCOLSF-GFCCVEGCSA-N 2 2 240.416 2.943 20 0 BFADLP CCC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043326485 358536885 /nfs/dbraw/zinc/53/68/85/358536885.db2.gz LKXNEHAALNKGNA-CABCVRRESA-N 2 2 232.371 2.869 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH+](C)C)c1ccccc1 ZINC000130163741 358611864 /nfs/dbraw/zinc/61/18/64/358611864.db2.gz SFRMBODFTMGUFQ-OCCSQVGLSA-N 2 2 220.360 2.677 20 0 BFADLP C[C@H]([NH2+]CCc1cn2ccccc2[nH+]1)C1(C)CC1 ZINC000130661153 358638779 /nfs/dbraw/zinc/63/87/79/358638779.db2.gz PFQRSVWSOZIWQX-LBPRGKRZSA-N 2 2 243.354 2.655 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@@H]2C2CCCCC2)c[nH+]1 ZINC000130702954 358641460 /nfs/dbraw/zinc/64/14/60/358641460.db2.gz LCKXHSVCLOUVRH-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@@H]2C2CCCCC2)c[nH+]1 ZINC000130702954 358641465 /nfs/dbraw/zinc/64/14/65/358641465.db2.gz LCKXHSVCLOUVRH-OAHLLOKOSA-N 2 2 247.386 2.928 20 0 BFADLP CC(C)(C)CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131926197 358701816 /nfs/dbraw/zinc/70/18/16/358701816.db2.gz KRBBYKLPOUHKRT-CQSZACIVSA-N 2 2 248.370 2.971 20 0 BFADLP CC(C)(C)CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000131926197 358701819 /nfs/dbraw/zinc/70/18/19/358701819.db2.gz KRBBYKLPOUHKRT-CQSZACIVSA-N 2 2 248.370 2.971 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@H]2C2CCCC2)c[nH+]1 ZINC000131239699 358666772 /nfs/dbraw/zinc/66/67/72/358666772.db2.gz RXHCIBRPIWNCTL-AWEZNQCLSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@H]2C2CCCC2)c[nH+]1 ZINC000131239699 358666773 /nfs/dbraw/zinc/66/67/73/358666773.db2.gz RXHCIBRPIWNCTL-AWEZNQCLSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CC[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c[nH+]1 ZINC000131610680 358687010 /nfs/dbraw/zinc/68/70/10/358687010.db2.gz ICAUSAQUTRDENL-HNNXBMFYSA-N 2 2 245.370 2.705 20 0 BFADLP c1cn(CC[N@H+]2CCC[C@@]3(CC=CCC3)C2)c[nH+]1 ZINC000131610680 358687011 /nfs/dbraw/zinc/68/70/11/358687011.db2.gz ICAUSAQUTRDENL-HNNXBMFYSA-N 2 2 245.370 2.705 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H](Cc1ccccc1)[NH+](C)C ZINC000132869593 358737815 /nfs/dbraw/zinc/73/78/15/358737815.db2.gz LXEFFKVYZMBCEE-HOCLYGCPSA-N 2 2 248.414 2.793 20 0 BFADLP CC[C@@H](C)C[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000054488605 358864099 /nfs/dbraw/zinc/86/40/99/358864099.db2.gz QJIYRZPKNGPAHQ-DOMZBBRYSA-N 2 2 232.371 2.509 20 0 BFADLP C[C@@H]([NH2+]CC[NH+]1CCC(C)CC1)C1CCCC1 ZINC000054081064 358850488 /nfs/dbraw/zinc/85/04/88/358850488.db2.gz ZFCLVBYHIDBFOD-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+]CC[NH+]2CCCCC2)[C@@H]1C ZINC000070247812 359045677 /nfs/dbraw/zinc/04/56/77/359045677.db2.gz LKPDNHRXLUKKTL-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423316834 192702535 /nfs/dbraw/zinc/70/25/35/192702535.db2.gz BGVNTVXYDHVPOV-KOLCDFICSA-N 2 2 232.327 2.739 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccccc1F ZINC000423336682 192714217 /nfs/dbraw/zinc/71/42/17/192714217.db2.gz XYJJGCMXPBBOTI-ZIAGYGMSSA-N 2 2 236.334 2.604 20 0 BFADLP CC1(C)CCC[C@H]([NH2+]CC[NH+]2CCCC2)C1 ZINC000070682694 359062015 /nfs/dbraw/zinc/06/20/15/359062015.db2.gz URDVXJIDCVOOKC-ZDUSSCGKSA-N 2 2 224.392 2.641 20 0 BFADLP CC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000246820675 359167500 /nfs/dbraw/zinc/16/75/00/359167500.db2.gz UHESTDMLKCLFTH-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H]1CC=CCC1 ZINC000246820675 359167504 /nfs/dbraw/zinc/16/75/04/359167504.db2.gz UHESTDMLKCLFTH-CABCVRRESA-N 2 2 236.403 2.807 20 0 BFADLP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000423406539 192745632 /nfs/dbraw/zinc/74/56/32/192745632.db2.gz YVWXBQDJOXKPOB-UPJWGTAASA-N 2 2 222.376 2.569 20 0 BFADLP COc1cc(C)ccc1[C@H](C)[NH2+]CC1([NH3+])CCC1 ZINC000578638299 366615554 /nfs/dbraw/zinc/61/55/54/366615554.db2.gz SUTWOBGWEYGWMA-LBPRGKRZSA-N 2 2 248.370 2.536 20 0 BFADLP CC1(C)CC[C@@H]([NH2+]CC[NH+]2CCCCC2)C1 ZINC000087771435 359926745 /nfs/dbraw/zinc/92/67/45/359926745.db2.gz CISCSWMVVACONR-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000088162174 359939148 /nfs/dbraw/zinc/93/91/48/359939148.db2.gz VUCLTYSVEZFSHQ-NSHDSACASA-N 2 2 215.300 2.569 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CCC(C)C)n1C ZINC000578884398 366667079 /nfs/dbraw/zinc/66/70/79/366667079.db2.gz MEOMNMGIDLOMHD-NSHDSACASA-N 2 2 223.364 2.643 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000088510405 359964785 /nfs/dbraw/zinc/96/47/85/359964785.db2.gz NLOLIEJEPISTPE-GJZGRUSLSA-N 2 2 238.419 2.983 20 0 BFADLP CC[C@H](C)C[N@H+]1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000088510405 359964792 /nfs/dbraw/zinc/96/47/92/359964792.db2.gz NLOLIEJEPISTPE-GJZGRUSLSA-N 2 2 238.419 2.983 20 0 BFADLP c1cn(CCC[NH2+]CC2CCCCCC2)c[nH+]1 ZINC000089557201 360026601 /nfs/dbraw/zinc/02/66/01/360026601.db2.gz FZOJGOAXYASBER-UHFFFAOYSA-N 2 2 235.375 2.833 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]CC1CCCCCC1 ZINC000089559611 360026720 /nfs/dbraw/zinc/02/67/20/360026720.db2.gz KNVNDSHYCLVHGS-ZDUSSCGKSA-N 2 2 235.375 2.832 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)o2)CC[N@@H+]1C ZINC000090720210 360085481 /nfs/dbraw/zinc/08/54/81/360085481.db2.gz WGMYGUMUZJDSER-ZJUUUORDSA-N 2 2 242.750 2.505 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)o2)CC[N@H+]1C ZINC000090720210 360085483 /nfs/dbraw/zinc/08/54/83/360085483.db2.gz WGMYGUMUZJDSER-ZJUUUORDSA-N 2 2 242.750 2.505 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1C ZINC000629395329 361043238 /nfs/dbraw/zinc/04/32/38/361043238.db2.gz PGEYOVSXUQVGLD-UKRRQHHQSA-N 2 2 232.371 2.534 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629394162 361043567 /nfs/dbraw/zinc/04/35/67/361043567.db2.gz FWFKZPZPADKECQ-ZIAGYGMSSA-N 2 2 232.371 2.534 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(C)c(C)cc1C ZINC000629390863 361046070 /nfs/dbraw/zinc/04/60/70/361046070.db2.gz OHFJFBOFEFFAHH-JKSUJKDBSA-N 2 2 246.398 2.842 20 0 BFADLP Cc1ccc(C)c(C[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629396829 361047122 /nfs/dbraw/zinc/04/71/22/361047122.db2.gz VBHLLXKKNHENDZ-DZGCQCFKSA-N 2 2 232.371 2.534 20 0 BFADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629406915 361054827 /nfs/dbraw/zinc/05/48/27/361054827.db2.gz QGZRWSZEYQUCMN-XJKSGUPXSA-N 2 2 246.398 2.725 20 0 BFADLP C[C@@H](C[N@H+](C)CCc1c[nH+]cn1C)C(C)(C)C ZINC000640347544 361066102 /nfs/dbraw/zinc/06/61/02/361066102.db2.gz IMBPVYBHUALJNA-LBPRGKRZSA-N 2 2 237.391 2.577 20 0 BFADLP C[C@@H](C[N@@H+](C)CCc1c[nH+]cn1C)C(C)(C)C ZINC000640347544 361066105 /nfs/dbraw/zinc/06/61/05/361066105.db2.gz IMBPVYBHUALJNA-LBPRGKRZSA-N 2 2 237.391 2.577 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000629527625 361134263 /nfs/dbraw/zinc/13/42/63/361134263.db2.gz ALKMBYAIERKRJN-KSYCFECVSA-N 2 2 244.382 2.965 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC000629524877 361125667 /nfs/dbraw/zinc/12/56/67/361125667.db2.gz VONTWMHOTOQYIQ-VHDGCEQUSA-N 2 2 232.371 2.786 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)c1sccc1C ZINC000629525952 361126281 /nfs/dbraw/zinc/12/62/81/361126281.db2.gz HHOKPXUJIGVCBM-SDDRHHMPSA-N 2 2 238.400 2.848 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000629544344 361411839 /nfs/dbraw/zinc/41/18/39/361411839.db2.gz KELIJLMHIOGAQV-COLVAYQJSA-N 2 2 248.345 2.543 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C)[NH2+]C1)CC2 ZINC000629540279 361414711 /nfs/dbraw/zinc/41/47/11/361414711.db2.gz VIZZFNVBYHNYNA-IVMMDQJWSA-N 2 2 244.382 2.712 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629540863 361415751 /nfs/dbraw/zinc/41/57/51/361415751.db2.gz YDRUBJYQMSKYJK-WWGRRREGSA-N 2 2 244.382 2.712 20 0 BFADLP CSCC[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000429852314 201132413 /nfs/dbraw/zinc/13/24/13/201132413.db2.gz UYHLBGAXQKEYSE-UHFFFAOYSA-N 2 2 238.400 2.617 20 0 BFADLP CSCC[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000429852314 201132415 /nfs/dbraw/zinc/13/24/15/201132415.db2.gz UYHLBGAXQKEYSE-UHFFFAOYSA-N 2 2 238.400 2.617 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629534813 361408502 /nfs/dbraw/zinc/40/85/02/361408502.db2.gz AYBJBDWFUGOUMG-HLSYRSCKSA-N 2 2 244.382 2.650 20 0 BFADLP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)c1 ZINC000629545146 361424836 /nfs/dbraw/zinc/42/48/36/361424836.db2.gz ABIIZSHRFKJJOF-VNHYZAJKSA-N 2 2 232.371 2.704 20 0 BFADLP CC(C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000629547111 361430498 /nfs/dbraw/zinc/43/04/98/361430498.db2.gz GNYYXVPZEGGKDW-CFVMTHIKSA-N 2 2 232.371 2.724 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2C)s1 ZINC000629547848 361431448 /nfs/dbraw/zinc/43/14/48/361431448.db2.gz KRURUQBHYJEVQK-HOSYDEDBSA-N 2 2 238.400 2.712 20 0 BFADLP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000629548323 361432509 /nfs/dbraw/zinc/43/25/09/361432509.db2.gz NOXLWCQQHNEWEU-MAZHCROVSA-N 2 2 244.382 2.794 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H]1C)c1cccc(C2CC2)c1 ZINC000629548318 361432632 /nfs/dbraw/zinc/43/26/32/361432632.db2.gz YZGWQYSYTQKNHV-BFQNTYOBSA-N 2 2 244.382 2.965 20 0 BFADLP CCCc1cccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000629660822 361565650 /nfs/dbraw/zinc/56/56/50/361565650.db2.gz ZVHGAAVBRNPQIX-CJNGLKHVSA-N 2 2 246.398 2.869 20 0 BFADLP CCCc1cccc(C[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000629660821 361566291 /nfs/dbraw/zinc/56/62/91/361566291.db2.gz ZVHGAAVBRNPQIX-BBRMVZONSA-N 2 2 246.398 2.869 20 0 BFADLP C[C@@H]1C[NH+](CC[NH2+]C(C)(C)C)C[C@@H](C)C1(F)F ZINC000629649918 361546874 /nfs/dbraw/zinc/54/68/74/361546874.db2.gz LCWLEHHZMTXZCX-GHMZBOCLSA-N 2 2 248.361 2.598 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436274028 201319433 /nfs/dbraw/zinc/31/94/33/201319433.db2.gz LNHLLBHDRGYGOH-CVEARBPZSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000436274028 201319434 /nfs/dbraw/zinc/31/94/34/201319434.db2.gz LNHLLBHDRGYGOH-CVEARBPZSA-N 2 2 246.398 2.864 20 0 BFADLP Cc1cccn2c(C[NH2+][C@@H]3CC[C@H](C)C3)c[nH+]c12 ZINC000436403741 201324447 /nfs/dbraw/zinc/32/44/47/201324447.db2.gz BNHXTWQFQNNIJR-WCQYABFASA-N 2 2 243.354 2.921 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2C2CC2)CCC1 ZINC000437095686 201343370 /nfs/dbraw/zinc/34/33/70/201343370.db2.gz REOCLKNYEYIOPW-KBPBESRZSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1([NH+](C)C)CCC1 ZINC000437110078 201345984 /nfs/dbraw/zinc/34/59/84/201345984.db2.gz ZPBZHWHQLIAMJA-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@@H](C)[C@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC000155709117 201348097 /nfs/dbraw/zinc/34/80/97/201348097.db2.gz AOQNZYJLRXZEFF-OLZOCXBDSA-N 2 2 223.364 2.688 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@H]1[NH3+] ZINC000251900574 364666433 /nfs/dbraw/zinc/66/64/33/364666433.db2.gz WIQJYEINZPZGIR-PSASIEDQSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)CC[C@H]1[NH3+] ZINC000251900574 364666437 /nfs/dbraw/zinc/66/64/37/364666437.db2.gz WIQJYEINZPZGIR-PSASIEDQSA-N 2 2 244.791 2.571 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC000398998765 364668237 /nfs/dbraw/zinc/66/82/37/364668237.db2.gz ASESSAVOVDYDDZ-CFVMTHIKSA-N 2 2 232.371 2.868 20 0 BFADLP CC[C@H]([NH2+][C@H]1CC[C@H](C)[NH2+]C1)c1ccccc1 ZINC000398998767 364668739 /nfs/dbraw/zinc/66/87/39/364668739.db2.gz ASESSAVOVDYDDZ-QEJZJMRPSA-N 2 2 232.371 2.868 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)n1C ZINC000573935091 364951232 /nfs/dbraw/zinc/95/12/32/364951232.db2.gz BNWOVEFPQVOJRQ-WCQYABFASA-N 2 2 235.375 2.644 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2ccsc2)n1C ZINC000574291784 365032466 /nfs/dbraw/zinc/03/24/66/365032466.db2.gz DPWPVKRCUOACMN-JTQLQIEISA-N 2 2 249.383 2.511 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CC(C)(F)F ZINC000574744437 365132748 /nfs/dbraw/zinc/13/27/48/365132748.db2.gz WBNPHYZWGDVZRC-UHFFFAOYSA-N 2 2 228.286 2.567 20 0 BFADLP CC[C@H]1CCCCC[N@@H+]1CCCn1cc[nH+]c1 ZINC000182793127 366942565 /nfs/dbraw/zinc/94/25/65/366942565.db2.gz HUTPHRNJKNHAAE-AWEZNQCLSA-N 2 2 235.375 2.928 20 0 BFADLP CC[C@H]1CCCCC[N@H+]1CCCn1cc[nH+]c1 ZINC000182793127 366942572 /nfs/dbraw/zinc/94/25/72/366942572.db2.gz HUTPHRNJKNHAAE-AWEZNQCLSA-N 2 2 235.375 2.928 20 0 BFADLP C[C@@H]1CCC[C@H](C)C[N@H+]1CCCn1cc[nH+]c1 ZINC000182795853 366942701 /nfs/dbraw/zinc/94/27/01/366942701.db2.gz WORKRQVTEVJVSR-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@@H]1CCC[C@H](C)C[N@@H+]1CCCn1cc[nH+]c1 ZINC000182795853 366942706 /nfs/dbraw/zinc/94/27/06/366942706.db2.gz WORKRQVTEVJVSR-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CC1CCC([N@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000182619069 366923078 /nfs/dbraw/zinc/92/30/78/366923078.db2.gz MJCGEFICQFYJKM-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP CC1CCC([N@@H+](C)CCCn2cc[nH+]c2)CC1 ZINC000182619069 366923083 /nfs/dbraw/zinc/92/30/83/366923083.db2.gz MJCGEFICQFYJKM-UHFFFAOYSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H](C1CC1)[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182681596 366931050 /nfs/dbraw/zinc/93/10/50/366931050.db2.gz BPAHKYCVPXFRFH-GFCCVEGCSA-N 2 2 233.359 2.536 20 0 BFADLP C[C@H](C1CC1)[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182681596 366931052 /nfs/dbraw/zinc/93/10/52/366931052.db2.gz BPAHKYCVPXFRFH-GFCCVEGCSA-N 2 2 233.359 2.536 20 0 BFADLP C[C@H]1CCC[C@H]([N@H+](C)CCCn2cc[nH+]c2)C1 ZINC000182682261 366931116 /nfs/dbraw/zinc/93/11/16/366931116.db2.gz TWWBGXSSRBKKQY-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H]1CCC[C@H]([N@@H+](C)CCCn2cc[nH+]c2)C1 ZINC000182682261 366931118 /nfs/dbraw/zinc/93/11/18/366931118.db2.gz TWWBGXSSRBKKQY-KBPBESRZSA-N 2 2 235.375 2.784 20 0 BFADLP CCCC(CCC)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000381426673 367400105 /nfs/dbraw/zinc/40/01/05/367400105.db2.gz YYGFWYCJXUEFQB-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC(CCC)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000381426673 367400110 /nfs/dbraw/zinc/40/01/10/367400110.db2.gz YYGFWYCJXUEFQB-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP C(C[NH+]1CCCCC1)[NH2+][C@H]1CC2CCC1CC2 ZINC000382072414 367482536 /nfs/dbraw/zinc/48/25/36/367482536.db2.gz CLWYMXJDCBOPNA-NRXISQOPSA-N 2 2 236.403 2.641 20 0 BFADLP CC/C=C\C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000384733019 367723514 /nfs/dbraw/zinc/72/35/14/367723514.db2.gz KDPAVVPSGHAJRP-ARJAWSKDSA-N 2 2 241.338 2.928 20 0 BFADLP C[N@H+](Cc1cc2ccccc2o1)C1(C[NH3+])CCC1 ZINC000385237422 367812599 /nfs/dbraw/zinc/81/25/99/367812599.db2.gz UKBDPMWLXFCRSV-UHFFFAOYSA-N 2 2 244.338 2.746 20 0 BFADLP C[N@@H+](Cc1cc2ccccc2o1)C1(C[NH3+])CCC1 ZINC000385237422 367812606 /nfs/dbraw/zinc/81/26/06/367812606.db2.gz UKBDPMWLXFCRSV-UHFFFAOYSA-N 2 2 244.338 2.746 20 0 BFADLP C[C@@H](CC(C)(C)C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000385252345 367813502 /nfs/dbraw/zinc/81/35/02/367813502.db2.gz WFJLZDROAKGAKM-LBPRGKRZSA-N 2 2 226.408 2.885 20 0 BFADLP CC/C=C\C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000385076309 367783775 /nfs/dbraw/zinc/78/37/75/367783775.db2.gz WFBXGZFGUZMJAV-HYXAFXHYSA-N 2 2 245.370 2.606 20 0 BFADLP Cc1cn(Cc2cn3c(cccc3C)[nH+]2)c(C)[nH+]1 ZINC000631014517 370894804 /nfs/dbraw/zinc/89/48/04/370894804.db2.gz TUCMDFFDAOSIKF-UHFFFAOYSA-N 2 2 240.310 2.504 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2[NH2+]CCc3ccccc32)[C@H]1C ZINC000386217695 367932481 /nfs/dbraw/zinc/93/24/81/367932481.db2.gz HXDZPYBSUZZYEU-GUYJKWIASA-N 2 2 244.382 2.508 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)s2)C[NH2+]1 ZINC000399197593 367898972 /nfs/dbraw/zinc/89/89/72/367898972.db2.gz SLHGWNJWOJZIJE-RKDXNWHRSA-N 2 2 244.791 2.632 20 0 BFADLP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000386579476 367997336 /nfs/dbraw/zinc/99/73/36/367997336.db2.gz OFVLDPJOMJVEGI-HIFRSBDPSA-N 2 2 232.371 2.615 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000386883376 368031378 /nfs/dbraw/zinc/03/13/78/368031378.db2.gz MNMYASPAEWUXKG-FMKPAKJESA-N 2 2 246.398 2.753 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000386883376 368031383 /nfs/dbraw/zinc/03/13/83/368031383.db2.gz MNMYASPAEWUXKG-FMKPAKJESA-N 2 2 246.398 2.753 20 0 BFADLP CCC(CC)C[N@H+](CC)CCc1c[nH+]cn1C ZINC000459301816 203249108 /nfs/dbraw/zinc/24/91/08/203249108.db2.gz NAPCVLKGUOPDRG-UHFFFAOYSA-N 2 2 237.391 2.721 20 0 BFADLP CCC(CC)C[N@@H+](CC)CCc1c[nH+]cn1C ZINC000459301816 203249110 /nfs/dbraw/zinc/24/91/10/203249110.db2.gz NAPCVLKGUOPDRG-UHFFFAOYSA-N 2 2 237.391 2.721 20 0 BFADLP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459343933 203259580 /nfs/dbraw/zinc/25/95/80/203259580.db2.gz QWRJKIXCZWUDKG-ZFWWWQNUSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@H](C)[C@@H]1CCCC[N@H+]1CCc1c[nH+]cn1C ZINC000459343933 203259584 /nfs/dbraw/zinc/25/95/84/203259584.db2.gz QWRJKIXCZWUDKG-ZFWWWQNUSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@H](C)[C@@H](C)[N@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459335789 203259719 /nfs/dbraw/zinc/25/97/19/203259719.db2.gz IQMONCRLDDMBTP-QWHCGFSZSA-N 2 2 249.402 2.862 20 0 BFADLP CC[C@H](C)[C@@H](C)[N@@H+](CCc1c[nH+]cn1C)C1CC1 ZINC000459335789 203259722 /nfs/dbraw/zinc/25/97/22/203259722.db2.gz IQMONCRLDDMBTP-QWHCGFSZSA-N 2 2 249.402 2.862 20 0 BFADLP CCC(C)(C)[C@H]1CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000459360017 203266865 /nfs/dbraw/zinc/26/68/65/203266865.db2.gz DCTMYJIBIWZCAW-CQSZACIVSA-N 2 2 249.402 2.863 20 0 BFADLP CCC(C)(C)[C@H]1CCC[N@H+]1CCc1c[nH+]cn1C ZINC000459360017 203266867 /nfs/dbraw/zinc/26/68/67/203266867.db2.gz DCTMYJIBIWZCAW-CQSZACIVSA-N 2 2 249.402 2.863 20 0 BFADLP Cn1c[nH+]cc1CC[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000459507867 203292742 /nfs/dbraw/zinc/29/27/42/203292742.db2.gz JOJOGQGDXDICNI-CYBMUJFWSA-N 2 2 249.402 2.721 20 0 BFADLP Cn1c[nH+]cc1CC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000459507867 203292745 /nfs/dbraw/zinc/29/27/45/203292745.db2.gz JOJOGQGDXDICNI-CYBMUJFWSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@@H](CC1CCCC1)[NH2+]CCc1cn(C)c[nH+]1 ZINC000459661601 203332790 /nfs/dbraw/zinc/33/27/90/203332790.db2.gz MQPFKERZKYPCQC-LBPRGKRZSA-N 2 2 235.375 2.521 20 0 BFADLP Cc1ccc(CCC[N@@H+]2C[C@@H]3C[C@H]2CS3)c[nH+]1 ZINC000459770280 203363916 /nfs/dbraw/zinc/36/39/16/203363916.db2.gz SAZVICJYWFBHMX-KBPBESRZSA-N 2 2 248.395 2.512 20 0 BFADLP Cc1ccc(CCC[N@H+]2C[C@@H]3C[C@H]2CS3)c[nH+]1 ZINC000459770280 203363920 /nfs/dbraw/zinc/36/39/20/203363920.db2.gz SAZVICJYWFBHMX-KBPBESRZSA-N 2 2 248.395 2.512 20 0 BFADLP CC[C@H]1CCC[C@@H]1C[NH2+]Cc1c[nH+]c(C)n1C ZINC000568296265 326343034 /nfs/dbraw/zinc/34/30/34/326343034.db2.gz DEIGKNNWQJFYDA-QWHCGFSZSA-N 2 2 235.375 2.644 20 0 BFADLP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783055 370532423 /nfs/dbraw/zinc/53/24/23/370532423.db2.gz WOQZGGNJQHYHMA-KYOSRNDESA-N 2 2 248.345 2.700 20 0 BFADLP C[C@H](c1cccc(F)c1)[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621783055 370532426 /nfs/dbraw/zinc/53/24/26/370532426.db2.gz WOQZGGNJQHYHMA-KYOSRNDESA-N 2 2 248.345 2.700 20 0 BFADLP CC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000623785822 371090606 /nfs/dbraw/zinc/09/06/06/371090606.db2.gz LVYNJPVQSUSXCS-HOCLYGCPSA-N 2 2 246.398 2.864 20 0 BFADLP CC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000623785822 371090612 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c1cn2c(cccc2C[NH2+][C@@H]2CCCC23CC3)[nH+]1 ZINC000631194289 372226419 /nfs/dbraw/zinc/22/64/19/372226419.db2.gz XJVLIAQFVMEJPU-CYBMUJFWSA-N 2 2 241.338 2.757 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccc2ccccc2c1 ZINC000631859416 372657947 /nfs/dbraw/zinc/65/79/47/372657947.db2.gz NYDRPGLMTVCKBH-BLLLJJGKSA-N 2 2 240.350 2.761 20 0 BFADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccc2ccccc2c1 ZINC000631859416 372657951 /nfs/dbraw/zinc/65/79/51/372657951.db2.gz NYDRPGLMTVCKBH-BLLLJJGKSA-N 2 2 240.350 2.761 20 0 BFADLP CCCC[N@H+](C)CC1CC[NH+](CC(F)F)CC1 ZINC000172190015 372900971 /nfs/dbraw/zinc/90/09/71/372900971.db2.gz GERGODUCPDTLOR-UHFFFAOYSA-N 2 2 248.361 2.695 20 0 BFADLP CCCC[N@@H+](C)CC1CC[NH+](CC(F)F)CC1 ZINC000172190015 372900973 /nfs/dbraw/zinc/90/09/73/372900973.db2.gz GERGODUCPDTLOR-UHFFFAOYSA-N 2 2 248.361 2.695 20 0 BFADLP CC[N@H+](CC[NH2+]C[C@@H](C)c1ccccc1)C1CC1 ZINC000194320256 206088289 /nfs/dbraw/zinc/08/82/89/206088289.db2.gz NBWZJTAYZGLQMP-CQSZACIVSA-N 2 2 246.398 2.864 20 0 BFADLP CC[N@@H+](CC[NH2+]C[C@@H](C)c1ccccc1)C1CC1 ZINC000194320256 206088294 /nfs/dbraw/zinc/08/82/94/206088294.db2.gz NBWZJTAYZGLQMP-CQSZACIVSA-N 2 2 246.398 2.864 20 0 BFADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000459657638 206135615 /nfs/dbraw/zinc/13/56/15/206135615.db2.gz NWQDLOCWZOHQHI-RGCMKSIDSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000459657638 206135620 /nfs/dbraw/zinc/13/56/20/206135620.db2.gz NWQDLOCWZOHQHI-RGCMKSIDSA-N 2 2 236.403 2.636 20 0 BFADLP CCC[N@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353383566 169078129 /nfs/dbraw/zinc/07/81/29/169078129.db2.gz QVHWEYPSVIAJIS-UHFFFAOYSA-N 2 2 206.333 2.664 20 0 BFADLP CCC[N@@H+](C)CCCc1ccc(C)[nH+]c1 ZINC000353383566 169078131 /nfs/dbraw/zinc/07/81/31/169078131.db2.gz QVHWEYPSVIAJIS-UHFFFAOYSA-N 2 2 206.333 2.664 20 0 BFADLP CCC[N@H+](CC)C[C@H](C)Nc1cccc(C)[nH+]1 ZINC000357775379 169129369 /nfs/dbraw/zinc/12/93/69/169129369.db2.gz PFQIAQNDYNLYGI-ZDUSSCGKSA-N 2 2 235.375 2.922 20 0 BFADLP CCC[N@@H+](CC)C[C@H](C)Nc1cccc(C)[nH+]1 ZINC000357775379 169129371 /nfs/dbraw/zinc/12/93/71/169129371.db2.gz PFQIAQNDYNLYGI-ZDUSSCGKSA-N 2 2 235.375 2.922 20 0 BFADLP CCC[N@H+](Cc1sccc1C)[C@@H]1CC[NH2+]C1 ZINC000070901888 169181889 /nfs/dbraw/zinc/18/18/89/169181889.db2.gz IXDFAWCMOFALEE-GFCCVEGCSA-N 2 2 238.400 2.630 20 0 BFADLP CCC[N@@H+](Cc1sccc1C)[C@@H]1CC[NH2+]C1 ZINC000070901888 169181892 /nfs/dbraw/zinc/18/18/92/169181892.db2.gz IXDFAWCMOFALEE-GFCCVEGCSA-N 2 2 238.400 2.630 20 0 BFADLP CCC[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000361060506 169186238 /nfs/dbraw/zinc/18/62/38/169186238.db2.gz WPWWWQDKPOXXFY-UHFFFAOYSA-N 2 2 235.375 2.785 20 0 BFADLP CCC[NH+]1CCC(Nc2ccc[nH+]c2C)CC1 ZINC000091495366 169189749 /nfs/dbraw/zinc/18/97/49/169189749.db2.gz QXHLRQVGLPRAHQ-UHFFFAOYSA-N 2 2 233.359 2.676 20 0 BFADLP CCC[NH2+]CC[NH2+]Cc1cccc2ccccc21 ZINC000228718588 169259038 /nfs/dbraw/zinc/25/90/38/169259038.db2.gz ZVSXKJLWIMCFPX-UHFFFAOYSA-N 2 2 242.366 2.929 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H](C)[NH+]1CCCCC1 ZINC000038028211 169370138 /nfs/dbraw/zinc/37/01/38/169370138.db2.gz OCAJZKMPGMUAIA-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000362231935 169358019 /nfs/dbraw/zinc/35/80/19/169358019.db2.gz AGLYGZOGAWNUKY-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC000362231935 169358020 /nfs/dbraw/zinc/35/80/20/169358020.db2.gz AGLYGZOGAWNUKY-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@@H](C)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000362231935 169358021 /nfs/dbraw/zinc/35/80/21/169358021.db2.gz AGLYGZOGAWNUKY-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@@H](C)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC000362231935 169358022 /nfs/dbraw/zinc/35/80/22/169358022.db2.gz AGLYGZOGAWNUKY-ZIAGYGMSSA-N 2 2 224.392 2.593 20 0 BFADLP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000336743409 169373276 /nfs/dbraw/zinc/37/32/76/169373276.db2.gz PCDXZJIKCOOSKI-NEPJUHHUSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000336743409 169373278 /nfs/dbraw/zinc/37/32/78/169373278.db2.gz PCDXZJIKCOOSKI-NEPJUHHUSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000125097237 169379746 /nfs/dbraw/zinc/37/97/46/169379746.db2.gz UUEQYUJXOVIOFL-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCC[C@@H](CC)[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000125097237 169379748 /nfs/dbraw/zinc/37/97/48/169379748.db2.gz UUEQYUJXOVIOFL-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000035012501 383824867 /nfs/dbraw/zinc/82/48/67/383824867.db2.gz LCDQQZCUFKCKKZ-LBPRGKRZSA-N 2 2 241.338 2.760 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1 ZINC000035012502 383825305 /nfs/dbraw/zinc/82/53/05/383825305.db2.gz LCDQQZCUFKCKKZ-GFCCVEGCSA-N 2 2 241.338 2.760 20 0 BFADLP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309291524 383867003 /nfs/dbraw/zinc/86/70/03/383867003.db2.gz JUOCJLRJSRTZJH-NRUUGDAUSA-N 2 2 238.762 2.823 20 0 BFADLP C[C@H](c1ccccc1Cl)[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000309291524 383867006 /nfs/dbraw/zinc/86/70/06/383867006.db2.gz JUOCJLRJSRTZJH-NRUUGDAUSA-N 2 2 238.762 2.823 20 0 BFADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccco1 ZINC000037140991 383944711 /nfs/dbraw/zinc/94/47/11/383944711.db2.gz UMTTZRVXVZRHFU-NSHDSACASA-N 2 2 234.343 2.557 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1 ZINC000037157853 383949039 /nfs/dbraw/zinc/94/90/39/383949039.db2.gz PZLGNWNADCWYOK-KBPBESRZSA-N 2 2 243.354 2.931 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)o1 ZINC000037158007 383949800 /nfs/dbraw/zinc/94/98/00/383949800.db2.gz JEIGIONUIOIFMV-ZYHUDNBSSA-N 2 2 233.315 2.524 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]C1CC(C)(F)C1 ZINC000449375432 384061541 /nfs/dbraw/zinc/06/15/41/384061541.db2.gz HCRBAIZHXZQLIX-UHFFFAOYSA-N 2 2 236.334 2.803 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000038087444 384066580 /nfs/dbraw/zinc/06/65/80/384066580.db2.gz DFLQFNCKTBPBHP-UKRRQHHQSA-N 2 2 234.387 2.923 20 0 BFADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000449377147 384068183 /nfs/dbraw/zinc/06/81/83/384068183.db2.gz RHPCPDZPZLRMIJ-WFASDCNBSA-N 2 2 234.387 2.559 20 0 BFADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC000449377147 384068188 /nfs/dbraw/zinc/06/81/88/384068188.db2.gz RHPCPDZPZLRMIJ-WFASDCNBSA-N 2 2 234.387 2.559 20 0 BFADLP c1cn(CC[NH2+][C@@H]2CCCc3ccccc32)c[nH+]1 ZINC000041063993 384176055 /nfs/dbraw/zinc/17/60/55/384176055.db2.gz BZNDJILNWRRFKE-OAHLLOKOSA-N 2 2 241.338 2.550 20 0 BFADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(Cl)c1 ZINC000041064025 384176159 /nfs/dbraw/zinc/17/61/59/384176159.db2.gz KYNGEPXDJAJIQR-NSHDSACASA-N 2 2 249.745 2.887 20 0 BFADLP c1csc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000092659254 384187600 /nfs/dbraw/zinc/18/76/00/384187600.db2.gz TUXITNVAPPJBSB-UHFFFAOYSA-N 2 2 247.367 2.782 20 0 BFADLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)o1 ZINC000092648506 384188704 /nfs/dbraw/zinc/18/87/04/384188704.db2.gz IVFPRVGHWFDFAI-UHFFFAOYSA-N 2 2 245.326 2.622 20 0 BFADLP CC[C@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000119057164 384231167 /nfs/dbraw/zinc/23/11/67/384231167.db2.gz QBPRFKXTIZSCNZ-ZFWWWQNUSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccccc1C1([NH2+][C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000647315897 384213229 /nfs/dbraw/zinc/21/32/29/384213229.db2.gz FKJWWHVROAXULS-DZGCQCFKSA-N 2 2 244.382 2.524 20 0 BFADLP Cc1ccccc1C1([NH2+][C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000647315897 384213237 /nfs/dbraw/zinc/21/32/37/384213237.db2.gz FKJWWHVROAXULS-DZGCQCFKSA-N 2 2 244.382 2.524 20 0 BFADLP Cc1cc(C)cc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000042321305 384214631 /nfs/dbraw/zinc/21/46/31/384214631.db2.gz LXXFGEXLEQBQFV-AWEZNQCLSA-N 2 2 243.354 2.678 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000093597290 384251627 /nfs/dbraw/zinc/25/16/27/384251627.db2.gz VAORVGXHADKYIP-AWEZNQCLSA-N 2 2 248.370 2.506 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)o1 ZINC000093597290 384251629 /nfs/dbraw/zinc/25/16/29/384251629.db2.gz VAORVGXHADKYIP-AWEZNQCLSA-N 2 2 248.370 2.506 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000235530788 384264442 /nfs/dbraw/zinc/26/44/42/384264442.db2.gz DOBGFQTVUGOUQS-GWCFXTLKSA-N 2 2 238.762 2.743 20 0 BFADLP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000447579039 384328532 /nfs/dbraw/zinc/32/85/32/384328532.db2.gz MIWZOXNBELUZOF-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](CC1CCCCC1)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000447579039 384328534 /nfs/dbraw/zinc/32/85/34/384328534.db2.gz MIWZOXNBELUZOF-KCQAQPDRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[N@@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000075937997 384393744 /nfs/dbraw/zinc/39/37/44/384393744.db2.gz BAFIHEZSRHIXBM-OAHLLOKOSA-N 2 2 238.419 2.983 20 0 BFADLP CC(C)CC[N@H+]1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000075937997 384393749 /nfs/dbraw/zinc/39/37/49/384393749.db2.gz BAFIHEZSRHIXBM-OAHLLOKOSA-N 2 2 238.419 2.983 20 0 BFADLP CC1(C)CCC[C@@H](C[NH2+][C@@H](CC[NH3+])C(F)F)C1 ZINC000560973808 384430473 /nfs/dbraw/zinc/43/04/73/384430473.db2.gz QBQRSASSVBSWGK-MNOVXSKESA-N 2 2 248.361 2.775 20 0 BFADLP C[NH+](C)[C@H](C[NH2+]CC1(C)CC1)Cc1ccccc1 ZINC000558961433 384439537 /nfs/dbraw/zinc/43/95/37/384439537.db2.gz UTQXPUPGQIXLAR-HNNXBMFYSA-N 2 2 246.398 2.549 20 0 BFADLP CCC[C@H]([NH2+]CCc1cn(C)c[nH+]1)[C@H]1CC1(C)C ZINC000397567018 384487954 /nfs/dbraw/zinc/48/79/54/384487954.db2.gz BEVPLPLGLJEVRW-KGLIPLIRSA-N 2 2 249.402 2.767 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)o1 ZINC000049553168 384546131 /nfs/dbraw/zinc/54/61/31/384546131.db2.gz DQKQTRPLTCQORQ-PWSUYJOCSA-N 2 2 224.348 2.579 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)o1 ZINC000151162090 384550230 /nfs/dbraw/zinc/55/02/30/384550230.db2.gz IJPPVAWLUCLQIO-GFCCVEGCSA-N 2 2 247.342 2.779 20 0 BFADLP Cn1cc[nH+]c1-c1ccc(C2CC[NH2+]CC2)cc1 ZINC000258298692 384560107 /nfs/dbraw/zinc/56/01/07/384560107.db2.gz LYCAUPVKIWUERQ-UHFFFAOYSA-N 2 2 241.338 2.554 20 0 BFADLP C[C@H](CCc1ccsc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000309734235 384572719 /nfs/dbraw/zinc/57/27/19/384572719.db2.gz FYWFEFBWNQLGSD-NEPJUHHUSA-N 2 2 240.416 2.609 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)C1C(C)(C)C1(C)C ZINC000309756100 384584992 /nfs/dbraw/zinc/58/49/92/384584992.db2.gz LOBMHWJKDAHVAW-WDEREUQCSA-N 2 2 226.408 2.597 20 0 BFADLP [NH3+][C@@H]1CCC[C@H](Nc2ccc3c(c2)CCC[NH2+]3)C1 ZINC000568248452 384619175 /nfs/dbraw/zinc/61/91/75/384619175.db2.gz RGWDDDAWKJINLA-OLZOCXBDSA-N 2 2 245.370 2.727 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403330145 384634200 /nfs/dbraw/zinc/63/42/00/384634200.db2.gz QEQJXKIODJMVEE-VNQPRFMTSA-N 2 2 244.382 2.958 20 0 BFADLP c1cn(CCCC[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c[nH+]1 ZINC000403330470 384636125 /nfs/dbraw/zinc/63/61/25/384636125.db2.gz FVOQHZHFTHIASM-KFWWJZLASA-N 2 2 247.386 2.689 20 0 BFADLP Fc1cccc(C[NH2+]CCCCn2cc[nH+]c2)c1 ZINC000044353303 384655606 /nfs/dbraw/zinc/65/56/06/384655606.db2.gz XUQWQLMWMQEWRW-UHFFFAOYSA-N 2 2 247.317 2.592 20 0 BFADLP CC[C@@H](C)[NH2+]CCc1cn2c(cccc2C)[nH+]1 ZINC000647364933 384693097 /nfs/dbraw/zinc/69/30/97/384693097.db2.gz SGJXUQJZLINUJG-LLVKDONJSA-N 2 2 231.343 2.573 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC[N@H+](C)C(C)C ZINC000300927511 384709096 /nfs/dbraw/zinc/70/90/96/384709096.db2.gz NLXZMYKPYCDUHQ-ZDUSSCGKSA-N 2 2 214.397 2.598 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]CC[N@@H+](C)C(C)C ZINC000300927511 384709101 /nfs/dbraw/zinc/70/91/01/384709101.db2.gz NLXZMYKPYCDUHQ-ZDUSSCGKSA-N 2 2 214.397 2.598 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]CC1CCCCC1 ZINC000053345010 384716314 /nfs/dbraw/zinc/71/63/14/384716314.db2.gz NZSXQSBUQHFJCI-UHFFFAOYSA-N 2 2 226.408 2.888 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]CC1CCCCC1 ZINC000053345010 384716323 /nfs/dbraw/zinc/71/63/23/384716323.db2.gz NZSXQSBUQHFJCI-UHFFFAOYSA-N 2 2 226.408 2.888 20 0 BFADLP Fc1ccccc1C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000647554041 384773780 /nfs/dbraw/zinc/77/37/80/384773780.db2.gz PQICNFORVREWMB-AWEZNQCLSA-N 2 2 248.345 2.590 20 0 BFADLP CC(C)C1CCC([NH2+]C[C@@H](C)[NH+](C)C)CC1 ZINC000054556232 384737193 /nfs/dbraw/zinc/73/71/93/384737193.db2.gz ROCUFWHUCDWPSL-IYXRBSQSSA-N 2 2 226.408 2.741 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+]CC1(C)CC1 ZINC000309699426 384739246 /nfs/dbraw/zinc/73/92/46/384739246.db2.gz MDQOFISRJLKQOK-UHFFFAOYSA-N 2 2 218.344 2.712 20 0 BFADLP c1ccc(NC2CC[NH+](CCC3CC3)CC2)[nH+]c1 ZINC000536367865 384745544 /nfs/dbraw/zinc/74/55/44/384745544.db2.gz BPLIEOVIWNSMCR-UHFFFAOYSA-N 2 2 245.370 2.758 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2C[NH2+]C[C@H](C)C2)c(C)c1 ZINC000647550130 384747168 /nfs/dbraw/zinc/74/71/68/384747168.db2.gz BGTGAHKFZCTQED-IUODEOHRSA-N 2 2 246.398 2.699 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000309962937 384751554 /nfs/dbraw/zinc/75/15/54/384751554.db2.gz MFDRIIISZSEIMA-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccc(C[NH2+]CCCn2cc[nH+]c2)cc1F ZINC000083377389 384768047 /nfs/dbraw/zinc/76/80/47/384768047.db2.gz VJHBOURDIMUQNT-UHFFFAOYSA-N 2 2 247.317 2.511 20 0 BFADLP CCC1CC([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000310019125 384787625 /nfs/dbraw/zinc/78/76/25/384787625.db2.gz MIPJYZGRMQUOLQ-HSBZDZAISA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c[nH]1)c1ccc(Cl)cc1 ZINC000054763478 384848791 /nfs/dbraw/zinc/84/87/91/384848791.db2.gz TXBJHEADMUEMHJ-SECBINFHSA-N 2 2 235.718 2.914 20 0 BFADLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)C(C)(C)C ZINC000163846539 384866448 /nfs/dbraw/zinc/86/64/48/384866448.db2.gz AQNVQXGBXWMSPE-LBPRGKRZSA-N 2 2 235.375 2.908 20 0 BFADLP CC[C@H](C)[NH2+]Cc1ccc(Cn2cc[nH+]c2)cc1 ZINC000152112311 384952151 /nfs/dbraw/zinc/95/21/51/384952151.db2.gz GXQQTILFZKNAHJ-ZDUSSCGKSA-N 2 2 243.354 2.820 20 0 BFADLP CCCC[N@H+](C)CCNc1cc(C)cc[nH+]1 ZINC000301626233 384903630 /nfs/dbraw/zinc/90/36/30/384903630.db2.gz HIWDASPBMRZERI-UHFFFAOYSA-N 2 2 221.348 2.534 20 0 BFADLP CCCC[N@@H+](C)CCNc1cc(C)cc[nH+]1 ZINC000301626233 384903642 /nfs/dbraw/zinc/90/36/42/384903642.db2.gz HIWDASPBMRZERI-UHFFFAOYSA-N 2 2 221.348 2.534 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccsc1 ZINC000294500032 384905185 /nfs/dbraw/zinc/90/51/85/384905185.db2.gz ZKGDTBHGRPXJCS-STQMWFEESA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccsc1 ZINC000294500032 384905193 /nfs/dbraw/zinc/90/51/93/384905193.db2.gz ZKGDTBHGRPXJCS-STQMWFEESA-N 2 2 238.400 2.883 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H](CC(C)C)[NH+](C)C ZINC000252368702 384921761 /nfs/dbraw/zinc/92/17/61/384921761.db2.gz SNGUYUWEOWHQNZ-MJBXVCDLSA-N 2 2 228.424 2.987 20 0 BFADLP C(C[NH+]1CCCCCC1)[NH2+]C1CC2(CCC2)C1 ZINC000448064157 384943367 /nfs/dbraw/zinc/94/33/67/384943367.db2.gz DRWLFMCIGBWWFE-UHFFFAOYSA-N 2 2 236.403 2.785 20 0 BFADLP CC[C@@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000152183019 384984355 /nfs/dbraw/zinc/98/43/55/384984355.db2.gz GFYNRSURRBQGDM-LZWOXQAQSA-N 2 2 246.398 2.895 20 0 BFADLP CC[C@@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000152183019 384984362 /nfs/dbraw/zinc/98/43/62/384984362.db2.gz GFYNRSURRBQGDM-LZWOXQAQSA-N 2 2 246.398 2.895 20 0 BFADLP Cc1sccc1C[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000339343188 384986633 /nfs/dbraw/zinc/98/66/33/384986633.db2.gz JFXYSRCOOFYERM-MFKMUULPSA-N 2 2 238.400 2.629 20 0 BFADLP Cc1sccc1C[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000339343188 384986639 /nfs/dbraw/zinc/98/66/39/384986639.db2.gz JFXYSRCOOFYERM-MFKMUULPSA-N 2 2 238.400 2.629 20 0 BFADLP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)CC1(C)C ZINC000569351365 385003686 /nfs/dbraw/zinc/00/36/86/385003686.db2.gz ARKNHKAENCXQJA-CYBMUJFWSA-N 2 2 249.402 2.721 20 0 BFADLP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)CC1(C)C ZINC000569351365 385003692 /nfs/dbraw/zinc/00/36/92/385003692.db2.gz ARKNHKAENCXQJA-CYBMUJFWSA-N 2 2 249.402 2.721 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C3CC(C)(C)C3)n2c1 ZINC000521069941 385017108 /nfs/dbraw/zinc/01/71/08/385017108.db2.gz YQKQMPFQNQLHBJ-UHFFFAOYSA-N 2 2 243.354 2.921 20 0 BFADLP CC[N@H+](CC[NH2+]C[C@@H](C)CC(C)C)C1CC1 ZINC000300833094 384964481 /nfs/dbraw/zinc/96/44/81/384964481.db2.gz CGQZMBYOQRBART-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](CC[NH2+]C[C@@H](C)CC(C)C)C1CC1 ZINC000300833094 384964483 /nfs/dbraw/zinc/96/44/83/384964483.db2.gz CGQZMBYOQRBART-ZDUSSCGKSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)(C)CC[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000188246715 385031043 /nfs/dbraw/zinc/03/10/43/385031043.db2.gz SSZANADBIQETPF-UHFFFAOYSA-N 2 2 245.370 2.903 20 0 BFADLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C2CCC2)C1 ZINC000449485749 385201848 /nfs/dbraw/zinc/20/18/48/385201848.db2.gz OOBFPSYRVJUHND-TZMCWYRMSA-N 2 2 238.419 2.743 20 0 BFADLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CC(C)(C)C2CCC2)C1 ZINC000449485749 385201854 /nfs/dbraw/zinc/20/18/54/385201854.db2.gz OOBFPSYRVJUHND-TZMCWYRMSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@H](C[N@H+](C)Cc1ccccc1)[NH2+]CC1CC1 ZINC000306725022 385176377 /nfs/dbraw/zinc/17/63/77/385176377.db2.gz JXCOWKDQHOZGQP-CYBMUJFWSA-N 2 2 232.371 2.507 20 0 BFADLP C[C@H](C[N@@H+](C)Cc1ccccc1)[NH2+]CC1CC1 ZINC000306725022 385176386 /nfs/dbraw/zinc/17/63/86/385176386.db2.gz JXCOWKDQHOZGQP-CYBMUJFWSA-N 2 2 232.371 2.507 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000157516043 385208223 /nfs/dbraw/zinc/20/82/23/385208223.db2.gz ULILXCRIQGISPL-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1CNc1cccc(C)[nH+]1 ZINC000157516043 385208233 /nfs/dbraw/zinc/20/82/33/385208233.db2.gz ULILXCRIQGISPL-CYBMUJFWSA-N 2 2 233.359 2.676 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+]CCn2cc[nH+]c2)c1 ZINC000130205583 385227253 /nfs/dbraw/zinc/22/72/53/385227253.db2.gz XTQSZZZJXQHJLJ-AWEZNQCLSA-N 2 2 243.354 2.851 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccco1 ZINC000166567153 385256970 /nfs/dbraw/zinc/25/69/70/385256970.db2.gz QKHUMKBHHMKLFM-LBPRGKRZSA-N 2 2 224.348 2.661 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccco1 ZINC000166567153 385256975 /nfs/dbraw/zinc/25/69/75/385256975.db2.gz QKHUMKBHHMKLFM-LBPRGKRZSA-N 2 2 224.348 2.661 20 0 BFADLP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C[NH+](C)C)C1CC1 ZINC000177238463 385204810 /nfs/dbraw/zinc/20/48/10/385204810.db2.gz MCAZHLRUVBVIBC-CJNGLKHVSA-N 2 2 246.398 2.547 20 0 BFADLP C[C@H]([NH2+]CC[NH3+])c1ccc(-c2ccccc2)cc1 ZINC000037712386 385270155 /nfs/dbraw/zinc/27/01/55/385270155.db2.gz FTDZGDKQDBAAOW-ZDUSSCGKSA-N 2 2 240.350 2.963 20 0 BFADLP Cc1cccc(NC[C@H]2CCC[N@H+]2CC(C)C)[nH+]1 ZINC000158164172 385361077 /nfs/dbraw/zinc/36/10/77/385361077.db2.gz XYUHIBSNIIMCPJ-CQSZACIVSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC(C)C)[nH+]1 ZINC000158164172 385361080 /nfs/dbraw/zinc/36/10/80/385361080.db2.gz XYUHIBSNIIMCPJ-CQSZACIVSA-N 2 2 247.386 2.922 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000168557148 385375398 /nfs/dbraw/zinc/37/53/98/385375398.db2.gz SRQVDSLBJIDXJV-ZFWWWQNUSA-N 2 2 234.387 2.547 20 0 BFADLP C[C@@H](C[NH2+]C1(C[NH+](C)C)CCC1)c1ccccc1 ZINC000281429419 385430935 /nfs/dbraw/zinc/43/09/35/385430935.db2.gz ZNEPGHBSBVEKGT-AWEZNQCLSA-N 2 2 246.398 2.864 20 0 BFADLP c1cn2c(cccc2C[NH2+]CCC2=CCCC2)[nH+]1 ZINC000179430892 385465423 /nfs/dbraw/zinc/46/54/23/385465423.db2.gz MFVVMOUNPZGDSF-UHFFFAOYSA-N 2 2 241.338 2.924 20 0 BFADLP CCOc1cccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000171133034 385469613 /nfs/dbraw/zinc/46/96/13/385469613.db2.gz ZMNMQIBCAQIIPO-NSHDSACASA-N 2 2 245.326 2.659 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2CCC[C@H]([NH3+])C2)c1Cl ZINC000643030516 385526321 /nfs/dbraw/zinc/52/63/21/385526321.db2.gz WRKTYSYOKYCVHL-UWVGGRQHSA-N 2 2 239.750 2.725 20 0 BFADLP C[C@H](CCC1CCCCC1)[NH2+]CC[NH+](C)C ZINC000336730840 385551292 /nfs/dbraw/zinc/55/12/92/385551292.db2.gz DWSBHFHAMDHNHF-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCC[N@@H+]1C ZINC000309367907 385555834 /nfs/dbraw/zinc/55/58/34/385555834.db2.gz BMPJGQMEGIDDGI-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1[C@@H]([NH2+]CC2CCCCC2)CCC[N@H+]1C ZINC000309367907 385555835 /nfs/dbraw/zinc/55/58/35/385555835.db2.gz BMPJGQMEGIDDGI-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC000309393765 385561261 /nfs/dbraw/zinc/56/12/61/385561261.db2.gz GGMKIXLTKYYSFW-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP CCC[C@H](C)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000337317826 385594321 /nfs/dbraw/zinc/59/43/21/385594321.db2.gz LWHMAWCMLNBGNR-NWDGAFQWSA-N 2 2 221.348 2.778 20 0 BFADLP CCC[C@H](C)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000337317826 385594326 /nfs/dbraw/zinc/59/43/26/385594326.db2.gz LWHMAWCMLNBGNR-NWDGAFQWSA-N 2 2 221.348 2.778 20 0 BFADLP C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000337379908 385621785 /nfs/dbraw/zinc/62/17/85/385621785.db2.gz CVRHPKUVJBAJEL-ZFWWWQNUSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC[C@@H]2[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000337379908 385621790 /nfs/dbraw/zinc/62/17/90/385621790.db2.gz CVRHPKUVJBAJEL-ZFWWWQNUSA-N 2 2 248.414 2.926 20 0 BFADLP CCC[C@@H](C)[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000337440463 385664279 /nfs/dbraw/zinc/66/42/79/385664279.db2.gz ZIQPQEYMGOUNDL-CQSZACIVSA-N 2 2 247.386 2.701 20 0 BFADLP Cc1cn2c([nH+]1)[C@H](C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C)CCC2 ZINC000495090107 385671944 /nfs/dbraw/zinc/67/19/44/385671944.db2.gz ZVRCWUBPSHLAIW-VZZFWQQMSA-N 2 2 247.386 2.703 20 0 BFADLP Cc1cc[nH+]c(NC[C@H](C)C[NH+](C)C)c1Cl ZINC000309540343 385674064 /nfs/dbraw/zinc/67/40/64/385674064.db2.gz FSEOSACPWZSYPN-VIFPVBQESA-N 2 2 241.766 2.653 20 0 BFADLP c1ccc(NCCC[NH2+][C@@H]2CCC23CCC3)[nH+]c1 ZINC000282238375 385744871 /nfs/dbraw/zinc/74/48/71/385744871.db2.gz PUMAKZFFVQZNKO-CYBMUJFWSA-N 2 2 245.370 2.806 20 0 BFADLP c1ccc(NCCC[NH2+][C@H]2CCC23CCC3)[nH+]c1 ZINC000282238379 385745362 /nfs/dbraw/zinc/74/53/62/385745362.db2.gz PUMAKZFFVQZNKO-ZDUSSCGKSA-N 2 2 245.370 2.806 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000309681330 385786378 /nfs/dbraw/zinc/78/63/78/385786378.db2.gz NHSXXXFLDDWSDN-JSGCOSHPSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000309681330 385786381 /nfs/dbraw/zinc/78/63/81/385786381.db2.gz NHSXXXFLDDWSDN-JSGCOSHPSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Cl)o1 ZINC000163629696 385778179 /nfs/dbraw/zinc/77/81/79/385778179.db2.gz DUPHULOERPIFPR-UHFFFAOYSA-N 2 2 244.766 2.753 20 0 BFADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)o1 ZINC000163629696 385778190 /nfs/dbraw/zinc/77/81/90/385778190.db2.gz DUPHULOERPIFPR-UHFFFAOYSA-N 2 2 244.766 2.753 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)[NH+](C)C ZINC000282681778 385781136 /nfs/dbraw/zinc/78/11/36/385781136.db2.gz ACNMZQRKXBUCPJ-VRKREXBASA-N 2 2 246.398 2.718 20 0 BFADLP Cc1ccccc1C1([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000647800439 385806864 /nfs/dbraw/zinc/80/68/64/385806864.db2.gz BCMYTJKVHLVXIQ-DZGCQCFKSA-N 2 2 244.382 2.714 20 0 BFADLP Cc1[nH+]c2ccccc2n1CC[NH2+]C[C@H]1C[C@@H]1C ZINC000488467789 385809934 /nfs/dbraw/zinc/80/99/34/385809934.db2.gz XGCJINPHQSUDAG-WCQYABFASA-N 2 2 243.354 2.590 20 0 BFADLP Cc1cccc(C)c1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414954440 385836242 /nfs/dbraw/zinc/83/62/42/385836242.db2.gz MWPWDIVAEOCVES-ZFWWWQNUSA-N 2 2 232.371 2.534 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+](C)C)C1C(C)(C)C1(C)C ZINC000336717898 385841518 /nfs/dbraw/zinc/84/15/18/385841518.db2.gz XBXDZVPCMYVXMY-WDEREUQCSA-N 2 2 226.408 2.597 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@@H+](C[C@@H]3CC=CCC3)C2)[nH]1 ZINC000271120290 385790880 /nfs/dbraw/zinc/79/08/80/385790880.db2.gz JHJJTGYCOREAIY-KGLIPLIRSA-N 2 2 245.370 2.945 20 0 BFADLP c1c[nH+]c([C@H]2CCC[N@H+](C[C@@H]3CC=CCC3)C2)[nH]1 ZINC000271120290 385790882 /nfs/dbraw/zinc/79/08/82/385790882.db2.gz JHJJTGYCOREAIY-KGLIPLIRSA-N 2 2 245.370 2.945 20 0 BFADLP CC(C)CC(C)(C)C[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000309691976 385794257 /nfs/dbraw/zinc/79/42/57/385794257.db2.gz QAXTVZJGXLXCTI-STQMWFEESA-N 2 2 226.408 2.598 20 0 BFADLP CC(C)CC(C)(C)C[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000309691976 385794258 /nfs/dbraw/zinc/79/42/58/385794258.db2.gz QAXTVZJGXLXCTI-STQMWFEESA-N 2 2 226.408 2.598 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1csc2ccccc12 ZINC000414962206 385891720 /nfs/dbraw/zinc/89/17/20/385891720.db2.gz SHEZTKHDPUOCHZ-LLVKDONJSA-N 2 2 248.395 2.989 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000337984856 385867774 /nfs/dbraw/zinc/86/77/74/385867774.db2.gz BYGVKKFBRBAMIV-SHPPOPEUSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000337984856 385867777 /nfs/dbraw/zinc/86/77/77/385867777.db2.gz BYGVKKFBRBAMIV-SHPPOPEUSA-N 2 2 248.414 2.780 20 0 BFADLP CCCC[NH2+][C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000284419557 385869675 /nfs/dbraw/zinc/86/96/75/385869675.db2.gz XUAWACXWUNITLV-GJZGRUSLSA-N 2 2 232.371 2.822 20 0 BFADLP CCCC[NH2+][C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000284419557 385869679 /nfs/dbraw/zinc/86/96/79/385869679.db2.gz XUAWACXWUNITLV-GJZGRUSLSA-N 2 2 232.371 2.822 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[N@H+](C)C1CC1 ZINC000337989864 385870534 /nfs/dbraw/zinc/87/05/34/385870534.db2.gz RMZKRYVPPOFZRF-BYCMXARLSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CCC1)[N@@H+](C)C1CC1 ZINC000337989864 385870536 /nfs/dbraw/zinc/87/05/36/385870536.db2.gz RMZKRYVPPOFZRF-BYCMXARLSA-N 2 2 236.403 2.637 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000337993455 385872174 /nfs/dbraw/zinc/87/21/74/385872174.db2.gz HNCJBUYNABQMJA-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H]1C1CCC1)C1CC1 ZINC000337993455 385872178 /nfs/dbraw/zinc/87/21/78/385872178.db2.gz HNCJBUYNABQMJA-LSDHHAIUSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000335042644 385936311 /nfs/dbraw/zinc/93/63/11/385936311.db2.gz UETXJFRZGANDPF-QWHCGFSZSA-N 2 2 244.338 2.711 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c1 ZINC000285574245 385942272 /nfs/dbraw/zinc/94/22/72/385942272.db2.gz ICVZZVFOUIQDQD-AWEZNQCLSA-N 2 2 249.402 2.771 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c1 ZINC000285574245 385942279 /nfs/dbraw/zinc/94/22/79/385942279.db2.gz ICVZZVFOUIQDQD-AWEZNQCLSA-N 2 2 249.402 2.771 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000414967536 385947390 /nfs/dbraw/zinc/94/73/90/385947390.db2.gz XOQQEQWEOFGRFL-CYBMUJFWSA-N 2 2 234.387 2.898 20 0 BFADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)[C@H]1C[C@H]1C ZINC000414088919 385954855 /nfs/dbraw/zinc/95/48/55/385954855.db2.gz BQGZNYNMMFPTRX-UGFHNGPFSA-N 2 2 232.371 2.957 20 0 BFADLP Cc1ccc(C[NH2+]CC[N@H+]2CC[C@H](C)C2)c(C)c1 ZINC000525800532 386024550 /nfs/dbraw/zinc/02/45/50/386024550.db2.gz IKXPFFZVQJSSFR-AWEZNQCLSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)c(C)c1 ZINC000525800532 386024554 /nfs/dbraw/zinc/02/45/54/386024554.db2.gz IKXPFFZVQJSSFR-AWEZNQCLSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1ccc(C[NH2+]CC[N@H+]2CC[C@H](C)C2)cc1C ZINC000525800756 386030325 /nfs/dbraw/zinc/03/03/25/386030325.db2.gz GFQXCNNACVFXRT-ZDUSSCGKSA-N 2 2 246.398 2.735 20 0 BFADLP Cc1ccc(C[NH2+]CC[N@@H+]2CC[C@H](C)C2)cc1C ZINC000525800756 386030329 /nfs/dbraw/zinc/03/03/29/386030329.db2.gz GFQXCNNACVFXRT-ZDUSSCGKSA-N 2 2 246.398 2.735 20 0 BFADLP CC[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000222011644 386033297 /nfs/dbraw/zinc/03/32/97/386033297.db2.gz OLCQYZDRNYUBGN-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000222011644 386033303 /nfs/dbraw/zinc/03/33/03/386033303.db2.gz OLCQYZDRNYUBGN-ZIAGYGMSSA-N 2 2 226.408 2.743 20 0 BFADLP [NH3+]C1(C[NH2+]Cc2cc3cc(F)ccc3o2)CCC1 ZINC000414889259 386115404 /nfs/dbraw/zinc/11/54/04/386115404.db2.gz SHRNQGXAXSOITL-UHFFFAOYSA-N 2 2 248.301 2.543 20 0 BFADLP CCCc1cccc(C[N@@H+]2CCC[C@@H]2C[NH2+]C)c1 ZINC000414659607 386088178 /nfs/dbraw/zinc/08/81/78/386088178.db2.gz LHHKRMBDCUUZNU-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1cccc(C[N@H+]2CCC[C@@H]2C[NH2+]C)c1 ZINC000414659607 386088186 /nfs/dbraw/zinc/08/81/86/386088186.db2.gz LHHKRMBDCUUZNU-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1cccc(C[N@@H+]2CCC[C@H]2C[NH2+]C)c1 ZINC000414659605 386088727 /nfs/dbraw/zinc/08/87/27/386088727.db2.gz LHHKRMBDCUUZNU-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCCc1cccc(C[N@H+]2CCC[C@H]2C[NH2+]C)c1 ZINC000414659605 386088731 /nfs/dbraw/zinc/08/87/31/386088731.db2.gz LHHKRMBDCUUZNU-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+]Cc1cc2cc(C)c(C)cc2o1 ZINC000414984573 386094632 /nfs/dbraw/zinc/09/46/32/386094632.db2.gz VBMYKZBNVURCMA-CYBMUJFWSA-N 2 2 246.354 2.877 20 0 BFADLP C[N@@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000346167978 386173812 /nfs/dbraw/zinc/17/38/12/386173812.db2.gz HMHMEYIACDLEOT-UHFFFAOYSA-N 2 2 247.367 2.776 20 0 BFADLP C[N@H+](Cc1cc(-n2cc[nH+]c2)cs1)CC1CC1 ZINC000346167978 386173817 /nfs/dbraw/zinc/17/38/17/386173817.db2.gz HMHMEYIACDLEOT-UHFFFAOYSA-N 2 2 247.367 2.776 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)c2ccccc2)C1 ZINC000414333398 386127434 /nfs/dbraw/zinc/12/74/34/386127434.db2.gz FISAWHRNAQJVBR-LZWOXQAQSA-N 2 2 246.398 2.862 20 0 BFADLP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)c2ccccc2)C1 ZINC000414333398 386127440 /nfs/dbraw/zinc/12/74/40/386127440.db2.gz FISAWHRNAQJVBR-LZWOXQAQSA-N 2 2 246.398 2.862 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1C/C=C/c1ccc(F)cc1 ZINC000347063633 386212914 /nfs/dbraw/zinc/21/29/14/386212914.db2.gz CHAIZKWNRPBTOE-TXTHVTMNSA-N 2 2 248.345 2.523 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1C/C=C/c1ccc(F)cc1 ZINC000347063633 386212920 /nfs/dbraw/zinc/21/29/20/386212920.db2.gz CHAIZKWNRPBTOE-TXTHVTMNSA-N 2 2 248.345 2.523 20 0 BFADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccsc2)c2ccccc21 ZINC000132101641 386219952 /nfs/dbraw/zinc/21/99/52/386219952.db2.gz FNBUJTUNJDAPTL-UONOGXRCSA-N 2 2 244.363 2.983 20 0 BFADLP CCC[C@H](CC)[NH2+]CC[NH+]1CCCCC1 ZINC000125141464 386229763 /nfs/dbraw/zinc/22/97/63/386229763.db2.gz XELQMNZKMJNTDR-ZDUSSCGKSA-N 2 2 212.381 2.641 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)CCC2 ZINC000339067902 386231823 /nfs/dbraw/zinc/23/18/23/386231823.db2.gz HWFOIONLRPMJDJ-CJNGLKHVSA-N 2 2 246.398 2.912 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](C)[NH+](C)C)CCC2 ZINC000339067906 386233286 /nfs/dbraw/zinc/23/32/86/386233286.db2.gz HWFOIONLRPMJDJ-XJKSGUPXSA-N 2 2 246.398 2.912 20 0 BFADLP CC(C)(C)[NH2+]CC[NH2+]C1(c2ccccc2)CC1 ZINC000414715911 386241345 /nfs/dbraw/zinc/24/13/45/386241345.db2.gz XKKVNBFBVOEJBC-UHFFFAOYSA-N 2 2 232.371 2.653 20 0 BFADLP C[C@H](CC[NH2+]CC1([NH+](C)C)CC1)c1ccccc1 ZINC000397856442 386242986 /nfs/dbraw/zinc/24/29/86/386242986.db2.gz MLBQOCSVZBKRFO-CQSZACIVSA-N 2 2 246.398 2.864 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+](C)C(C)C ZINC000288955853 386244843 /nfs/dbraw/zinc/24/48/43/386244843.db2.gz AORSPSQTDPKIQD-UHFFFAOYSA-N 2 2 206.333 2.663 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+](C)C(C)C ZINC000288955853 386244846 /nfs/dbraw/zinc/24/48/46/386244846.db2.gz AORSPSQTDPKIQD-UHFFFAOYSA-N 2 2 206.333 2.663 20 0 BFADLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2s1 ZINC000347091744 386245477 /nfs/dbraw/zinc/24/54/77/386245477.db2.gz GEBZCXWXYYINOV-GFCCVEGCSA-N 2 2 246.379 2.824 20 0 BFADLP [NH3+]C[C@H]1CCC[N@H+]1Cc1cc2ccccc2s1 ZINC000347091744 386245481 /nfs/dbraw/zinc/24/54/81/386245481.db2.gz GEBZCXWXYYINOV-GFCCVEGCSA-N 2 2 246.379 2.824 20 0 BFADLP CCSCC[C@@H](C)[N@H+](C)CC[NH2+]C(C)(C)C ZINC000414695960 386196496 /nfs/dbraw/zinc/19/64/96/386196496.db2.gz AKOLJAYQTPFQAN-GFCCVEGCSA-N 2 2 246.464 2.838 20 0 BFADLP CCSCC[C@@H](C)[N@@H+](C)CC[NH2+]C(C)(C)C ZINC000414695960 386196501 /nfs/dbraw/zinc/19/65/01/386196501.db2.gz AKOLJAYQTPFQAN-GFCCVEGCSA-N 2 2 246.464 2.838 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C(C)(C)C)C[C@@H](C)C1 ZINC000414696952 386199244 /nfs/dbraw/zinc/19/92/44/386199244.db2.gz BTRSVAIZIPPIPE-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C(C)(C)C)C[C@@H](C)C1 ZINC000414696952 386199250 /nfs/dbraw/zinc/19/92/50/386199250.db2.gz BTRSVAIZIPPIPE-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000187082060 386302750 /nfs/dbraw/zinc/30/27/50/386302750.db2.gz OGHVXYCWINKENZ-MRXNPFEDSA-N 2 2 248.414 2.795 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000187082060 386302755 /nfs/dbraw/zinc/30/27/55/386302755.db2.gz OGHVXYCWINKENZ-MRXNPFEDSA-N 2 2 248.414 2.795 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000276488168 386331968 /nfs/dbraw/zinc/33/19/68/386331968.db2.gz PQBVKNPFUVEYGF-CVEARBPZSA-N 2 2 246.398 2.648 20 0 BFADLP Cc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)o1 ZINC000299304620 386437532 /nfs/dbraw/zinc/43/75/32/386437532.db2.gz CBZCMEOGZWPQAA-UHFFFAOYSA-N 2 2 248.370 2.695 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000094075048 386444234 /nfs/dbraw/zinc/44/42/34/386444234.db2.gz ZGVXBJUAKRUANW-TZMCWYRMSA-N 2 2 240.350 2.852 20 0 BFADLP CC[NH+](CC)CCC[N@H+](CC)Cc1ccncc1 ZINC000276980985 386397223 /nfs/dbraw/zinc/39/72/23/386397223.db2.gz YIHNRNNZFBKMRN-UHFFFAOYSA-N 2 2 249.402 2.635 20 0 BFADLP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccncc1 ZINC000276980985 386397226 /nfs/dbraw/zinc/39/72/26/386397226.db2.gz YIHNRNNZFBKMRN-UHFFFAOYSA-N 2 2 249.402 2.635 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000414758036 386405481 /nfs/dbraw/zinc/40/54/81/386405481.db2.gz BNPAVASVFSRELQ-OLZOCXBDSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000414758036 386405483 /nfs/dbraw/zinc/40/54/83/386405483.db2.gz BNPAVASVFSRELQ-OLZOCXBDSA-N 2 2 226.408 2.870 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC000417353534 386490085 /nfs/dbraw/zinc/49/00/85/386490085.db2.gz JFWWRJMJOUTYAH-ZIAGYGMSSA-N 2 2 236.403 2.639 20 0 BFADLP CCCC[C@H](C)[C@H](C)[NH2+]CC1([NH+](C)C)CC1 ZINC000417354551 386493184 /nfs/dbraw/zinc/49/31/84/386493184.db2.gz MENFKYFEQGBFLD-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1sccc1Cl ZINC000415049887 386505877 /nfs/dbraw/zinc/50/58/77/386505877.db2.gz BTSBLIATPUBQBS-SNVBAGLBSA-N 2 2 246.807 2.865 20 0 BFADLP CC[C@H]([NH2+]CCC[NH+](C)C)c1ccccc1F ZINC000163454188 386522025 /nfs/dbraw/zinc/52/20/25/386522025.db2.gz ZCUJZIBKCUPFFA-AWEZNQCLSA-N 2 2 238.350 2.818 20 0 BFADLP Cc1cccc(C[NH2+][C@H]2CC[NH2+]C2(C)C)c1C ZINC000415042891 386530387 /nfs/dbraw/zinc/53/03/87/386530387.db2.gz QWUBKJFNYYODDP-AWEZNQCLSA-N 2 2 232.371 2.534 20 0 BFADLP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccccc1Cl ZINC000415053302 386534485 /nfs/dbraw/zinc/53/44/85/386534485.db2.gz MKXIRXOUYKGHPY-LBPRGKRZSA-N 2 2 240.778 2.803 20 0 BFADLP CC(C)=CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267411935 386539769 /nfs/dbraw/zinc/53/97/69/386539769.db2.gz IMFZUUXQEOJDJF-LBPRGKRZSA-N 2 2 219.332 2.555 20 0 BFADLP CC(C)=CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267411935 386539772 /nfs/dbraw/zinc/53/97/72/386539772.db2.gz IMFZUUXQEOJDJF-LBPRGKRZSA-N 2 2 219.332 2.555 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)c(C)c1 ZINC000415063584 386544700 /nfs/dbraw/zinc/54/47/00/386544700.db2.gz AJNKXXSKYGZZND-OAHLLOKOSA-N 2 2 232.371 2.535 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000063191489 386553241 /nfs/dbraw/zinc/55/32/41/386553241.db2.gz GHDJLQPJIYYEJQ-BXUZGUMPSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000063191489 386553245 /nfs/dbraw/zinc/55/32/45/386553245.db2.gz GHDJLQPJIYYEJQ-BXUZGUMPSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC000063191666 386553413 /nfs/dbraw/zinc/55/34/13/386553413.db2.gz OGRDASQRJXCHPM-JSGCOSHPSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CCCCC1 ZINC000063191666 386553416 /nfs/dbraw/zinc/55/34/16/386553416.db2.gz OGRDASQRJXCHPM-JSGCOSHPSA-N 2 2 224.392 2.768 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCCC[NH2+]C1)c1cccc(F)c1 ZINC000335498161 386623261 /nfs/dbraw/zinc/62/32/61/386623261.db2.gz DZNMYOMMKPXYIL-RISCZKNCSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccs1 ZINC000335498198 386623362 /nfs/dbraw/zinc/62/33/62/386623362.db2.gz FNSFOHPMUZDPNR-GHMZBOCLSA-N 2 2 224.373 2.541 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCCC[NH2+]C1)c1cccs1 ZINC000335498201 386623540 /nfs/dbraw/zinc/62/35/40/386623540.db2.gz FNSFOHPMUZDPNR-WDEREUQCSA-N 2 2 224.373 2.541 20 0 BFADLP CC1(C)CC([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000336758319 386632533 /nfs/dbraw/zinc/63/25/33/386632533.db2.gz ZOKRTIHDUCOLLD-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC1(C)CCC[NH2+][C@H]1C[NH2+]Cc1cccs1 ZINC000232982728 386682199 /nfs/dbraw/zinc/68/21/99/386682199.db2.gz KIOMRRGIEIEGTE-LBPRGKRZSA-N 2 2 238.400 2.616 20 0 BFADLP CC1(C)CCC[C@H]1[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414826855 386686911 /nfs/dbraw/zinc/68/69/11/386686911.db2.gz GISBPHUCDVGRIR-UONOGXRCSA-N 2 2 232.371 2.855 20 0 BFADLP CCc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)o1 ZINC000268829715 386701586 /nfs/dbraw/zinc/70/15/86/386701586.db2.gz QRPVLDHUAPKVQG-NWDGAFQWSA-N 2 2 247.342 2.778 20 0 BFADLP CC(C)[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000043326136 386703724 /nfs/dbraw/zinc/70/37/24/386703724.db2.gz AUROCZGUZLNTHN-HUUCEWRRSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cc2ccccc2o1 ZINC000043326511 386704927 /nfs/dbraw/zinc/70/49/27/386704927.db2.gz DRBDFYIAQPFTLX-WCQYABFASA-N 2 2 244.338 2.835 20 0 BFADLP CC(C)C[C@H](C)C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414829907 386705901 /nfs/dbraw/zinc/70/59/01/386705901.db2.gz LIVMDFISBMIHRE-DZGCQCFKSA-N 2 2 234.387 2.958 20 0 BFADLP CC(C)C[C@@H](C)C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414829909 386707236 /nfs/dbraw/zinc/70/72/36/386707236.db2.gz LIVMDFISBMIHRE-HIFRSBDPSA-N 2 2 234.387 2.958 20 0 BFADLP CC(C)C[C@H](C[NH3+])[NH2+]Cc1sccc1Cl ZINC000414837817 386736310 /nfs/dbraw/zinc/73/63/10/386736310.db2.gz KCTIOMWPUOPIIO-SECBINFHSA-N 2 2 246.807 2.865 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2o1 ZINC000044539826 386723556 /nfs/dbraw/zinc/72/35/56/386723556.db2.gz MYHQBMNRJVZXJB-ZDUSSCGKSA-N 2 2 244.338 2.746 20 0 BFADLP [NH3+]C[C@@H]1CCCC[N@H+]1Cc1cc2ccccc2o1 ZINC000044539826 386723563 /nfs/dbraw/zinc/72/35/63/386723563.db2.gz MYHQBMNRJVZXJB-ZDUSSCGKSA-N 2 2 244.338 2.746 20 0 BFADLP Cc1c[nH+]ccc1NCc1[nH+]ccn1CC(C)C ZINC000191981245 386726808 /nfs/dbraw/zinc/72/68/08/386726808.db2.gz PHJGTRCYIDGFFN-UHFFFAOYSA-N 2 2 244.342 2.855 20 0 BFADLP Cc1ccc2cc[nH+]c(NC[C@@H](C)[NH+](C)C)c2c1 ZINC000645138845 386746650 /nfs/dbraw/zinc/74/66/50/386746650.db2.gz DZLJQAQAPGKLOJ-GFCCVEGCSA-N 2 2 243.354 2.905 20 0 BFADLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000414930199 386749324 /nfs/dbraw/zinc/74/93/24/386749324.db2.gz OUMQALMFJBQWKI-LRDDRELGSA-N 2 2 244.382 2.652 20 0 BFADLP Cc1ccc(F)c(C[NH2+][C@@H](C[NH3+])CC(C)C)c1 ZINC000414841142 386752416 /nfs/dbraw/zinc/75/24/16/386752416.db2.gz MZVAWBKJMDJWFB-CYBMUJFWSA-N 2 2 238.350 2.597 20 0 BFADLP [NH3+][C@H](C[NH2+][C@@H]1CCC[C@@H]1C1CC1)c1ccccc1 ZINC000414842822 386754865 /nfs/dbraw/zinc/75/48/65/386754865.db2.gz ZPIHDPPMCMPEMN-BZUAXINKSA-N 2 2 244.382 2.855 20 0 BFADLP c1c2ccccc2sc1C[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414843626 386764228 /nfs/dbraw/zinc/76/42/28/386764228.db2.gz JVVIMZGPXLAZGE-GFCCVEGCSA-N 2 2 246.379 2.743 20 0 BFADLP c1cn(CCC[NH2+][C@@H]2CCCC23CCCC3)c[nH+]1 ZINC000328133346 386839842 /nfs/dbraw/zinc/83/98/42/386839842.db2.gz XFRFHVNOECIQPI-CQSZACIVSA-N 2 2 247.386 2.976 20 0 BFADLP C[NH2+]CCC[N@H+](C)Cc1cc(F)ccc1Cl ZINC000165971186 386840910 /nfs/dbraw/zinc/84/09/10/386840910.db2.gz MKBAYXKSKVTVRO-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP C[NH2+]CCC[N@@H+](C)Cc1cc(F)ccc1Cl ZINC000165971186 386840917 /nfs/dbraw/zinc/84/09/17/386840917.db2.gz MKBAYXKSKVTVRO-UHFFFAOYSA-N 2 2 244.741 2.520 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C/C=C\c1ccc(F)cc1 ZINC000414936824 386841013 /nfs/dbraw/zinc/84/10/13/386841013.db2.gz DESJLNNESDIXNG-PHDHCRPCSA-N 2 2 248.345 2.569 20 0 BFADLP CC(C)[N@H+]1C[C@H]([NH2+]C2CC3(CCC3)C2)[C@@H](C)C1 ZINC000334844603 386891980 /nfs/dbraw/zinc/89/19/80/386891980.db2.gz JNCXCOKLGIGDAV-JSGCOSHPSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)[N@@H+]1C[C@H]([NH2+]C2CC3(CCC3)C2)[C@@H](C)C1 ZINC000334844603 386891983 /nfs/dbraw/zinc/89/19/83/386891983.db2.gz JNCXCOKLGIGDAV-JSGCOSHPSA-N 2 2 236.403 2.637 20 0 BFADLP Cc1cc[nH+]c(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000301647266 386863625 /nfs/dbraw/zinc/86/36/25/386863625.db2.gz QBWJJYQAKNGVHH-KBPBESRZSA-N 2 2 247.386 2.922 20 0 BFADLP Cc1cc[nH+]c(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000301647266 386863628 /nfs/dbraw/zinc/86/36/28/386863628.db2.gz QBWJJYQAKNGVHH-KBPBESRZSA-N 2 2 247.386 2.922 20 0 BFADLP CCCc1cccc(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414939765 386864488 /nfs/dbraw/zinc/86/44/88/386864488.db2.gz XDICLBHPURURSH-BBRMVZONSA-N 2 2 246.398 2.727 20 0 BFADLP CCC1CCC([NH2+][C@@H]2C[N@H+](CC)C[C@@H]2C)CC1 ZINC000340440268 386876488 /nfs/dbraw/zinc/87/64/88/386876488.db2.gz WOXBJEBGYVOSME-VXGQWTEUSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CCC([NH2+][C@@H]2C[N@@H+](CC)C[C@@H]2C)CC1 ZINC000340440268 386876493 /nfs/dbraw/zinc/87/64/93/386876493.db2.gz WOXBJEBGYVOSME-VXGQWTEUSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000336745191 386885046 /nfs/dbraw/zinc/88/50/46/386885046.db2.gz BBIVNUVGGCYBAI-OLZOCXBDSA-N 2 2 212.381 2.661 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000358226525 386915735 /nfs/dbraw/zinc/91/57/35/386915735.db2.gz TWEDNIOYXVTTFH-VBNZEHGJSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000358226525 386915739 /nfs/dbraw/zinc/91/57/39/386915739.db2.gz TWEDNIOYXVTTFH-VBNZEHGJSA-N 2 2 244.382 2.522 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000352907131 386956992 /nfs/dbraw/zinc/95/69/92/386956992.db2.gz YSKSAAXJMZCJLA-JMSVASOKSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C1CCCC1 ZINC000352907131 386956998 /nfs/dbraw/zinc/95/69/98/386956998.db2.gz YSKSAAXJMZCJLA-JMSVASOKSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[NH+]1CCC(C)CC1)C1CC1 ZINC000119057322 387090355 /nfs/dbraw/zinc/09/03/55/387090355.db2.gz QBPRFKXTIZSCNZ-DZGCQCFKSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC000423307603 387144380 /nfs/dbraw/zinc/14/43/80/387144380.db2.gz HJJJMERVAHNPGU-NSHDSACASA-N 2 2 240.778 2.990 20 0 BFADLP CC(C)=CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000359691067 387146762 /nfs/dbraw/zinc/14/67/62/387146762.db2.gz XQKIIWAXQOKFSQ-UHFFFAOYSA-N 2 2 247.367 2.990 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000423311741 387147989 /nfs/dbraw/zinc/14/79/89/387147989.db2.gz QGWHTZBAMZWISM-NSHDSACASA-N 2 2 240.778 2.990 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000423312195 387149124 /nfs/dbraw/zinc/14/91/24/387149124.db2.gz RMDIRPSKQXCRND-OAHLLOKOSA-N 2 2 234.387 2.973 20 0 BFADLP CCC[NH2+]CC[NH2+][C@@H](CC)c1ccccc1F ZINC000423314808 387153828 /nfs/dbraw/zinc/15/38/28/387153828.db2.gz WNYCUPZNHYLJFJ-AWEZNQCLSA-N 2 2 238.350 2.866 20 0 BFADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cccc2[nH+]ccn21 ZINC000418135017 387154729 /nfs/dbraw/zinc/15/47/29/387154729.db2.gz QNVOPWITDCEAER-FRRDWIJNSA-N 2 2 243.354 2.811 20 0 BFADLP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cccc2[nH+]ccn21 ZINC000418135017 387154738 /nfs/dbraw/zinc/15/47/38/387154738.db2.gz QNVOPWITDCEAER-FRRDWIJNSA-N 2 2 243.354 2.811 20 0 BFADLP CC[N@H+](CCn1cc[nH+]c1)[C@@H]1CCCC[C@@H]1C ZINC000120108580 387173536 /nfs/dbraw/zinc/17/35/36/387173536.db2.gz IJKYATGENVOWGJ-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CC[N@@H+](CCn1cc[nH+]c1)[C@@H]1CCCC[C@@H]1C ZINC000120108580 387173538 /nfs/dbraw/zinc/17/35/38/387173538.db2.gz IJKYATGENVOWGJ-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)C1CCC(F)(F)CC1)[NH+](C)C ZINC000353310978 387176423 /nfs/dbraw/zinc/17/64/23/387176423.db2.gz GNJIUMNCKHGKHW-MNOVXSKESA-N 2 2 248.361 2.740 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccccc1 ZINC000089553382 387178259 /nfs/dbraw/zinc/17/82/59/387178259.db2.gz JNOMWVFFYLZPTP-NFAWXSAZSA-N 2 2 244.382 2.962 20 0 BFADLP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccccc1 ZINC000089553382 387178265 /nfs/dbraw/zinc/17/82/65/387178265.db2.gz JNOMWVFFYLZPTP-NFAWXSAZSA-N 2 2 244.382 2.962 20 0 BFADLP Cc1ccc([C@@H]([NH2+]CC2([NH3+])CCC2)C2CCC2)o1 ZINC000423333700 387181703 /nfs/dbraw/zinc/18/17/03/387181703.db2.gz SCKLPZSRROJQNI-AWEZNQCLSA-N 2 2 248.370 2.900 20 0 BFADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC000423336233 387184591 /nfs/dbraw/zinc/18/45/91/387184591.db2.gz UHBQCLBAJMHCES-BDAKNGLRSA-N 2 2 241.404 2.573 20 0 BFADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000120166600 387190862 /nfs/dbraw/zinc/19/08/62/387190862.db2.gz LCHSLZBUOGUKKD-CYBMUJFWSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000120166600 387190865 /nfs/dbraw/zinc/19/08/65/387190865.db2.gz LCHSLZBUOGUKKD-CYBMUJFWSA-N 2 2 247.386 2.617 20 0 BFADLP Cc1cccn2c(C[NH2+]C[C@H]3CC34CC4)c[nH+]c12 ZINC000418104554 387133583 /nfs/dbraw/zinc/13/35/83/387133583.db2.gz XAXYOROOLSVTEG-GFCCVEGCSA-N 2 2 241.338 2.532 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1cc(C)oc1C ZINC000423305400 387139010 /nfs/dbraw/zinc/13/90/10/387139010.db2.gz BPMAMJYSPJUCDV-LLVKDONJSA-N 2 2 224.348 2.547 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000423305452 387139031 /nfs/dbraw/zinc/13/90/31/387139031.db2.gz BXOGUBNALQHWGP-CQSZACIVSA-N 2 2 234.387 2.954 20 0 BFADLP Cc1c[nH+]c(CNc2cc(C3CC3)cc[nH+]2)n1C ZINC000353115359 387140729 /nfs/dbraw/zinc/14/07/29/387140729.db2.gz LHBVMGCGNRTKTO-UHFFFAOYSA-N 2 2 242.326 2.613 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1C)CC2 ZINC000423359508 387210768 /nfs/dbraw/zinc/21/07/68/387210768.db2.gz KSIRHTRTMOOOCU-MAZHCROVSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2)o1 ZINC000423362356 387213465 /nfs/dbraw/zinc/21/34/65/387213465.db2.gz HNZDQFRWRZJORL-RYUDHWBXSA-N 2 2 244.338 2.944 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000423367859 387221433 /nfs/dbraw/zinc/22/14/33/387221433.db2.gz RNFLQQRGRYSQTC-YDHLFZDLSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000423367842 387221769 /nfs/dbraw/zinc/22/17/69/387221769.db2.gz RNFLQQRGRYSQTC-IPYPFGDCSA-N 2 2 232.371 2.644 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H]1c2ccccc2C[C@@H]1C ZINC000423370944 387223623 /nfs/dbraw/zinc/22/36/23/387223623.db2.gz FBKRNVMNMYKHGO-YWPYICTPSA-N 2 2 232.371 2.508 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000423372449 387226292 /nfs/dbraw/zinc/22/62/92/387226292.db2.gz GJIBOSLJVOLRFF-IUODEOHRSA-N 2 2 246.398 2.997 20 0 BFADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423373088 387227659 /nfs/dbraw/zinc/22/76/59/387227659.db2.gz WESJUKNWPSEIOI-ZMLRMANQSA-N 2 2 238.400 2.705 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@H](CC)c1cccc(F)c1 ZINC000423373543 387230376 /nfs/dbraw/zinc/23/03/76/387230376.db2.gz HHJHYKBAKPECAL-BXUZGUMPSA-N 2 2 238.350 2.864 20 0 BFADLP C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000336406163 387236564 /nfs/dbraw/zinc/23/65/64/387236564.db2.gz YYZHDPSJUQWHLN-GXFFZTMASA-N 2 2 238.762 2.824 20 0 BFADLP C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1 ZINC000336406163 387236568 /nfs/dbraw/zinc/23/65/68/387236568.db2.gz YYZHDPSJUQWHLN-GXFFZTMASA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000336406083 387237078 /nfs/dbraw/zinc/23/70/78/387237078.db2.gz XWSYAPNEQDXIDV-ZWNOBZJWSA-N 2 2 238.762 2.824 20 0 BFADLP C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccccc1Cl ZINC000336406083 387237084 /nfs/dbraw/zinc/23/70/84/387237084.db2.gz XWSYAPNEQDXIDV-ZWNOBZJWSA-N 2 2 238.762 2.824 20 0 BFADLP CC[C@H]1CCCC[C@H]1[N@H+](C)CCn1cc[nH+]c1 ZINC000120819926 387196765 /nfs/dbraw/zinc/19/67/65/387196765.db2.gz UHQLFLZHBOIUJX-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@H]1CCCC[C@H]1[N@@H+](C)CCn1cc[nH+]c1 ZINC000120819926 387196769 /nfs/dbraw/zinc/19/67/69/387196769.db2.gz UHQLFLZHBOIUJX-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC000423375602 387258190 /nfs/dbraw/zinc/25/81/90/387258190.db2.gz UHBQCLBAJMHCES-IUCAKERBSA-N 2 2 241.404 2.573 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000423383399 387264379 /nfs/dbraw/zinc/26/43/79/387264379.db2.gz PCCXTIVYRMQFHZ-UKRRQHHQSA-N 2 2 234.387 2.971 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000423383371 387266091 /nfs/dbraw/zinc/26/60/91/387266091.db2.gz PBLHOQRZXCCVCA-IUODEOHRSA-N 2 2 232.371 2.652 20 0 BFADLP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000423388114 387272833 /nfs/dbraw/zinc/27/28/33/387272833.db2.gz TTWYSPGTCQEUJU-IUODEOHRSA-N 2 2 232.371 2.570 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)C(C)(C)C ZINC000423430756 387281702 /nfs/dbraw/zinc/28/17/02/387281702.db2.gz QCWLZRGJIMUAEA-WFASDCNBSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@H]([NH2+]C[C@H]1[NH2+]CCc2ccccc21)C(C)(C)C ZINC000423430755 387282020 /nfs/dbraw/zinc/28/20/20/387282020.db2.gz QCWLZRGJIMUAEA-SWLSCSKDSA-N 2 2 246.398 2.898 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[NH2+]CCc2ccccc21)[C@H]1C[C@H]1C ZINC000423437958 387287853 /nfs/dbraw/zinc/28/78/53/387287853.db2.gz USAMYEVOFSXOOL-KNPMLCFXSA-N 2 2 244.382 2.508 20 0 BFADLP CCC1CC([NH2+]C[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000423437942 387288717 /nfs/dbraw/zinc/28/87/17/387288717.db2.gz UQQKMVCEHHPRLO-PXCJXSSVSA-N 2 2 244.382 2.652 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CC[C@@H](F)C3)n2c1 ZINC000336493449 387318388 /nfs/dbraw/zinc/31/83/88/387318388.db2.gz YEUSZGHWPKNPQZ-NEPJUHHUSA-N 2 2 247.317 2.623 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+](C)Cc1ccccc1)[C@H]1C[C@H]1C ZINC000321702145 387294180 /nfs/dbraw/zinc/29/41/80/387294180.db2.gz UDCWUJTWNMHCTH-FMKPAKJESA-N 2 2 246.398 2.753 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+](C)Cc1ccccc1)[C@H]1C[C@H]1C ZINC000321702145 387294183 /nfs/dbraw/zinc/29/41/83/387294183.db2.gz UDCWUJTWNMHCTH-FMKPAKJESA-N 2 2 246.398 2.753 20 0 BFADLP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423452762 387299691 /nfs/dbraw/zinc/29/96/91/387299691.db2.gz WWDBOCUTYFPCAT-VGMNWLOBSA-N 2 2 244.741 2.865 20 0 BFADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)C1C(C)(C)C1(C)C ZINC000353940941 387302207 /nfs/dbraw/zinc/30/22/07/387302207.db2.gz DOZSYPRFSCEYJB-LLVKDONJSA-N 2 2 235.375 2.543 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)C1C(C)(C)C1(C)C ZINC000353933881 387302491 /nfs/dbraw/zinc/30/24/91/387302491.db2.gz WTQUVOCCWCCBAA-NWDGAFQWSA-N 2 2 249.402 2.932 20 0 BFADLP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000423472444 387318735 /nfs/dbraw/zinc/31/87/35/387318735.db2.gz QEBWCLXWBSTLAA-WCQYABFASA-N 2 2 243.354 2.623 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000423458434 387306035 /nfs/dbraw/zinc/30/60/35/387306035.db2.gz GXGNSNFILGABIT-PWSUYJOCSA-N 2 2 232.327 2.821 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](CC)c1ccccc1F ZINC000423458212 387306057 /nfs/dbraw/zinc/30/60/57/387306057.db2.gz GQYQEOWTWBFQSN-GWCFXTLKSA-N 2 2 224.323 2.604 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1Cl ZINC000423461014 387307903 /nfs/dbraw/zinc/30/79/03/387307903.db2.gz JFQKDPASVAWRAD-WPRPVWTQSA-N 2 2 244.741 2.867 20 0 BFADLP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)cc1Cl ZINC000423461012 387308416 /nfs/dbraw/zinc/30/84/16/387308416.db2.gz JFQKDPASVAWRAD-SCZZXKLOSA-N 2 2 244.741 2.867 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000643501867 387354842 /nfs/dbraw/zinc/35/48/42/387354842.db2.gz RHDGYZBHSWCOKC-KBPBESRZSA-N 2 2 247.386 2.655 20 0 BFADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502181 387355766 /nfs/dbraw/zinc/35/57/66/387355766.db2.gz ZHIUGXDGRBWVEN-XNRPHZJLSA-N 2 2 244.382 2.652 20 0 BFADLP CC(C)[C@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1cccnc1 ZINC000643502079 387356892 /nfs/dbraw/zinc/35/68/92/387356892.db2.gz XCRZCFMDYITQDO-CABCVRRESA-N 2 2 247.386 2.510 20 0 BFADLP Cc1ccc(CCC[NH2+]C[C@H]2CC2(C)C)c[nH+]1 ZINC000354351097 387363803 /nfs/dbraw/zinc/36/38/03/387363803.db2.gz JNIQDWVPRARPDZ-CQSZACIVSA-N 2 2 232.371 2.958 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC000423553769 387373851 /nfs/dbraw/zinc/37/38/51/387373851.db2.gz KZGJYGVKZHMJNY-UKRRQHHQSA-N 2 2 232.371 2.788 20 0 BFADLP CCc1ccccc1[C@H]([NH3+])C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000423497880 387340930 /nfs/dbraw/zinc/34/09/30/387340930.db2.gz HNNPNVUCQGOEJW-UAXWRAGISA-N 2 2 246.398 2.883 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000423507786 387345939 /nfs/dbraw/zinc/34/59/39/387345939.db2.gz QKRDEGLHRNGEAV-WFASDCNBSA-N 2 2 247.386 2.558 20 0 BFADLP CC(C)Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 ZINC000084566469 387455959 /nfs/dbraw/zinc/45/59/59/387455959.db2.gz ULCZHTBNZRMSQO-MRXNPFEDSA-N 2 2 246.398 2.727 20 0 BFADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)c1ccc2c(c1)CCC2 ZINC000643506327 387457806 /nfs/dbraw/zinc/45/78/06/387457806.db2.gz SBOGGCGZMQUITQ-GFCCVEGCSA-N 2 2 244.382 2.578 20 0 BFADLP C[C@H]([NH2+]CC[NH+]1CCCC1)C1C(C)(C)C1(C)C ZINC000354575769 387397417 /nfs/dbraw/zinc/39/74/17/387397417.db2.gz UUIFXCNSFOGYEY-LBPRGKRZSA-N 2 2 238.419 2.743 20 0 BFADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC[NH2+]C2CC2)c1 ZINC000643506340 387460480 /nfs/dbraw/zinc/46/04/80/387460480.db2.gz SIWPPATXTQSGOR-CYBMUJFWSA-N 2 2 232.371 2.706 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCC[C@@H]1F ZINC000354657154 387412940 /nfs/dbraw/zinc/41/29/40/387412940.db2.gz PLHSZJKDVUIKFH-UONOGXRCSA-N 2 2 236.334 2.803 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCC[C@@H]1F ZINC000354657152 387413286 /nfs/dbraw/zinc/41/32/86/387413286.db2.gz PLHSZJKDVUIKFH-KBPBESRZSA-N 2 2 236.334 2.803 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C[N@@H+]1C1CC1 ZINC000324671652 387499517 /nfs/dbraw/zinc/49/95/17/387499517.db2.gz LARDKAAQNXUWPF-DIOULYMOSA-N 2 2 248.414 2.780 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H](C2CC2)C2CCC2)C[N@H+]1C1CC1 ZINC000324671652 387499518 /nfs/dbraw/zinc/49/95/18/387499518.db2.gz LARDKAAQNXUWPF-DIOULYMOSA-N 2 2 248.414 2.780 20 0 BFADLP CCC[C@@H]([NH2+]CC[NH+]1CCCC1)C1CCC1 ZINC000322720168 259714273 /nfs/dbraw/zinc/71/42/73/259714273.db2.gz SUAHTFSYNOSXKK-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000165268810 387518095 /nfs/dbraw/zinc/51/80/95/387518095.db2.gz WAWLJSMHZHJYSU-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000165268810 387518101 /nfs/dbraw/zinc/51/81/01/387518101.db2.gz WAWLJSMHZHJYSU-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP c1ccc2c(c1)SCC[C@@H]2[NH2+]CC[NH2+]C1CC1 ZINC000643505890 387463081 /nfs/dbraw/zinc/46/30/81/387463081.db2.gz CNYMSELBOFOBNY-ZDUSSCGKSA-N 2 2 248.395 2.565 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000374596291 387472915 /nfs/dbraw/zinc/47/29/15/387472915.db2.gz WSHOXPGFTWMQLK-WMHQRMGPSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@@H]2[C@H]1CCC[C@H]2[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000374596291 387472921 /nfs/dbraw/zinc/47/29/21/387472921.db2.gz WSHOXPGFTWMQLK-WMHQRMGPSA-N 2 2 248.414 2.782 20 0 BFADLP Fc1ccc([C@@H]([NH2+]CC[NH2+]C2CC2)C2CC2)cc1 ZINC000643507288 387474415 /nfs/dbraw/zinc/47/44/15/387474415.db2.gz YJCIKIWLVFYSCH-HNNXBMFYSA-N 2 2 248.345 2.618 20 0 BFADLP C[C@@H]([NH2+]CC[NH2+]C1CC1)C(C)(C)c1ccccc1 ZINC000643507223 387474945 /nfs/dbraw/zinc/47/49/45/387474945.db2.gz WKPMNFQSNRDHSY-CYBMUJFWSA-N 2 2 246.398 2.694 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000304405702 387476512 /nfs/dbraw/zinc/47/65/12/387476512.db2.gz OVUJAIXUUZWCCR-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](CCC(C)(C)C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC000304405702 387476516 /nfs/dbraw/zinc/47/65/16/387476516.db2.gz OVUJAIXUUZWCCR-QWHCGFSZSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC[NH2+]C2CC2)c2ccccc21 ZINC000643507604 387477164 /nfs/dbraw/zinc/47/71/64/387477164.db2.gz KCVRNRSSOWMJAO-NHYWBVRUSA-N 2 2 230.355 2.577 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+]CC[NH2+]C1CC1)[C@@H](C)C2 ZINC000643507817 387479315 /nfs/dbraw/zinc/47/93/15/387479315.db2.gz QLIPHDJHGLFCID-BLLLJJGKSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[N@H+](C)CCCC1(C)C)C1CCC1 ZINC000355146284 387488004 /nfs/dbraw/zinc/48/80/04/387488004.db2.gz BVPPIENMMACMOD-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH2+]C[C@@H]1[N@@H+](C)CCCC1(C)C)C1CCC1 ZINC000355146284 387488007 /nfs/dbraw/zinc/48/80/07/387488007.db2.gz BVPPIENMMACMOD-JSGCOSHPSA-N 2 2 238.419 2.885 20 0 BFADLP CCC[C@H](C)[NH2+]C[C@H]1[NH2+]CCc2ccccc21 ZINC000336715624 387580217 /nfs/dbraw/zinc/58/02/17/387580217.db2.gz SRNPLMWMZHYMMM-SWLSCSKDSA-N 2 2 232.371 2.652 20 0 BFADLP CCC[N@H+](C)C[C@H]1CC[NH+](C/C=C(/C)Cl)C1 ZINC000528398572 387586971 /nfs/dbraw/zinc/58/69/71/387586971.db2.gz HQOKQGUVOGDEPF-QWGHSUKYSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[N@@H+](C)C[C@H]1CC[NH+](C/C=C(/C)Cl)C1 ZINC000528398572 387586978 /nfs/dbraw/zinc/58/69/78/387586978.db2.gz HQOKQGUVOGDEPF-QWGHSUKYSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[NH+](C)C[C@H]1CC[N@H+](C/C=C(/C)Cl)C1 ZINC000528398572 387586979 /nfs/dbraw/zinc/58/69/79/387586979.db2.gz HQOKQGUVOGDEPF-QWGHSUKYSA-N 2 2 244.810 2.793 20 0 BFADLP CCC[NH+](C)C[C@H]1CC[N@@H+](C/C=C(/C)Cl)C1 ZINC000528398572 387586984 /nfs/dbraw/zinc/58/69/84/387586984.db2.gz HQOKQGUVOGDEPF-QWGHSUKYSA-N 2 2 244.810 2.793 20 0 BFADLP c1ccc([C@@H]([NH2+]CC[NH+]2CCCC2)C2CC2)cc1 ZINC000041075324 387588773 /nfs/dbraw/zinc/58/87/73/387588773.db2.gz LYMMFUNPUXIUTL-MRXNPFEDSA-N 2 2 244.382 2.823 20 0 BFADLP c1ccc([C@H]([NH2+]CC[NH+]2CCCC2)C2CC2)cc1 ZINC000041075323 387588868 /nfs/dbraw/zinc/58/88/68/387588868.db2.gz LYMMFUNPUXIUTL-INIZCTEOSA-N 2 2 244.382 2.823 20 0 BFADLP CCCC[N@H+](C)CC[NH2+]C[C@H]1CC=CCC1 ZINC000122768037 387594704 /nfs/dbraw/zinc/59/47/04/387594704.db2.gz ZTTFGIRBCVQCDH-AWEZNQCLSA-N 2 2 224.392 2.664 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+]C[C@H]1CC=CCC1 ZINC000122768037 387594708 /nfs/dbraw/zinc/59/47/08/387594708.db2.gz ZTTFGIRBCVQCDH-AWEZNQCLSA-N 2 2 224.392 2.664 20 0 BFADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cnc(C)s1 ZINC000643514497 387598758 /nfs/dbraw/zinc/59/87/58/387598758.db2.gz GYMPSWVWKCGWSF-ONGXEEELSA-N 2 2 241.404 2.620 20 0 BFADLP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000422696586 387613285 /nfs/dbraw/zinc/61/32/85/387613285.db2.gz RXATZOGVOGMYTQ-GDBMZVCRSA-N 2 2 246.398 2.924 20 0 BFADLP CC(C)(C)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000112698139 387544878 /nfs/dbraw/zinc/54/48/78/387544878.db2.gz SOYIVQTUXIXOJB-UHFFFAOYSA-N 2 2 235.375 2.956 20 0 BFADLP Cc1cc[nH+]c(N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000355590502 387554774 /nfs/dbraw/zinc/55/47/74/387554774.db2.gz WQPWTDKDDZJAJC-UHFFFAOYSA-N 2 2 249.402 2.945 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313261385 387634614 /nfs/dbraw/zinc/63/46/14/387634614.db2.gz AHFVTYVYGXTRPV-STQMWFEESA-N 2 2 235.375 2.521 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]CCc2cn(C)c[nH+]2)CC1 ZINC000313261384 387634734 /nfs/dbraw/zinc/63/47/34/387634734.db2.gz AHFVTYVYGXTRPV-QWHCGFSZSA-N 2 2 235.375 2.521 20 0 BFADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC000376517090 387647765 /nfs/dbraw/zinc/64/77/65/387647765.db2.gz HJJPCPUSVFGYSY-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP C[C@H]1[C@@H]([NH+]2CCCC2)CC[N@H+]1CCC(C)(C)C ZINC000376517090 387647769 /nfs/dbraw/zinc/64/77/69/387647769.db2.gz HJJPCPUSVFGYSY-KBPBESRZSA-N 2 2 238.419 2.981 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000527642236 387650051 /nfs/dbraw/zinc/65/00/51/387650051.db2.gz CBSYRYFZZQIQRL-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000527642236 387650057 /nfs/dbraw/zinc/65/00/57/387650057.db2.gz CBSYRYFZZQIQRL-LLVKDONJSA-N 2 2 248.361 2.742 20 0 BFADLP CCCCC[N@@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376557435 387652656 /nfs/dbraw/zinc/65/26/56/387652656.db2.gz JPZBJTDDJIWTJP-KBPBESRZSA-N 2 2 224.392 2.735 20 0 BFADLP CCCCC[N@H+]1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376557435 387652658 /nfs/dbraw/zinc/65/26/58/387652658.db2.gz JPZBJTDDJIWTJP-KBPBESRZSA-N 2 2 224.392 2.735 20 0 BFADLP CC1=C[C@H](C)C[N@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000430878320 387657409 /nfs/dbraw/zinc/65/74/09/387657409.db2.gz IHXUEYSCLJAYJL-LBPRGKRZSA-N 2 2 241.338 2.732 20 0 BFADLP CC1=C[C@H](C)C[N@@H+](Cc2cccc3[nH+]ccn32)C1 ZINC000430878320 387657413 /nfs/dbraw/zinc/65/74/13/387657413.db2.gz IHXUEYSCLJAYJL-LBPRGKRZSA-N 2 2 241.338 2.732 20 0 BFADLP C[C@@H]([NH2+][C@H]1CCc2c1cccc2F)[C@H]1CCC[NH2+]1 ZINC000422765388 387666178 /nfs/dbraw/zinc/66/61/78/387666178.db2.gz PDMWVSDLWSNISO-KMUNFCNLSA-N 2 2 248.345 2.543 20 0 BFADLP C[C@@H](C[NH2+]C1CCC2(CC2)CC1)Cn1cc[nH+]c1 ZINC000362918482 387672670 /nfs/dbraw/zinc/67/26/70/387672670.db2.gz NNDZCLFDFUFWDW-ZDUSSCGKSA-N 2 2 247.386 2.832 20 0 BFADLP C([NH2+]C1CCCC1)[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527752136 387691960 /nfs/dbraw/zinc/69/19/60/387691960.db2.gz MWPMJEULJPHNON-HNNXBMFYSA-N 2 2 236.403 2.926 20 0 BFADLP C([NH2+]C1CCCC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527752136 387691963 /nfs/dbraw/zinc/69/19/63/387691963.db2.gz MWPMJEULJPHNON-HNNXBMFYSA-N 2 2 236.403 2.926 20 0 BFADLP FCCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000367464632 387712137 /nfs/dbraw/zinc/71/21/37/387712137.db2.gz VCQDRIAKJIOEIO-UHFFFAOYSA-N 2 2 239.338 2.660 20 0 BFADLP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000643525878 387755328 /nfs/dbraw/zinc/75/53/28/387755328.db2.gz GPCWYKPTWGHHKQ-HTQZYQBOSA-N 2 2 247.169 2.991 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527805165 387727877 /nfs/dbraw/zinc/72/78/77/387727877.db2.gz DLOGNGAYYDJUJW-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527805165 387727880 /nfs/dbraw/zinc/72/78/80/387727880.db2.gz DLOGNGAYYDJUJW-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP C([NH2+]C1CCCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527811006 387731300 /nfs/dbraw/zinc/73/13/00/387731300.db2.gz WMFCUBNVFTVBID-HNNXBMFYSA-N 2 2 236.403 2.926 20 0 BFADLP C([NH2+]C1CCCCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527811006 387731310 /nfs/dbraw/zinc/73/13/10/387731310.db2.gz WMFCUBNVFTVBID-HNNXBMFYSA-N 2 2 236.403 2.926 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000157192241 387766812 /nfs/dbraw/zinc/76/68/12/387766812.db2.gz JXVNNWUZHMKVQN-XQQFMLRXSA-N 2 2 224.392 2.636 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000157192241 387766813 /nfs/dbraw/zinc/76/68/13/387766813.db2.gz JXVNNWUZHMKVQN-XQQFMLRXSA-N 2 2 224.392 2.636 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000157192522 387766936 /nfs/dbraw/zinc/76/69/36/387766936.db2.gz JXVNNWUZHMKVQN-YNEHKIRRSA-N 2 2 224.392 2.636 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000157192522 387766939 /nfs/dbraw/zinc/76/69/39/387766939.db2.gz JXVNNWUZHMKVQN-YNEHKIRRSA-N 2 2 224.392 2.636 20 0 BFADLP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528988 387771903 /nfs/dbraw/zinc/77/19/03/387771903.db2.gz SHXDTIJOGURUST-DTWKUNHWSA-N 2 2 241.404 2.573 20 0 BFADLP CCc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H](C)[NH3+] ZINC000643528015 387773806 /nfs/dbraw/zinc/77/38/06/387773806.db2.gz XIYKBXOPXOTPOJ-WDEREUQCSA-N 2 2 246.354 2.993 20 0 BFADLP CC(C)[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(F)ccc1F ZINC000643528022 387774267 /nfs/dbraw/zinc/77/42/67/387774267.db2.gz XJQXWHNVDFHJSX-TVQRCGJNSA-N 2 2 242.313 2.599 20 0 BFADLP COc1cc(C)ccc1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422921594 387775692 /nfs/dbraw/zinc/77/56/92/387775692.db2.gz QPOYHYRNYOEBRR-UHFFFAOYSA-N 2 2 248.370 2.933 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC000378365183 387780711 /nfs/dbraw/zinc/78/07/11/387780711.db2.gz UCYAVDQFXUHFGG-GFCCVEGCSA-N 2 2 235.375 2.646 20 0 BFADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(C)(C)C)C1 ZINC000378365183 387780717 /nfs/dbraw/zinc/78/07/17/387780717.db2.gz UCYAVDQFXUHFGG-GFCCVEGCSA-N 2 2 235.375 2.646 20 0 BFADLP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422979970 387791285 /nfs/dbraw/zinc/79/12/85/387791285.db2.gz OCTTYCOXGJHZLL-FMWNCBFRSA-N 2 2 244.382 2.820 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)[C@@H]1C ZINC000527997760 387805764 /nfs/dbraw/zinc/80/57/64/387805764.db2.gz AVFCESOGYDUEDG-GBOPCIDUSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+]2C2CCCC2)[C@@H]1C ZINC000527997760 387805767 /nfs/dbraw/zinc/80/57/67/387805767.db2.gz AVFCESOGYDUEDG-GBOPCIDUSA-N 2 2 236.403 2.637 20 0 BFADLP C([NH2+][C@H]1CCCC12CC2)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528003049 387808449 /nfs/dbraw/zinc/80/84/49/387808449.db2.gz RLQSNYFVIVDLFQ-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+][C@H]1CCCC12CC2)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528003049 387808452 /nfs/dbraw/zinc/80/84/52/387808452.db2.gz RLQSNYFVIVDLFQ-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP CC(C)[C@H](C)[NH2+][C@H](Cc1ccccc1)C[NH+](C)C ZINC000128850692 387758332 /nfs/dbraw/zinc/75/83/32/387758332.db2.gz LYUPSSPBLFABKU-GOEBONIOSA-N 2 2 248.414 2.793 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528006802 387820666 /nfs/dbraw/zinc/82/06/66/387820666.db2.gz ABDIINVSBXNQNW-OCCSQVGLSA-N 2 2 224.392 2.637 20 0 BFADLP CC(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528006802 387820667 /nfs/dbraw/zinc/82/06/67/387820667.db2.gz ABDIINVSBXNQNW-OCCSQVGLSA-N 2 2 224.392 2.637 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528010249 387822801 /nfs/dbraw/zinc/82/28/01/387822801.db2.gz JLBYOESRFPKBFQ-OCCSQVGLSA-N 2 2 224.392 2.782 20 0 BFADLP CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528010249 387822808 /nfs/dbraw/zinc/82/28/08/387822808.db2.gz JLBYOESRFPKBFQ-OCCSQVGLSA-N 2 2 224.392 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CC[N@@H+]1C1CCCC1 ZINC000528011515 387822847 /nfs/dbraw/zinc/82/28/47/387822847.db2.gz LXNYDOMPJORMEK-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+]C[C@H]1CC[N@H+]1C1CCCC1 ZINC000528011515 387822854 /nfs/dbraw/zinc/82/28/54/387822854.db2.gz LXNYDOMPJORMEK-IUODEOHRSA-N 2 2 236.403 2.782 20 0 BFADLP CCC(CC)[NH2+]C[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000528014446 387823428 /nfs/dbraw/zinc/82/34/28/387823428.db2.gz VVWBZNWGCXVBDU-AWEZNQCLSA-N 2 2 224.392 2.782 20 0 BFADLP CCC(CC)[NH2+]C[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528014446 387823434 /nfs/dbraw/zinc/82/34/34/387823434.db2.gz VVWBZNWGCXVBDU-AWEZNQCLSA-N 2 2 224.392 2.782 20 0 BFADLP C[N@@H+]1CCCC12CC[NH+](CC1=CCCC1)CC2 ZINC000645845151 387829199 /nfs/dbraw/zinc/82/91/99/387829199.db2.gz LUINRTPTWXCEBZ-UHFFFAOYSA-N 2 2 234.387 2.657 20 0 BFADLP C[N@H+]1CCCC12CC[NH+](CC1=CCCC1)CC2 ZINC000645845151 387829204 /nfs/dbraw/zinc/82/92/04/387829204.db2.gz LUINRTPTWXCEBZ-UHFFFAOYSA-N 2 2 234.387 2.657 20 0 BFADLP CC1(C)CC([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000433138397 387870016 /nfs/dbraw/zinc/87/00/16/387870016.db2.gz SEYIRJYBUPASLE-UHFFFAOYSA-N 2 2 247.386 2.540 20 0 BFADLP CC[N@H+](C[C@H](C)[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000442654148 387813929 /nfs/dbraw/zinc/81/39/29/387813929.db2.gz XGFMKQYKMAEMQE-WDEREUQCSA-N 2 2 224.323 2.556 20 0 BFADLP CC[N@@H+](C[C@H](C)[NH3+])[C@H](C)c1ccc(F)cc1 ZINC000442654148 387813933 /nfs/dbraw/zinc/81/39/33/387813933.db2.gz XGFMKQYKMAEMQE-WDEREUQCSA-N 2 2 224.323 2.556 20 0 BFADLP Cc1cccc(C)c1C[N@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435229564 387896378 /nfs/dbraw/zinc/89/63/78/387896378.db2.gz JIMSEVJVCPCEGR-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP Cc1cccc(C)c1C[N@@H+](C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435229564 387896382 /nfs/dbraw/zinc/89/63/82/387896382.db2.gz JIMSEVJVCPCEGR-OAHLLOKOSA-N 2 2 244.382 2.630 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[N@@H+]1C1CC1 ZINC000424174888 387879344 /nfs/dbraw/zinc/87/93/44/387879344.db2.gz PPPGYUXIBMGGAP-DSRCVFDASA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCC2)C[N@H+]1C1CC1 ZINC000424174888 387879349 /nfs/dbraw/zinc/87/93/49/387879349.db2.gz PPPGYUXIBMGGAP-DSRCVFDASA-N 2 2 248.414 2.637 20 0 BFADLP C[C@H](C[NH2+]C[C@H](C)[N@H+](C)C1CC1)c1ccccc1 ZINC000194429170 387881162 /nfs/dbraw/zinc/88/11/62/387881162.db2.gz DDBGHBKAPLZCER-KGLIPLIRSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH2+]C[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000194429170 387881168 /nfs/dbraw/zinc/88/11/68/387881168.db2.gz DDBGHBKAPLZCER-KGLIPLIRSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423144622 387921154 /nfs/dbraw/zinc/92/11/54/387921154.db2.gz HNRYBONWMFZMQD-XHDPSFHLSA-N 2 2 230.355 2.577 20 0 BFADLP CC(C)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2)C1 ZINC000444751071 387921615 /nfs/dbraw/zinc/92/16/15/387921615.db2.gz MULMYSVXIWBSTO-AWEZNQCLSA-N 2 2 235.375 2.641 20 0 BFADLP CC(C)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2)C1 ZINC000444751071 387921619 /nfs/dbraw/zinc/92/16/19/387921619.db2.gz MULMYSVXIWBSTO-AWEZNQCLSA-N 2 2 235.375 2.641 20 0 BFADLP CC[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(F)F ZINC000423147154 387925022 /nfs/dbraw/zinc/92/50/22/387925022.db2.gz REIHSTLTJFXLLK-TUAOUCFPSA-N 2 2 248.361 2.931 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+](C)CC)C1CCCCC1 ZINC000158830155 387964135 /nfs/dbraw/zinc/96/41/35/387964135.db2.gz JORRVWXTBYACGI-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+](C)CC)C1CCCCC1 ZINC000158830155 387964141 /nfs/dbraw/zinc/96/41/41/387964141.db2.gz JORRVWXTBYACGI-AWEZNQCLSA-N 2 2 226.408 2.887 20 0 BFADLP Cc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]C2)C2CCC2)o1 ZINC000423177084 387964646 /nfs/dbraw/zinc/96/46/46/387964646.db2.gz ABRUDXOYYNJVDP-UKRRQHHQSA-N 2 2 248.370 2.771 20 0 BFADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423178637 387965017 /nfs/dbraw/zinc/96/50/17/387965017.db2.gz CHBIPCQMYSGXSP-UMVBOHGHSA-N 2 2 244.382 2.885 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCC[NH2+]C2)c1C ZINC000423187614 387971901 /nfs/dbraw/zinc/97/19/01/387971901.db2.gz KXRQPPPJMRLDLN-KGLIPLIRSA-N 2 2 232.371 2.706 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1cccc(C2CC2)c1 ZINC000423197071 387981149 /nfs/dbraw/zinc/98/11/49/387981149.db2.gz XPTXBJPJSWREEV-MLGOLLRUSA-N 2 2 244.382 2.967 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423196383 387981582 /nfs/dbraw/zinc/98/15/82/387981582.db2.gz VCFYUGFRTDZMGV-VXGBXAGGSA-N 2 2 224.373 2.541 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423188590 387974039 /nfs/dbraw/zinc/97/40/39/387974039.db2.gz LRAYEBKBQQAXIN-LALPHHSUSA-N 2 2 230.355 2.577 20 0 BFADLP CC1(C)C[C@@H]([NH2+][C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC000423190765 387976169 /nfs/dbraw/zinc/97/61/69/387976169.db2.gz OERDRARICHPLNC-IUODEOHRSA-N 2 2 244.382 2.751 20 0 BFADLP CCC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000245866158 387988365 /nfs/dbraw/zinc/98/83/65/387988365.db2.gz QDSRADZHMRKURL-MCIONIFRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@@H](C)C[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000245866158 387988369 /nfs/dbraw/zinc/98/83/69/387988369.db2.gz QDSRADZHMRKURL-MCIONIFRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000245866158 387988373 /nfs/dbraw/zinc/98/83/73/387988373.db2.gz QDSRADZHMRKURL-MCIONIFRSA-N 2 2 224.392 2.591 20 0 BFADLP CCC[C@@H](C)C[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000245866158 387988376 /nfs/dbraw/zinc/98/83/76/387988376.db2.gz QDSRADZHMRKURL-MCIONIFRSA-N 2 2 224.392 2.591 20 0 BFADLP CC(C)Cc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C2)c1 ZINC000423205561 387992267 /nfs/dbraw/zinc/99/22/67/387992267.db2.gz CAAYXHZILUCVQJ-XJKSGUPXSA-N 2 2 246.398 2.898 20 0 BFADLP CCc1cccnc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424368675 387992713 /nfs/dbraw/zinc/99/27/13/387992713.db2.gz ACPXBMUAYZFKLF-IACUBPJLSA-N 2 2 247.386 2.565 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453140557 387995157 /nfs/dbraw/zinc/99/51/57/387995157.db2.gz NJYMGGNTZHEZHL-XFBWCDHKSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453140557 387995161 /nfs/dbraw/zinc/99/51/61/387995161.db2.gz NJYMGGNTZHEZHL-XFBWCDHKSA-N 2 2 248.414 2.637 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453098572 387984321 /nfs/dbraw/zinc/98/43/21/387984321.db2.gz VDNTWOOSHDUMEM-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453098572 387984326 /nfs/dbraw/zinc/98/43/26/387984326.db2.gz VDNTWOOSHDUMEM-GJZGRUSLSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000245856812 387987004 /nfs/dbraw/zinc/98/70/04/387987004.db2.gz NTVKFDGBEMXBMQ-CHWSQXEVSA-N 2 2 243.354 2.812 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)C[C@H]1C ZINC000245856812 387987008 /nfs/dbraw/zinc/98/70/08/387987008.db2.gz NTVKFDGBEMXBMQ-CHWSQXEVSA-N 2 2 243.354 2.812 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H](C)[NH+](C)C)C(C)(C)C ZINC000453114541 387987165 /nfs/dbraw/zinc/98/71/65/387987165.db2.gz VWMCEYFNEADEED-NEPJUHHUSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000453193373 388006843 /nfs/dbraw/zinc/00/68/43/388006843.db2.gz MFAPRMZFXDRDED-GZBLMMOJSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@@H]2CCC[N@@H+](C)[C@H]2C)C1 ZINC000453193373 388006848 /nfs/dbraw/zinc/00/68/48/388006848.db2.gz MFAPRMZFXDRDED-GZBLMMOJSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[N@H+](C)[C@H]1C)c1ccncc1 ZINC000453192099 388006898 /nfs/dbraw/zinc/00/68/98/388006898.db2.gz IRHIUTNVQBMMCK-QEJZJMRPSA-N 2 2 247.386 2.605 20 0 BFADLP CC[C@H]([NH2+][C@H]1CCC[N@@H+](C)[C@H]1C)c1ccncc1 ZINC000453192099 388006904 /nfs/dbraw/zinc/00/69/04/388006904.db2.gz IRHIUTNVQBMMCK-QEJZJMRPSA-N 2 2 247.386 2.605 20 0 BFADLP CCC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)C1CCC1 ZINC000453196763 388008144 /nfs/dbraw/zinc/00/81/44/388008144.db2.gz FPGYPWREQHUCQR-KBPBESRZSA-N 2 2 247.386 2.756 20 0 BFADLP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000246107850 388010553 /nfs/dbraw/zinc/01/05/53/388010553.db2.gz JPRPYXUSHJRTLC-BFHYXJOUSA-N 2 2 235.375 2.688 20 0 BFADLP C[NH2+]CC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000423227235 388010619 /nfs/dbraw/zinc/01/06/19/388010619.db2.gz VAGLYJHDIRIIHU-ZDUSSCGKSA-N 2 2 238.762 2.600 20 0 BFADLP CCc1c2ccccc2oc1[C@H](C)[NH2+]CC[NH2+]C ZINC000423227514 388010839 /nfs/dbraw/zinc/01/08/39/388010839.db2.gz WBHHPVLIHOOIRJ-NSHDSACASA-N 2 2 246.354 2.865 20 0 BFADLP Cc1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCC2)o1 ZINC000423241296 388024388 /nfs/dbraw/zinc/02/43/88/388024388.db2.gz UYYXVPUKWNQKOV-ZFWWWQNUSA-N 2 2 248.370 2.771 20 0 BFADLP CCSc1ccccc1[C@H](C)[NH2+]CC[NH2+]C ZINC000423228467 388012873 /nfs/dbraw/zinc/01/28/73/388012873.db2.gz ZSXDNHUXLVTPNU-NSHDSACASA-N 2 2 238.400 2.669 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H](c1ccccc1)C(C)C ZINC000423242937 388025845 /nfs/dbraw/zinc/02/58/45/388025845.db2.gz JQVYDHRUGTXTLK-CQSZACIVSA-N 2 2 220.360 2.583 20 0 BFADLP Cc1cc(C)cc([C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c1 ZINC000423230912 388015498 /nfs/dbraw/zinc/01/54/98/388015498.db2.gz FRJBSUPIXPAKIB-DZGCQCFKSA-N 2 2 232.371 2.706 20 0 BFADLP CC1(C)Cc2occc2[C@H]([NH2+]C[C@H]2CCC[NH2+]2)C1 ZINC000423230495 388015544 /nfs/dbraw/zinc/01/55/44/388015544.db2.gz DTEJYWFYQSLFIJ-DGCLKSJQSA-N 2 2 248.370 2.635 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1csc(Cl)c1 ZINC000423232228 388017043 /nfs/dbraw/zinc/01/70/43/388017043.db2.gz HWNMDJTTWDSUTH-SCZZXKLOSA-N 2 2 244.791 2.804 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CC[C@H](C)c2ccsc21 ZINC000423235544 388018846 /nfs/dbraw/zinc/01/88/46/388018846.db2.gz NHIQOPAPIQRBSK-JQWIXIFHSA-N 2 2 238.400 2.886 20 0 BFADLP CC[NH2+]CC[NH2+][C@H]1CCCCc2ccccc21 ZINC000423243801 388025987 /nfs/dbraw/zinc/02/59/87/388025987.db2.gz KIEJTBNMKDXIPB-HNNXBMFYSA-N 2 2 232.371 2.653 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)C1CCC1 ZINC000453235869 388019409 /nfs/dbraw/zinc/01/94/09/388019409.db2.gz AUGNWTUZRXSGLK-CHWSQXEVSA-N 2 2 247.386 2.825 20 0 BFADLP CCC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)C1CCC1 ZINC000453235869 388019410 /nfs/dbraw/zinc/01/94/10/388019410.db2.gz AUGNWTUZRXSGLK-CHWSQXEVSA-N 2 2 247.386 2.825 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000423237725 388020474 /nfs/dbraw/zinc/02/04/74/388020474.db2.gz DRHMSHIPUONVMA-GFCCVEGCSA-N 2 2 220.360 2.509 20 0 BFADLP CC(C)C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1ccccn1 ZINC000423237912 388022232 /nfs/dbraw/zinc/02/22/32/388022232.db2.gz QKYFMJJTGAOQLA-HIFRSBDPSA-N 2 2 247.386 2.510 20 0 BFADLP [NH3+][C@H](C[NH2+][C@H]1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000423239153 388022674 /nfs/dbraw/zinc/02/26/74/388022674.db2.gz AVMRQJUCMDQZCX-OAGGEKHMSA-N 2 2 244.382 2.855 20 0 BFADLP Cc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])c2ccccc2)o1 ZINC000423250095 388032369 /nfs/dbraw/zinc/03/23/69/388032369.db2.gz UPCVNTPOPLMBRP-JSGCOSHPSA-N 2 2 244.338 2.939 20 0 BFADLP CC[NH2+]CC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000423252172 388033388 /nfs/dbraw/zinc/03/33/88/388033388.db2.gz XEFODYKMZJFBTA-CQSZACIVSA-N 2 2 234.387 2.872 20 0 BFADLP CC[NH2+]CC[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000423251835 388034453 /nfs/dbraw/zinc/03/44/53/388034453.db2.gz XCTPQBVGYNMNIF-SWLSCSKDSA-N 2 2 232.371 2.824 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000446763656 388037410 /nfs/dbraw/zinc/03/74/10/388037410.db2.gz XTUVLEYCSJEUIV-SYQHCUMBSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000446763656 388037413 /nfs/dbraw/zinc/03/74/13/388037413.db2.gz XTUVLEYCSJEUIV-SYQHCUMBSA-N 2 2 238.419 2.883 20 0 BFADLP Cc1cc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)oc1C ZINC000423259535 388038030 /nfs/dbraw/zinc/03/80/30/388038030.db2.gz FFJXYTLOZCCSEN-AAEUAGOBSA-N 2 2 238.375 2.920 20 0 BFADLP CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)C1CCC1 ZINC000423244938 388028573 /nfs/dbraw/zinc/02/85/73/388028573.db2.gz IANJLCBZOJMAAU-GJZGRUSLSA-N 2 2 232.371 2.855 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000423248682 388031351 /nfs/dbraw/zinc/03/13/51/388031351.db2.gz RYCPKPRSNBLUON-ZIAGYGMSSA-N 2 2 220.360 2.711 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c1ccccc1F ZINC000423272648 388053070 /nfs/dbraw/zinc/05/30/70/388053070.db2.gz JZJULLMMACXSOC-ZIAGYGMSSA-N 2 2 238.350 2.850 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccccc1F ZINC000423274060 388053627 /nfs/dbraw/zinc/05/36/27/388053627.db2.gz JQZZBNMHAGVZIH-KGLIPLIRSA-N 2 2 236.334 2.604 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)o1 ZINC000423278163 388059998 /nfs/dbraw/zinc/05/99/98/388059998.db2.gz QQXJMMPOLPZTTM-VXGBXAGGSA-N 2 2 224.348 2.612 20 0 BFADLP Cc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)oc1C ZINC000423278325 388060052 /nfs/dbraw/zinc/06/00/52/388060052.db2.gz QQLOMBIPOYMAJC-PWSUYJOCSA-N 2 2 224.348 2.530 20 0 BFADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc2ccccc2o1 ZINC000423280472 388061462 /nfs/dbraw/zinc/06/14/62/388061462.db2.gz SQITXTXHBLHCJH-MFKMUULPSA-N 2 2 244.338 2.821 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000423280352 388062290 /nfs/dbraw/zinc/06/22/90/388062290.db2.gz TXXKTRJMAAPTJL-RNCFNFMXSA-N 2 2 242.313 2.599 20 0 BFADLP CCc1cccnc1[C@@H](C)[NH2+]CC([NH3+])(CC)CC ZINC000423283912 388067996 /nfs/dbraw/zinc/06/79/96/388067996.db2.gz FWAYWLZYDIBSNO-GFCCVEGCSA-N 2 2 249.402 2.812 20 0 BFADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1csc(Cl)c1 ZINC000423284905 388069040 /nfs/dbraw/zinc/06/90/40/388069040.db2.gz XKMGZVOQMUMRKR-XVKPBYJWSA-N 2 2 244.791 2.789 20 0 BFADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(F)c1F ZINC000423285910 388069178 /nfs/dbraw/zinc/06/91/78/388069178.db2.gz ZTIUKLFTVKEFLC-SKDRFNHKSA-N 2 2 242.313 2.599 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453393820 388069725 /nfs/dbraw/zinc/06/97/25/388069725.db2.gz IKYKCEDDSZEKLZ-JSGCOSHPSA-N 2 2 236.403 2.663 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]CC(C)(C)C1=CCCC1 ZINC000453393820 388069728 /nfs/dbraw/zinc/06/97/28/388069728.db2.gz IKYKCEDDSZEKLZ-JSGCOSHPSA-N 2 2 236.403 2.663 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCC[C@@H](C)C1 ZINC000453412009 388077321 /nfs/dbraw/zinc/07/73/21/388077321.db2.gz SFSCDBSGYXSSJO-MRLBHPIUSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCC[C@@H](C)C1 ZINC000453412009 388077323 /nfs/dbraw/zinc/07/73/23/388077323.db2.gz SFSCDBSGYXSSJO-MRLBHPIUSA-N 2 2 238.419 2.741 20 0 BFADLP CCC[NH2+]CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000423295439 388077436 /nfs/dbraw/zinc/07/74/36/388077436.db2.gz AGOZLGCVBIXPLX-OAHLLOKOSA-N 2 2 232.371 2.727 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000084468390 388078046 /nfs/dbraw/zinc/07/80/46/388078046.db2.gz GOZVUGRBJGHRDR-UPJWGTAASA-N 2 2 235.375 2.686 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1[N@H+](C)CCCC1(C)C ZINC000447895980 388100980 /nfs/dbraw/zinc/10/09/80/388100980.db2.gz FJEPRZLIDRGCNY-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447895980 388100983 /nfs/dbraw/zinc/10/09/83/388100983.db2.gz FJEPRZLIDRGCNY-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC000447905484 388101503 /nfs/dbraw/zinc/10/15/03/388101503.db2.gz UJRXXKXEILPIOK-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC000447905484 388101506 /nfs/dbraw/zinc/10/15/06/388101506.db2.gz UJRXXKXEILPIOK-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccn1 ZINC000423266418 388046051 /nfs/dbraw/zinc/04/60/51/388046051.db2.gz RYPMYXKUFKJQTQ-IUODEOHRSA-N 2 2 247.386 2.640 20 0 BFADLP C[C@H](C[NH2+][C@@H](C)[C@H]1CCCC[C@H]1C)[NH+](C)C ZINC000449227224 388159626 /nfs/dbraw/zinc/15/96/26/388159626.db2.gz TXKMXWNNWPHKOR-MQYQWHSLSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCc3[nH+]c[nH]c3C2)C1 ZINC000449333903 388174746 /nfs/dbraw/zinc/17/47/46/388174746.db2.gz IDHHAYMCCHQVNL-OWTLIXCDSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@H]([NH2+][C@H]2CCc3[nH]c[nH+]c3C2)C1 ZINC000449333903 388174748 /nfs/dbraw/zinc/17/47/48/388174748.db2.gz IDHHAYMCCHQVNL-OWTLIXCDSA-N 2 2 247.386 2.681 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@H](CC)C1CCC1 ZINC000449142291 388142386 /nfs/dbraw/zinc/14/23/86/388142386.db2.gz GIQSWECQVLLJFL-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@H](CC)C1CCC1 ZINC000449142291 388142388 /nfs/dbraw/zinc/14/23/88/388142388.db2.gz GIQSWECQVLLJFL-CQSZACIVSA-N 2 2 226.408 2.887 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449107240 388143600 /nfs/dbraw/zinc/14/36/00/388143600.db2.gz LVRFWUBQOUMURT-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449107240 388143602 /nfs/dbraw/zinc/14/36/02/388143602.db2.gz LVRFWUBQOUMURT-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP c1cn(CC[N@@H+]2CCCC[C@H]2C2CCC2)c[nH+]1 ZINC000646139048 388154092 /nfs/dbraw/zinc/15/40/92/388154092.db2.gz GNAKACGLGAYETK-AWEZNQCLSA-N 2 2 233.359 2.538 20 0 BFADLP c1cn(CC[N@H+]2CCCC[C@H]2C2CCC2)c[nH+]1 ZINC000646139048 388154093 /nfs/dbraw/zinc/15/40/93/388154093.db2.gz GNAKACGLGAYETK-AWEZNQCLSA-N 2 2 233.359 2.538 20 0 BFADLP CCCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCC1 ZINC000165148210 388251241 /nfs/dbraw/zinc/25/12/41/388251241.db2.gz OOTDJKRBRZEWNY-GFCCVEGCSA-N 2 2 212.381 2.639 20 0 BFADLP C[C@@H]([NH2+]Cc1cc(-n2cc[nH+]c2)cs1)C1CC1 ZINC000449438712 388206588 /nfs/dbraw/zinc/20/65/88/388206588.db2.gz CUSNXAFSYJRVDK-SNVBAGLBSA-N 2 2 247.367 2.822 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](C)C3CC3)n2c1 ZINC000449446051 388207718 /nfs/dbraw/zinc/20/77/18/388207718.db2.gz NQOXDOIFOOMYLR-NSHDSACASA-N 2 2 229.327 2.531 20 0 BFADLP CC[C@H]1CCC[C@H](C[NH2+]CCc2cn(C)c[nH+]2)C1 ZINC000313287906 256546539 /nfs/dbraw/zinc/54/65/39/256546539.db2.gz YMLLHHOJEXXZHY-KBPBESRZSA-N 2 2 249.402 2.769 20 0 BFADLP C[N@H+](CCCn1cc[nH+]c1)C1(C)CCCC1 ZINC000489865890 388226831 /nfs/dbraw/zinc/22/68/31/388226831.db2.gz YGMHOYLYVUYDRU-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP C[N@@H+](CCCn1cc[nH+]c1)C1(C)CCCC1 ZINC000489865890 388226832 /nfs/dbraw/zinc/22/68/32/388226832.db2.gz YGMHOYLYVUYDRU-UHFFFAOYSA-N 2 2 221.348 2.538 20 0 BFADLP C[C@@H]([NH2+]C[C@H](C)[NH+](C)C)[C@@H]1CCCC[C@H]1C ZINC000449557772 388231702 /nfs/dbraw/zinc/23/17/02/388231702.db2.gz TXKMXWNNWPHKOR-XJFOESAGSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC000235439617 388369941 /nfs/dbraw/zinc/36/99/41/388369941.db2.gz DXASDLCIYYZFTG-NSHDSACASA-N 2 2 244.791 2.572 20 0 BFADLP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC000235439617 388369943 /nfs/dbraw/zinc/36/99/43/388369943.db2.gz DXASDLCIYYZFTG-NSHDSACASA-N 2 2 244.791 2.572 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)C1CCC1 ZINC000322618446 388441044 /nfs/dbraw/zinc/44/10/44/388441044.db2.gz FFARXOCCEFSJEA-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)C1CCC1 ZINC000322618446 388441046 /nfs/dbraw/zinc/44/10/46/388441046.db2.gz FFARXOCCEFSJEA-KBPBESRZSA-N 2 2 224.392 2.639 20 0 BFADLP c1cn(CC[NH2+][C@@H]2CCCC23CCCC3)c[nH+]1 ZINC000336901521 388441460 /nfs/dbraw/zinc/44/14/60/388441460.db2.gz SUTOLJSXSRRMET-CYBMUJFWSA-N 2 2 233.359 2.586 20 0 BFADLP CC[C@@H]([NH2+]CC1([NH+](C)C)CCC1)C1CCC1 ZINC000322693606 388444200 /nfs/dbraw/zinc/44/42/00/388444200.db2.gz MRDXKHCIOQXIBU-CYBMUJFWSA-N 2 2 224.392 2.639 20 0 BFADLP Cc1c[nH+]ccc1Cn1c[nH+]c2c1CCCC2 ZINC000528514921 388539262 /nfs/dbraw/zinc/53/92/62/388539262.db2.gz ADKFUQOOSRPPHD-UHFFFAOYSA-N 2 2 227.311 2.514 20 0 BFADLP CC[C@H]([NH2+]CCCn1cc[nH+]c1)[C@H]1CC1(C)C ZINC000397592143 388482175 /nfs/dbraw/zinc/48/21/75/388482175.db2.gz KDOIFYUYLYOJHD-OLZOCXBDSA-N 2 2 235.375 2.688 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000397687488 388490574 /nfs/dbraw/zinc/49/05/74/388490574.db2.gz KOFRUDPLDQVFQB-FMSGJZPZSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000397687488 388490576 /nfs/dbraw/zinc/49/05/76/388490576.db2.gz KOFRUDPLDQVFQB-FMSGJZPZSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000397687487 388490706 /nfs/dbraw/zinc/49/07/06/388490706.db2.gz KOFRUDPLDQVFQB-CZXHOFHRSA-N 2 2 236.403 2.636 20 0 BFADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H]1CC1(C)C ZINC000397687487 388490710 /nfs/dbraw/zinc/49/07/10/388490710.db2.gz KOFRUDPLDQVFQB-CZXHOFHRSA-N 2 2 236.403 2.636 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[N@H+](C)C1CC1)[C@H]1CC1(C)C ZINC000397819402 388501847 /nfs/dbraw/zinc/50/18/47/388501847.db2.gz KIYFYPNKUPZDDP-BNOWGMLFSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@H]([NH2+]C[C@@H](C)[N@@H+](C)C1CC1)[C@H]1CC1(C)C ZINC000397819402 388501849 /nfs/dbraw/zinc/50/18/49/388501849.db2.gz KIYFYPNKUPZDDP-BNOWGMLFSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(C)C)[NH+](C)C ZINC000397821834 388502790 /nfs/dbraw/zinc/50/27/90/388502790.db2.gz KYKDTLCDQYWHSX-BFHYXJOUSA-N 2 2 240.435 2.987 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CC2)c2ccccc21 ZINC000397827943 388503416 /nfs/dbraw/zinc/50/34/16/388503416.db2.gz BTEWOOCJDPIGSI-IUODEOHRSA-N 2 2 244.382 2.919 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+](C)C(C)C)[C@H]1CC1(C)C ZINC000397833781 388504207 /nfs/dbraw/zinc/50/42/07/388504207.db2.gz SHFBOUNUMDWCQD-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+](C)C(C)C)[C@H]1CC1(C)C ZINC000397833781 388504211 /nfs/dbraw/zinc/50/42/11/388504211.db2.gz SHFBOUNUMDWCQD-OLZOCXBDSA-N 2 2 226.408 2.741 20 0 BFADLP CC[C@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CC1 ZINC000397837185 388504338 /nfs/dbraw/zinc/50/43/38/388504338.db2.gz FMBAXWJNSVWYIK-OAHLLOKOSA-N 2 2 246.398 2.692 20 0 BFADLP CC(C)CC[C@@H]([NH2+]CC1([NH+](C)C)CC1)C1CC1 ZINC000397842592 388504849 /nfs/dbraw/zinc/50/48/49/388504849.db2.gz RBMNYQWZNYYPES-CQSZACIVSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc(C)c(C[NH2+]CC2([NH+](C)C)CC2)cc1C ZINC000397872280 388507910 /nfs/dbraw/zinc/50/79/10/388507910.db2.gz TXRWWUFIVXWXEK-UHFFFAOYSA-N 2 2 246.398 2.796 20 0 BFADLP CC[C@H](C)C[C@H](CC)[NH2+]CC1([NH+](C)C)CC1 ZINC000397936671 388512253 /nfs/dbraw/zinc/51/22/53/388512253.db2.gz SEFNELBWJJXDIV-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+]CC2([NH+](C)C)CC2)cc1 ZINC000397975386 388513614 /nfs/dbraw/zinc/51/36/14/388513614.db2.gz IXSKRWJLWYIKIT-CYBMUJFWSA-N 2 2 232.371 2.740 20 0 BFADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C(\C)Cl ZINC000528400558 388519093 /nfs/dbraw/zinc/51/90/93/388519093.db2.gz ONNNEKRKNWDPSP-YCBFNFSOSA-N 2 2 242.794 2.688 20 0 BFADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C/C=C(\C)Cl ZINC000528400558 388519095 /nfs/dbraw/zinc/51/90/95/388519095.db2.gz ONNNEKRKNWDPSP-YCBFNFSOSA-N 2 2 242.794 2.688 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C/C=C(\C)Cl ZINC000528400558 388519099 /nfs/dbraw/zinc/51/90/99/388519099.db2.gz ONNNEKRKNWDPSP-YCBFNFSOSA-N 2 2 242.794 2.688 20 0 BFADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C/C=C(\C)Cl ZINC000528400558 388519100 /nfs/dbraw/zinc/51/91/00/388519100.db2.gz ONNNEKRKNWDPSP-YCBFNFSOSA-N 2 2 242.794 2.688 20 0 BFADLP C/C(Cl)=C/C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528397646 388519671 /nfs/dbraw/zinc/51/96/71/388519671.db2.gz RCXZOTDOKYJDFM-JUYDSFNJSA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C/C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528397646 388519673 /nfs/dbraw/zinc/51/96/73/388519673.db2.gz RCXZOTDOKYJDFM-JUYDSFNJSA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C/C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528397646 388519675 /nfs/dbraw/zinc/51/96/75/388519675.db2.gz RCXZOTDOKYJDFM-JUYDSFNJSA-N 2 2 230.783 2.544 20 0 BFADLP C/C(Cl)=C/C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528397646 388519676 /nfs/dbraw/zinc/51/96/76/388519676.db2.gz RCXZOTDOKYJDFM-JUYDSFNJSA-N 2 2 230.783 2.544 20 0 BFADLP CC[NH+](CC)C[C@@H]1CC[N@H+](C/C=C(/C)Cl)C1 ZINC000528397097 388519762 /nfs/dbraw/zinc/51/97/62/388519762.db2.gz SYSAGIUQNUJYPX-TZQNSNDFSA-N 2 2 244.810 2.793 20 0 BFADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](C/C=C(/C)Cl)C1 ZINC000528397097 388519766 /nfs/dbraw/zinc/51/97/66/388519766.db2.gz SYSAGIUQNUJYPX-TZQNSNDFSA-N 2 2 244.810 2.793 20 0 BFADLP C[NH+](C)CC[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000037184100 388591390 /nfs/dbraw/zinc/59/13/90/388591390.db2.gz ALYFUCDNIPRHOD-HOTGVXAUSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000186247128 388599184 /nfs/dbraw/zinc/59/91/84/388599184.db2.gz UQQAZYUQFFMEAJ-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H](CCC1CC1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000186247128 388599187 /nfs/dbraw/zinc/59/91/87/388599187.db2.gz UQQAZYUQFFMEAJ-KGLIPLIRSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000186246013 388599305 /nfs/dbraw/zinc/59/93/05/388599305.db2.gz CAWYTNQGSUGTHO-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000550937622 388618276 /nfs/dbraw/zinc/61/82/76/388618276.db2.gz KFTZZESSJKOSEA-KCQAQPDRSA-N 2 2 234.387 2.558 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000550937622 388618279 /nfs/dbraw/zinc/61/82/79/388618279.db2.gz KFTZZESSJKOSEA-KCQAQPDRSA-N 2 2 234.387 2.558 20 0 BFADLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)C1CCC1 ZINC000520965151 388558333 /nfs/dbraw/zinc/55/83/33/388558333.db2.gz JYENAOBFIZATEN-AWEZNQCLSA-N 2 2 247.386 2.888 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000224542897 388666211 /nfs/dbraw/zinc/66/62/11/388666211.db2.gz MBYPYISMCCBZBV-YNEHKIRRSA-N 2 2 224.392 2.780 20 0 BFADLP CCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000224542897 388666213 /nfs/dbraw/zinc/66/62/13/388666213.db2.gz MBYPYISMCCBZBV-YNEHKIRRSA-N 2 2 224.392 2.780 20 0 BFADLP C(=C\c1ccccc1)\C[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178740 388621220 /nfs/dbraw/zinc/62/12/20/388621220.db2.gz QFHXUURWELFIJN-UFRMUOTOSA-N 2 2 242.366 2.574 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC000530213537 388628667 /nfs/dbraw/zinc/62/86/67/388628667.db2.gz WSNQQGXHWSHCAO-AAEUAGOBSA-N 2 2 224.392 2.624 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CC1CC(C)(C)C1 ZINC000530213537 388628668 /nfs/dbraw/zinc/62/86/68/388628668.db2.gz WSNQQGXHWSHCAO-AAEUAGOBSA-N 2 2 224.392 2.624 20 0 BFADLP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C1)c1cc(C)ccc1C ZINC000530223712 388634414 /nfs/dbraw/zinc/63/44/14/388634414.db2.gz PAKBMFHQWFVHIA-UKRRQHHQSA-N 2 2 232.371 2.706 20 0 BFADLP Cc1cccc([C@H]([NH2+][C@@H]2CC[NH2+]C2)C(C)C)c1 ZINC000530227403 388635093 /nfs/dbraw/zinc/63/50/93/388635093.db2.gz XGHRDBKWJFJJQO-HUUCEWRRSA-N 2 2 232.371 2.644 20 0 BFADLP C[C@@H](C[N@H+](C)CC(C)(C)[NH3+])C1CCCCC1 ZINC000530247650 388639582 /nfs/dbraw/zinc/63/95/82/388639582.db2.gz BLWBRSYGVZDDNM-LBPRGKRZSA-N 2 2 226.408 2.872 20 0 BFADLP C[C@@H](C[N@@H+](C)CC(C)(C)[NH3+])C1CCCCC1 ZINC000530247650 388639585 /nfs/dbraw/zinc/63/95/85/388639585.db2.gz BLWBRSYGVZDDNM-LBPRGKRZSA-N 2 2 226.408 2.872 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC=CCC2)C[N@@H+]1C1CC1 ZINC000222826408 388645001 /nfs/dbraw/zinc/64/50/01/388645001.db2.gz SGTIVJGIXMLIAS-MCIONIFRSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC=CCC2)C[N@H+]1C1CC1 ZINC000222826408 388645003 /nfs/dbraw/zinc/64/50/03/388645003.db2.gz SGTIVJGIXMLIAS-MCIONIFRSA-N 2 2 234.387 2.558 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000246824120 388652275 /nfs/dbraw/zinc/65/22/75/388652275.db2.gz BIBOMCUWNJTERV-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H](C)C1)C1CCCC1 ZINC000246824120 388652277 /nfs/dbraw/zinc/65/22/77/388652277.db2.gz BIBOMCUWNJTERV-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000552043968 388664087 /nfs/dbraw/zinc/66/40/87/388664087.db2.gz IZGULKZATTYAPJ-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000552043968 388664090 /nfs/dbraw/zinc/66/40/90/388664090.db2.gz IZGULKZATTYAPJ-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000249992864 388735369 /nfs/dbraw/zinc/73/53/69/388735369.db2.gz NIDYFXHQZXMGAX-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000249992864 388735372 /nfs/dbraw/zinc/73/53/72/388735372.db2.gz NIDYFXHQZXMGAX-KBPBESRZSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000539079672 388747019 /nfs/dbraw/zinc/74/70/19/388747019.db2.gz LVZNSSOUQICTQN-RCBQFDQVSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000539079672 388747020 /nfs/dbraw/zinc/74/70/20/388747020.db2.gz LVZNSSOUQICTQN-RCBQFDQVSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000539079674 388747261 /nfs/dbraw/zinc/74/72/61/388747261.db2.gz LVZNSSOUQICTQN-VBNZEHGJSA-N 2 2 244.382 2.522 20 0 BFADLP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000539079674 388747262 /nfs/dbraw/zinc/74/72/62/388747262.db2.gz LVZNSSOUQICTQN-VBNZEHGJSA-N 2 2 244.382 2.522 20 0 BFADLP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000226543156 388721369 /nfs/dbraw/zinc/72/13/69/388721369.db2.gz SIZAUEVELYSPLK-IUODEOHRSA-N 2 2 232.371 2.904 20 0 BFADLP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H]([NH3+])C2)cc1 ZINC000226543156 388721370 /nfs/dbraw/zinc/72/13/70/388721370.db2.gz SIZAUEVELYSPLK-IUODEOHRSA-N 2 2 232.371 2.904 20 0 BFADLP CC(C)[N@@H+](Cc1cccc2[nH+]ccn21)CC1CC1 ZINC000539408892 388759021 /nfs/dbraw/zinc/75/90/21/388759021.db2.gz NSTDKQQPVLLVKM-UHFFFAOYSA-N 2 2 243.354 2.955 20 0 BFADLP CC(C)[N@H+](Cc1cccc2[nH+]ccn21)CC1CC1 ZINC000539408892 388759024 /nfs/dbraw/zinc/75/90/24/388759024.db2.gz NSTDKQQPVLLVKM-UHFFFAOYSA-N 2 2 243.354 2.955 20 0 BFADLP CC(C)[C@H](CCc1ccccc1)[NH2+]CC[NH+](C)C ZINC000554375348 388812351 /nfs/dbraw/zinc/81/23/51/388812351.db2.gz LKVXPMNTLKDESI-INIZCTEOSA-N 2 2 248.414 2.795 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c[nH]1)[C@H]1CCC[C@@H](C)C1 ZINC000229324295 388786434 /nfs/dbraw/zinc/78/64/34/388786434.db2.gz KYLKNQYBAWQORC-WOPDTQHZSA-N 2 2 221.348 2.714 20 0 BFADLP CCCC[C@H](CC)[NH2+]CC[N@H+](C)C(C)C ZINC000068987630 388817692 /nfs/dbraw/zinc/81/76/92/388817692.db2.gz OSWPOBUXCIOCNI-ZDUSSCGKSA-N 2 2 214.397 2.885 20 0 BFADLP CCCC[C@H](CC)[NH2+]CC[N@@H+](C)C(C)C ZINC000068987630 388817696 /nfs/dbraw/zinc/81/76/96/388817696.db2.gz OSWPOBUXCIOCNI-ZDUSSCGKSA-N 2 2 214.397 2.885 20 0 BFADLP CC(C)C1CC([NH2+][C@@H](C)C[NH+]2CCCCC2)C1 ZINC000232538519 388852550 /nfs/dbraw/zinc/85/25/50/388852550.db2.gz WSQLFWGGWHBLMW-NFOMZHRRSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)C1 ZINC000232726617 388856587 /nfs/dbraw/zinc/85/65/87/388856587.db2.gz PWLMRPRIEVVEGX-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C)C1 ZINC000232726617 388856590 /nfs/dbraw/zinc/85/65/90/388856590.db2.gz PWLMRPRIEVVEGX-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+]CC(C)(C)c1ccccc1)[NH+](C)C ZINC000648770745 388859401 /nfs/dbraw/zinc/85/94/01/388859401.db2.gz CKDURGWOGXZBAD-ZDUSSCGKSA-N 2 2 234.387 2.504 20 0 BFADLP C[NH+](C)C1CC([NH2+]Cc2ccsc2Cl)C1 ZINC000565219756 388928446 /nfs/dbraw/zinc/92/84/46/388928446.db2.gz ZMSFIBAWOBMSAP-UHFFFAOYSA-N 2 2 244.791 2.584 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[NH+]1CCC(C)CC1 ZINC000565849427 388974083 /nfs/dbraw/zinc/97/40/83/388974083.db2.gz MIPUPMPEQFLPCN-LSDHHAIUSA-N 2 2 238.419 2.743 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CCCNc2cccc[nH+]2)[C@H]1C ZINC000495051586 533647707 /nfs/dbraw/zinc/64/77/07/533647707.db2.gz ODZOZQRPVZQDNB-FRRDWIJNSA-N 2 2 233.359 2.518 20 0 BFADLP CCCCC[NH+]1CCN(c2c[nH+]ccc2C)CC1 ZINC000340600527 132222434 /nfs/dbraw/zinc/22/24/34/132222434.db2.gz ZSUBEZMTVRVYJD-UHFFFAOYSA-N 2 2 247.386 2.702 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](CC[C@H](C)F)CC2 ZINC000352043112 134045601 /nfs/dbraw/zinc/04/56/01/134045601.db2.gz ACTHIVYMEXDNRR-MJBXVCDLSA-N 2 2 242.382 2.682 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](CC[C@H](C)F)CC2 ZINC000352043112 134045602 /nfs/dbraw/zinc/04/56/02/134045602.db2.gz ACTHIVYMEXDNRR-MJBXVCDLSA-N 2 2 242.382 2.682 20 0 BFADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](CC[C@H](C)F)CC2 ZINC000352043112 134045603 /nfs/dbraw/zinc/04/56/03/134045603.db2.gz ACTHIVYMEXDNRR-MJBXVCDLSA-N 2 2 242.382 2.682 20 0 BFADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](CC[C@H](C)F)CC2 ZINC000352043112 134045604 /nfs/dbraw/zinc/04/56/04/134045604.db2.gz ACTHIVYMEXDNRR-MJBXVCDLSA-N 2 2 242.382 2.682 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCn2c[nH+]cc2C1 ZINC000336009753 134050494 /nfs/dbraw/zinc/05/04/94/134050494.db2.gz BNYAYXUIXRSGIE-CHWSQXEVSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCn2c[nH+]cc2C1 ZINC000336009753 134050495 /nfs/dbraw/zinc/05/04/95/134050495.db2.gz BNYAYXUIXRSGIE-CHWSQXEVSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000336148061 134103246 /nfs/dbraw/zinc/10/32/46/134103246.db2.gz UGKALDCQCYUCNS-VXGBXAGGSA-N 2 2 229.327 2.613 20 0 BFADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000352297782 134139279 /nfs/dbraw/zinc/13/92/79/134139279.db2.gz OWUZIGKWFUKIAE-NFAWXSAZSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000352297782 134139280 /nfs/dbraw/zinc/13/92/80/134139280.db2.gz OWUZIGKWFUKIAE-NFAWXSAZSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCC[NH+](CC2CC2)C1 ZINC000352297781 134139382 /nfs/dbraw/zinc/13/93/82/134139382.db2.gz OWUZIGKWFUKIAE-GUTXKFCHSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCC[NH+](CC2CC2)C1 ZINC000352297781 134139383 /nfs/dbraw/zinc/13/93/83/134139383.db2.gz OWUZIGKWFUKIAE-GUTXKFCHSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000352297781 134139384 /nfs/dbraw/zinc/13/93/84/134139384.db2.gz OWUZIGKWFUKIAE-GUTXKFCHSA-N 2 2 236.403 2.734 20 0 BFADLP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000352297781 134139385 /nfs/dbraw/zinc/13/93/85/134139385.db2.gz OWUZIGKWFUKIAE-GUTXKFCHSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)CC[N@@H+]1CC[NH2+]CC12CCCCC2 ZINC000084856538 134159423 /nfs/dbraw/zinc/15/94/23/134159423.db2.gz HYLAYZKTYJCQAW-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)CC[N@H+]1CC[NH2+]CC12CCCCC2 ZINC000084856538 134159424 /nfs/dbraw/zinc/15/94/24/134159424.db2.gz HYLAYZKTYJCQAW-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC[C@@H]([NH2+][C@H](C)C[NH+](C)C)c1ccc(C)cc1 ZINC000168757126 134247828 /nfs/dbraw/zinc/24/78/28/134247828.db2.gz SBKRKGRTLIPMSR-UKRRQHHQSA-N 2 2 234.387 2.986 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000217504135 134249062 /nfs/dbraw/zinc/24/90/62/134249062.db2.gz BSYQEJSOFMLULT-ZIAGYGMSSA-N 2 2 236.334 2.700 20 0 BFADLP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000217504135 134249063 /nfs/dbraw/zinc/24/90/63/134249063.db2.gz BSYQEJSOFMLULT-ZIAGYGMSSA-N 2 2 236.334 2.700 20 0 BFADLP CC[N@H+](CC[NH2+]C[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000218922651 134269023 /nfs/dbraw/zinc/26/90/23/134269023.db2.gz VBSZJGPTBRQBNN-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC[N@@H+](CC[NH2+]C[C@@H]1CCC[C@@H](C)C1)C1CC1 ZINC000218922651 134269024 /nfs/dbraw/zinc/26/90/24/134269024.db2.gz VBSZJGPTBRQBNN-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000176102357 134290434 /nfs/dbraw/zinc/29/04/34/134290434.db2.gz SOMROOGJUZXOTO-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@@H]1C[NH+]1CCCC1 ZINC000176102357 134290435 /nfs/dbraw/zinc/29/04/35/134290435.db2.gz SOMROOGJUZXOTO-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@@H](C)[N@H+](C)CCNc1[nH]c2ccccc2[nH+]1 ZINC000220337421 134304105 /nfs/dbraw/zinc/30/41/05/134304105.db2.gz AXLINZAVSJKOAZ-LLVKDONJSA-N 2 2 246.358 2.705 20 0 BFADLP CC[C@@H](C)[N@@H+](C)CCNc1[nH]c2ccccc2[nH+]1 ZINC000220337421 134304106 /nfs/dbraw/zinc/30/41/06/134304106.db2.gz AXLINZAVSJKOAZ-LLVKDONJSA-N 2 2 246.358 2.705 20 0 BFADLP Cc1ccc(C)c([N@H+](C)CC2CC[NH2+]CC2)c1 ZINC000178962045 134313690 /nfs/dbraw/zinc/31/36/90/134313690.db2.gz IECIHUUPSTUIIX-UHFFFAOYSA-N 2 2 232.371 2.739 20 0 BFADLP Cc1ccc(C)c([N@@H+](C)CC2CC[NH2+]CC2)c1 ZINC000178962045 134313691 /nfs/dbraw/zinc/31/36/91/134313691.db2.gz IECIHUUPSTUIIX-UHFFFAOYSA-N 2 2 232.371 2.739 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C)CC(C)(C)C1 ZINC000221148667 134317207 /nfs/dbraw/zinc/31/72/07/134317207.db2.gz GNZGUNGSFZISEE-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C)CC(C)(C)C1 ZINC000221148667 134317208 /nfs/dbraw/zinc/31/72/08/134317208.db2.gz GNZGUNGSFZISEE-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C1=CC[C@H](C[N@H+]2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000179642168 134322762 /nfs/dbraw/zinc/32/27/62/134322762.db2.gz GIVQUGXDIINDBI-JKSUJKDBSA-N 2 2 248.414 2.903 20 0 BFADLP C1=CC[C@H](C[N@@H+]2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000179642168 134322763 /nfs/dbraw/zinc/32/27/63/134322763.db2.gz GIVQUGXDIINDBI-JKSUJKDBSA-N 2 2 248.414 2.903 20 0 BFADLP c1[nH]c(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000179680240 134323477 /nfs/dbraw/zinc/32/34/77/134323477.db2.gz GQQKUUNZIJJZGJ-AAEUAGOBSA-N 2 2 219.332 2.564 20 0 BFADLP c1[nH]c(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)c[nH+]1 ZINC000179680240 134323478 /nfs/dbraw/zinc/32/34/78/134323478.db2.gz GQQKUUNZIJJZGJ-AAEUAGOBSA-N 2 2 219.332 2.564 20 0 BFADLP CC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000182174631 134342433 /nfs/dbraw/zinc/34/24/33/134342433.db2.gz NCYKLLZGOKFSSJ-ZIAGYGMSSA-N 2 2 234.387 2.895 20 0 BFADLP CC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000182174631 134342434 /nfs/dbraw/zinc/34/24/34/134342434.db2.gz NCYKLLZGOKFSSJ-ZIAGYGMSSA-N 2 2 234.387 2.895 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2)[C@@H](C)C1 ZINC000226182960 134359948 /nfs/dbraw/zinc/35/99/48/134359948.db2.gz VUNWNIAPNPSUSF-HZSPNIEDSA-N 2 2 235.375 2.688 20 0 BFADLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000226772733 134369086 /nfs/dbraw/zinc/36/90/86/134369086.db2.gz CPSFSDCODAOPFJ-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000226772733 134369087 /nfs/dbraw/zinc/36/90/87/134369087.db2.gz CPSFSDCODAOPFJ-ZIAGYGMSSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]1CC[C@H]([NH2+]CC[NH+]2CCCCCC2)C1 ZINC000070761912 135011657 /nfs/dbraw/zinc/01/16/57/135011657.db2.gz NMQVLGDXEGDCSL-KBPBESRZSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@H]1C[C@H]([NH2+]CC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000251717654 135075923 /nfs/dbraw/zinc/07/59/23/135075923.db2.gz BWMKPWJIINVLPP-FICVDOATSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000251819025 135078295 /nfs/dbraw/zinc/07/82/95/135078295.db2.gz PBZXJGKFHDGDEP-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000251819025 135078297 /nfs/dbraw/zinc/07/82/97/135078297.db2.gz PBZXJGKFHDGDEP-RDBSUJKOSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000251861501 135080354 /nfs/dbraw/zinc/08/03/54/135080354.db2.gz PWEYJAWMMNFJFJ-IHRRRGAJSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000251861501 135080357 /nfs/dbraw/zinc/08/03/57/135080357.db2.gz PWEYJAWMMNFJFJ-IHRRRGAJSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000251861502 135080729 /nfs/dbraw/zinc/08/07/29/135080729.db2.gz PWEYJAWMMNFJFJ-MELADBBJSA-N 2 2 226.408 2.870 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000251861502 135080730 /nfs/dbraw/zinc/08/07/30/135080730.db2.gz PWEYJAWMMNFJFJ-MELADBBJSA-N 2 2 226.408 2.870 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000252086726 135082358 /nfs/dbraw/zinc/08/23/58/135082358.db2.gz GOZVUGRBJGHRDR-RQJABVFESA-N 2 2 235.375 2.686 20 0 BFADLP CCC(CC)[N@H+](CC(C)C)CC(C)(C)[NH3+] ZINC000086453699 135085580 /nfs/dbraw/zinc/08/55/80/135085580.db2.gz VVVROESYOZDLSX-UHFFFAOYSA-N 2 2 214.397 2.870 20 0 BFADLP CCC(CC)[N@@H+](CC(C)C)CC(C)(C)[NH3+] ZINC000086453699 135085582 /nfs/dbraw/zinc/08/55/82/135085582.db2.gz VVVROESYOZDLSX-UHFFFAOYSA-N 2 2 214.397 2.870 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCC2)C[C@H]1C ZINC000252919576 135116442 /nfs/dbraw/zinc/11/64/42/135116442.db2.gz DPEUMHKAHWYLMO-MGPQQGTHSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]([NH3+])C[N@H+](C)Cc1ccc2ccccc2c1 ZINC000258707374 135133469 /nfs/dbraw/zinc/13/34/69/135133469.db2.gz HOLMQQOARPYLQU-LBPRGKRZSA-N 2 2 228.339 2.619 20 0 BFADLP C[C@H]([NH3+])C[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000258707374 135133471 /nfs/dbraw/zinc/13/34/71/135133471.db2.gz HOLMQQOARPYLQU-LBPRGKRZSA-N 2 2 228.339 2.619 20 0 BFADLP C(CC1CCCCC1)[NH2+]CC[NH+]1CCCC1 ZINC000087473323 135142227 /nfs/dbraw/zinc/14/22/27/135142227.db2.gz FPFYTYUXFNAYKQ-UHFFFAOYSA-N 2 2 224.392 2.642 20 0 BFADLP C[C@H](C[NH3+])[N@H+](C)Cc1ccc2ccccc2c1 ZINC000260034699 135146527 /nfs/dbraw/zinc/14/65/27/135146527.db2.gz LRTFHDJEOVGDDQ-GFCCVEGCSA-N 2 2 228.339 2.619 20 0 BFADLP C[C@H](C[NH3+])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000260034699 135146528 /nfs/dbraw/zinc/14/65/28/135146528.db2.gz LRTFHDJEOVGDDQ-GFCCVEGCSA-N 2 2 228.339 2.619 20 0 BFADLP C[C@@H](C[NH3+])[N@H+](C)Cc1ccc2ccccc2c1 ZINC000260034703 135147066 /nfs/dbraw/zinc/14/70/66/135147066.db2.gz LRTFHDJEOVGDDQ-LBPRGKRZSA-N 2 2 228.339 2.619 20 0 BFADLP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccc2ccccc2c1 ZINC000260034703 135147068 /nfs/dbraw/zinc/14/70/68/135147068.db2.gz LRTFHDJEOVGDDQ-LBPRGKRZSA-N 2 2 228.339 2.619 20 0 BFADLP C[C@@H](c1ccccc1Cl)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261535445 135169925 /nfs/dbraw/zinc/16/99/25/135169925.db2.gz YYLFQYYRDMIALZ-GBIKHYSHSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H](c1ccccc1Cl)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261535445 135169926 /nfs/dbraw/zinc/16/99/26/135169926.db2.gz YYLFQYYRDMIALZ-GBIKHYSHSA-N 2 2 238.762 2.680 20 0 BFADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccccc1Cl ZINC000261538864 135177208 /nfs/dbraw/zinc/17/72/08/135177208.db2.gz ZRAVGMMGPYNHFW-SECBINFHSA-N 2 2 226.751 2.728 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccc3ccccc3c2)C[C@H]1[NH3+] ZINC000261551464 135190683 /nfs/dbraw/zinc/19/06/83/135190683.db2.gz VLUDTZGVMBXZGF-BLLLJJGKSA-N 2 2 240.350 2.619 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccc3ccccc3c2)C[C@H]1[NH3+] ZINC000261551464 135190685 /nfs/dbraw/zinc/19/06/85/135190685.db2.gz VLUDTZGVMBXZGF-BLLLJJGKSA-N 2 2 240.350 2.619 20 0 BFADLP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1cc2ccccc2o1 ZINC000261558828 135199448 /nfs/dbraw/zinc/19/94/48/135199448.db2.gz SSEOMEKIXXUUHN-SNVBAGLBSA-N 2 2 232.327 2.821 20 0 BFADLP CC(C)Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261564696 135206582 /nfs/dbraw/zinc/20/65/82/135206582.db2.gz HJQYFYSWSMZMLG-CJNGLKHVSA-N 2 2 246.398 2.807 20 0 BFADLP CC(C)Cc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H]2C)cc1 ZINC000261564696 135206584 /nfs/dbraw/zinc/20/65/84/135206584.db2.gz HJQYFYSWSMZMLG-CJNGLKHVSA-N 2 2 246.398 2.807 20 0 BFADLP CC1(C)CC[C@H]1[NH2+]C[C@@H]1[NH2+]CCc2ccccc21 ZINC000261581874 135222043 /nfs/dbraw/zinc/22/20/43/135222043.db2.gz QVPPVVXXINDDAQ-LSDHHAIUSA-N 2 2 244.382 2.652 20 0 BFADLP CCC(C)(C)[C@@H]1CCC[N@@H+]1CC(C)(C)[NH3+] ZINC000261592921 135233748 /nfs/dbraw/zinc/23/37/48/135233748.db2.gz WHHYIDGNNHDGAJ-NSHDSACASA-N 2 2 212.381 2.624 20 0 BFADLP CCC(C)(C)[C@@H]1CCC[N@H+]1CC(C)(C)[NH3+] ZINC000261592921 135233749 /nfs/dbraw/zinc/23/37/49/135233749.db2.gz WHHYIDGNNHDGAJ-NSHDSACASA-N 2 2 212.381 2.624 20 0 BFADLP C[NH2+]CC[N@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000261773915 135251232 /nfs/dbraw/zinc/25/12/32/135251232.db2.gz DWRMDRWIVRSJRT-LLVKDONJSA-N 2 2 240.778 2.595 20 0 BFADLP C[NH2+]CC[N@@H+](C)C[C@@H](C)c1cccc(Cl)c1 ZINC000261773915 135251233 /nfs/dbraw/zinc/25/12/33/135251233.db2.gz DWRMDRWIVRSJRT-LLVKDONJSA-N 2 2 240.778 2.595 20 0 BFADLP C[C@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@@H]1[NH3+] ZINC000261975189 135269183 /nfs/dbraw/zinc/26/91/83/135269183.db2.gz IQKXLEOEKSDZGO-GWCFXTLKSA-N 2 2 246.379 2.680 20 0 BFADLP C[C@H]1C[N@@H+](Cc2cc3ccccc3s2)C[C@@H]1[NH3+] ZINC000261975189 135269184 /nfs/dbraw/zinc/26/91/84/135269184.db2.gz IQKXLEOEKSDZGO-GWCFXTLKSA-N 2 2 246.379 2.680 20 0 BFADLP CCc1ccc(C[N@H+](C)CCn2cc[nH+]c2)cc1 ZINC000342559158 135288838 /nfs/dbraw/zinc/28/88/38/135288838.db2.gz XXXYUHVOCXTCKM-UHFFFAOYSA-N 2 2 243.354 2.578 20 0 BFADLP CCc1ccc(C[N@@H+](C)CCn2cc[nH+]c2)cc1 ZINC000342559158 135288839 /nfs/dbraw/zinc/28/88/39/135288839.db2.gz XXXYUHVOCXTCKM-UHFFFAOYSA-N 2 2 243.354 2.578 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000262284397 135290500 /nfs/dbraw/zinc/29/05/00/135290500.db2.gz ZNZGLSJLSMJNCU-BLLLJJGKSA-N 2 2 240.350 2.852 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]CC[N@@H+]1CCCC(C)(C)C1 ZINC000342583762 135292640 /nfs/dbraw/zinc/29/26/40/135292640.db2.gz WAMNLJFAJFKNRD-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP CC1(C)CC[C@@H]1[NH2+]CC[N@H+]1CCCC(C)(C)C1 ZINC000342583762 135292641 /nfs/dbraw/zinc/29/26/41/135292641.db2.gz WAMNLJFAJFKNRD-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP CCC1CC([NH2+]CCc2cn3c([nH+]2)CCCC3)C1 ZINC000342630302 135297593 /nfs/dbraw/zinc/29/75/93/135297593.db2.gz TXILMFNRVVGVQW-UHFFFAOYSA-N 2 2 247.386 2.540 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000342611759 135303282 /nfs/dbraw/zinc/30/32/82/135303282.db2.gz FWSUREHZYPWHBW-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000342611759 135303284 /nfs/dbraw/zinc/30/32/84/135303284.db2.gz FWSUREHZYPWHBW-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000342611755 135303289 /nfs/dbraw/zinc/30/32/89/135303289.db2.gz FWSUREHZYPWHBW-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC1(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000342611755 135303290 /nfs/dbraw/zinc/30/32/90/135303290.db2.gz FWSUREHZYPWHBW-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CCC1CC([NH2+]CCCNc2cccc[nH+]2)C1 ZINC000342695563 135306785 /nfs/dbraw/zinc/30/67/85/135306785.db2.gz AVUPRGIINKHVJU-UHFFFAOYSA-N 2 2 233.359 2.662 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000079977260 135364965 /nfs/dbraw/zinc/36/49/65/135364965.db2.gz UMQYMOSSTAKSSP-CHWSQXEVSA-N 2 2 235.375 2.830 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081625099 135388581 /nfs/dbraw/zinc/38/85/81/135388581.db2.gz HFZIRPYNDSAENK-ZIAGYGMSSA-N 2 2 238.419 2.885 20 0 BFADLP C(C[NH+]1CCCC1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081625183 135388984 /nfs/dbraw/zinc/38/89/84/135388984.db2.gz RSVXDJMNXPLOKZ-LSDHHAIUSA-N 2 2 236.403 2.641 20 0 BFADLP C[C@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C)(C)CC1 ZINC000079626859 135397085 /nfs/dbraw/zinc/39/70/85/135397085.db2.gz GSCJJFARGIPKLR-GFCCVEGCSA-N 2 2 235.375 2.830 20 0 BFADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]C1CCC(C)(C)CC1 ZINC000079626857 135397119 /nfs/dbraw/zinc/39/71/19/135397119.db2.gz GSCJJFARGIPKLR-LBPRGKRZSA-N 2 2 235.375 2.830 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)C1(C)CC1 ZINC000090846846 135554102 /nfs/dbraw/zinc/55/41/02/135554102.db2.gz NSXQUDACXMIJFW-LBPRGKRZSA-N 2 2 218.344 2.711 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000348125476 136033138 /nfs/dbraw/zinc/03/31/38/136033138.db2.gz OWGWATCGQZLYKL-IPYPFGDCSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000348125476 136033139 /nfs/dbraw/zinc/03/31/39/136033139.db2.gz OWGWATCGQZLYKL-IPYPFGDCSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)[N@H+](C)C1CC1 ZINC000348123615 136033216 /nfs/dbraw/zinc/03/32/16/136033216.db2.gz VPECQGNGQGHXOS-BNOWGMLFSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H]1C(C)(C)C)[N@@H+](C)C1CC1 ZINC000348123615 136033217 /nfs/dbraw/zinc/03/32/17/136033217.db2.gz VPECQGNGQGHXOS-BNOWGMLFSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000348096178 136035798 /nfs/dbraw/zinc/03/57/98/136035798.db2.gz MDEXNHIVHSSBSV-MELADBBJSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)C[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000348096178 136035799 /nfs/dbraw/zinc/03/57/99/136035799.db2.gz MDEXNHIVHSSBSV-MELADBBJSA-N 2 2 238.419 2.883 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000348101942 136036077 /nfs/dbraw/zinc/03/60/77/136036077.db2.gz JSWLZPUWSARXDO-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000348101942 136036078 /nfs/dbraw/zinc/03/60/78/136036078.db2.gz JSWLZPUWSARXDO-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP CC1(C)CCC[C@H]([NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000335339106 136045115 /nfs/dbraw/zinc/04/51/15/136045115.db2.gz GYPAJLKJQPLMIP-OLZOCXBDSA-N 2 2 247.386 2.756 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000348255934 136057331 /nfs/dbraw/zinc/05/73/31/136057331.db2.gz LXHAPJMIYKNSEN-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000348255934 136057332 /nfs/dbraw/zinc/05/73/32/136057332.db2.gz LXHAPJMIYKNSEN-SNPRPXQTSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)[N@H+](C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348251108 136057438 /nfs/dbraw/zinc/05/74/38/136057438.db2.gz YDRKCATVFPYBAT-HOTGVXAUSA-N 2 2 246.398 2.720 20 0 BFADLP CC(C)[N@@H+](C)CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348251108 136057439 /nfs/dbraw/zinc/05/74/39/136057439.db2.gz YDRKCATVFPYBAT-HOTGVXAUSA-N 2 2 246.398 2.720 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)C[NH+](C)C)CCC2 ZINC000348273896 136058685 /nfs/dbraw/zinc/05/86/85/136058685.db2.gz AHZLQPPTVKCOCB-CZUORRHYSA-N 2 2 246.398 2.912 20 0 BFADLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000348297538 136063134 /nfs/dbraw/zinc/06/31/34/136063134.db2.gz ZLGKCBNJLOACIS-BMFZPTHFSA-N 2 2 246.398 2.862 20 0 BFADLP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CCC1 ZINC000348309511 136066498 /nfs/dbraw/zinc/06/64/98/136066498.db2.gz PPMNRKCGPVCAQL-CHWSQXEVSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc([C@H]([NH2+]CC[NH+](C)C)C2CCC2)cc1 ZINC000348308822 136066814 /nfs/dbraw/zinc/06/68/14/136066814.db2.gz AJJBENPHVVKRLW-MRXNPFEDSA-N 2 2 246.398 2.987 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1C[C@@H]1CCCCC1(C)C ZINC000662275622 487528771 /nfs/dbraw/zinc/52/87/71/487528771.db2.gz CZLIONGYLDSUOF-AVGNSLFASA-N 2 2 224.392 2.624 20 0 BFADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1C[C@@H]1CCCCC1(C)C ZINC000662275622 487528776 /nfs/dbraw/zinc/52/87/76/487528776.db2.gz CZLIONGYLDSUOF-AVGNSLFASA-N 2 2 224.392 2.624 20 0 BFADLP C[C@@H]1CC[C@H]([N@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000433043169 397915497 /nfs/dbraw/zinc/91/54/97/397915497.db2.gz ZZXBKODAGUXLCW-OLZOCXBDSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc3[nH+]ccn32)C1 ZINC000433043169 397915505 /nfs/dbraw/zinc/91/55/05/397915505.db2.gz ZZXBKODAGUXLCW-OLZOCXBDSA-N 2 2 243.354 2.955 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc21 ZINC000643538419 397918428 /nfs/dbraw/zinc/91/84/28/397918428.db2.gz JXZTXKPRCNHHGO-OXJKWZBOSA-N 2 2 248.345 2.525 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000371528472 397994713 /nfs/dbraw/zinc/99/47/13/397994713.db2.gz MBQKUMLSJTZFGC-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[NH+]2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000371528472 397994714 /nfs/dbraw/zinc/99/47/14/397994714.db2.gz MBQKUMLSJTZFGC-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000371528472 397994722 /nfs/dbraw/zinc/99/47/22/397994722.db2.gz MBQKUMLSJTZFGC-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@H]3CC[NH+](C)C[C@@H]32)cc1 ZINC000371528472 397994724 /nfs/dbraw/zinc/99/47/24/397994724.db2.gz MBQKUMLSJTZFGC-HOTGVXAUSA-N 2 2 244.382 2.521 20 0 BFADLP CC[C@H](C)C[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000093066428 398093817 /nfs/dbraw/zinc/09/38/17/398093817.db2.gz UBEUGLHLVXAJSJ-JSGCOSHPSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1ccnc([C@H](C)[NH2+]CCC[NH+]2CCCC2)c1 ZINC000285656537 398080034 /nfs/dbraw/zinc/08/00/34/398080034.db2.gz MOCVBYPXTCOASC-AWEZNQCLSA-N 2 2 247.386 2.527 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]C[C@@H](C)[NH+](C)C ZINC000038088422 171296176 /nfs/dbraw/zinc/29/61/76/171296176.db2.gz YOJXBLQDCVFGOI-YNEHKIRRSA-N 2 2 214.397 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000393343559 487572647 /nfs/dbraw/zinc/57/26/47/487572647.db2.gz CFAKBCOLZLRZRF-GXTWGEPZSA-N 2 2 248.370 2.527 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccc(O)c2)C1 ZINC000393343559 487572650 /nfs/dbraw/zinc/57/26/50/487572650.db2.gz CFAKBCOLZLRZRF-GXTWGEPZSA-N 2 2 248.370 2.527 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2)CC1 ZINC000086906697 487583244 /nfs/dbraw/zinc/58/32/44/487583244.db2.gz MDTHAEDDMRLEKM-ZIAGYGMSSA-N 2 2 235.375 2.832 20 0 BFADLP CCC[N@H+](C[C@H](CC)CC(F)F)[C@H]1CC[NH2+]C1 ZINC000662245209 409538508 /nfs/dbraw/zinc/53/85/08/409538508.db2.gz IWLHSXCLUSKBIC-NEPJUHHUSA-N 2 2 248.361 2.742 20 0 BFADLP CCC[N@@H+](C[C@H](CC)CC(F)F)[C@H]1CC[NH2+]C1 ZINC000662245209 409538515 /nfs/dbraw/zinc/53/85/15/409538515.db2.gz IWLHSXCLUSKBIC-NEPJUHHUSA-N 2 2 248.361 2.742 20 0 BFADLP C[C@@H](C[NH2+]C(C)(C)C[NH+](C)C)C(C)(C)C ZINC000308609917 409890480 /nfs/dbraw/zinc/89/04/80/409890480.db2.gz UNDKACBMGNHKPX-NSHDSACASA-N 2 2 214.397 2.598 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[NH2+]C[C@H](C)C1)CC2 ZINC000650715072 410349966 /nfs/dbraw/zinc/34/99/66/410349966.db2.gz OBCRDDYXTDJFNI-XNRPHZJLSA-N 2 2 244.382 2.570 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300139751 410289309 /nfs/dbraw/zinc/28/93/09/410289309.db2.gz OQWNJZABINHQEA-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000300139751 410289319 /nfs/dbraw/zinc/28/93/19/410289319.db2.gz OQWNJZABINHQEA-MCIONIFRSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000665238323 410725941 /nfs/dbraw/zinc/72/59/41/410725941.db2.gz WAKXEAQWHGVRIA-BXUZGUMPSA-N 2 2 244.338 2.520 20 0 BFADLP C[C@@H]([NH2+]Cc1ccc2occc2c1)[C@H]1CCC[NH2+]1 ZINC000665237986 410728576 /nfs/dbraw/zinc/72/85/76/410728576.db2.gz OCNVVTLJUSOXCY-BXUZGUMPSA-N 2 2 244.338 2.663 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](C)c1cc(C)cc(C)c1 ZINC000665294158 410782974 /nfs/dbraw/zinc/78/29/74/410782974.db2.gz JLJKLDOVFJSLEF-STQMWFEESA-N 2 2 220.360 2.562 20 0 BFADLP CC[N@H+](CC[NH2+][C@H](C)C(C)(C)CC)C1CC1 ZINC000651214385 410867209 /nfs/dbraw/zinc/86/72/09/410867209.db2.gz JRURLZJIEGJKGO-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H](C)C(C)(C)CC)C1CC1 ZINC000651214385 410867217 /nfs/dbraw/zinc/86/72/17/410867217.db2.gz JRURLZJIEGJKGO-GFCCVEGCSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000047888618 167009963 /nfs/dbraw/zinc/00/99/63/167009963.db2.gz NJSVOHPMDRUNOG-UHFFFAOYSA-N 2 2 243.354 2.677 20 0 BFADLP CC(C)C[NH2+][C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000307438896 167012980 /nfs/dbraw/zinc/01/29/80/167012980.db2.gz MXIGBAYIMMNACB-CQSZACIVSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)C[NH2+][C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000307438896 167012982 /nfs/dbraw/zinc/01/29/82/167012982.db2.gz MXIGBAYIMMNACB-CQSZACIVSA-N 2 2 234.387 2.753 20 0 BFADLP CC(C)[N@@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000045650613 167024360 /nfs/dbraw/zinc/02/43/60/167024360.db2.gz HFVPDKKKOHUQFZ-AWEZNQCLSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)[N@H+]1CC[C@H]([NH2+]C2CCCCCC2)C1 ZINC000045650613 167024364 /nfs/dbraw/zinc/02/43/64/167024364.db2.gz HFVPDKKKOHUQFZ-AWEZNQCLSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000264457848 167095109 /nfs/dbraw/zinc/09/51/09/167095109.db2.gz JOKZLYKQAVADNQ-ZDUSSCGKSA-N 2 2 247.386 2.605 20 0 BFADLP c1cn(CC[N@@H+]2CC[C@H](C3CCCCC3)C2)c[nH+]1 ZINC000661578332 410907912 /nfs/dbraw/zinc/90/79/12/410907912.db2.gz KXOLIYBPPXIXQY-HNNXBMFYSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CC[N@H+]2CC[C@H](C3CCCCC3)C2)c[nH+]1 ZINC000661578332 410907917 /nfs/dbraw/zinc/90/79/17/410907917.db2.gz KXOLIYBPPXIXQY-HNNXBMFYSA-N 2 2 247.386 2.785 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CC[N@H+](C)C(C)C ZINC000651694595 411136717 /nfs/dbraw/zinc/13/67/17/411136717.db2.gz JKUIQKLHBTWATC-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CC[N@@H+](C)C(C)C ZINC000651694595 411136718 /nfs/dbraw/zinc/13/67/18/411136718.db2.gz JKUIQKLHBTWATC-UONOGXRCSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000651768141 411142809 /nfs/dbraw/zinc/14/28/09/411142809.db2.gz ZDYFPAYWWWHNNJ-VNHYZAJKSA-N 2 2 247.386 2.756 20 0 BFADLP C[C@@H]1CCCCC[C@H]1[NH2+]CCc1cn(C)c[nH+]1 ZINC000651828464 411146495 /nfs/dbraw/zinc/14/64/95/411146495.db2.gz LCMKCEHLTQXICQ-TZMCWYRMSA-N 2 2 235.375 2.521 20 0 BFADLP CC[C@]1(C)CCC[C@@H]1[NH2+]CC1([NH+](C)C)CC1 ZINC000651833378 411147056 /nfs/dbraw/zinc/14/70/56/411147056.db2.gz ZUUDMGPDQYEWKE-QWHCGFSZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]([NH2+]CC[N@@H+]1CC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657899694 411160317 /nfs/dbraw/zinc/16/03/17/411160317.db2.gz KVSYYWDOLVCOGX-MNOVXSKESA-N 2 2 248.361 2.598 20 0 BFADLP C[C@H]([NH2+]CC[N@H+]1CC[C@@H](C)C1)C(C)(C)C(F)F ZINC000657899694 411160320 /nfs/dbraw/zinc/16/03/20/411160320.db2.gz KVSYYWDOLVCOGX-MNOVXSKESA-N 2 2 248.361 2.598 20 0 BFADLP CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658091905 411242312 /nfs/dbraw/zinc/24/23/12/411242312.db2.gz NTSUWYVGMJOADO-VXGBXAGGSA-N 2 2 212.381 2.637 20 0 BFADLP CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658091905 411242317 /nfs/dbraw/zinc/24/23/17/411242317.db2.gz NTSUWYVGMJOADO-VXGBXAGGSA-N 2 2 212.381 2.637 20 0 BFADLP C[C@H]1C[C@H](C)C[NH+](CC[N@@H+]2CCCC2(C)C)C1 ZINC000659878014 411170631 /nfs/dbraw/zinc/17/06/31/411170631.db2.gz XARNPSHGDJPHDG-KBPBESRZSA-N 2 2 238.419 2.839 20 0 BFADLP C[C@H]1C[C@H](C)C[NH+](CC[N@H+]2CCCC2(C)C)C1 ZINC000659878014 411170635 /nfs/dbraw/zinc/17/06/35/411170635.db2.gz XARNPSHGDJPHDG-KBPBESRZSA-N 2 2 238.419 2.839 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1 ZINC000658091396 411242745 /nfs/dbraw/zinc/24/27/45/411242745.db2.gz MCMVSDQEDWJXBP-OLZOCXBDSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@H]([NH2+][C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC1 ZINC000658091396 411242746 /nfs/dbraw/zinc/24/27/46/411242746.db2.gz MCMVSDQEDWJXBP-OLZOCXBDSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000658094764 411243727 /nfs/dbraw/zinc/24/37/27/411243727.db2.gz ASFWSFGKCMDHTA-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000658094764 411243729 /nfs/dbraw/zinc/24/37/29/411243729.db2.gz ASFWSFGKCMDHTA-AGIUHOORSA-N 2 2 224.392 2.637 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C ZINC000658055024 411220896 /nfs/dbraw/zinc/22/08/96/411220896.db2.gz HJYGTFCDPMZWQR-NWDGAFQWSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)C(C)(C)C ZINC000658055024 411220898 /nfs/dbraw/zinc/22/08/98/411220898.db2.gz HJYGTFCDPMZWQR-NWDGAFQWSA-N 2 2 226.408 2.883 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C)c1ccoc1 ZINC000658053924 411221143 /nfs/dbraw/zinc/22/11/43/411221143.db2.gz BYVXNWMSUZAZLY-DGCLKSJQSA-N 2 2 236.359 2.803 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CC[N@H+]1C(C)(C)C)c1ccoc1 ZINC000658053924 411221146 /nfs/dbraw/zinc/22/11/46/411221146.db2.gz BYVXNWMSUZAZLY-DGCLKSJQSA-N 2 2 236.359 2.803 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000658058132 411225669 /nfs/dbraw/zinc/22/56/69/411225669.db2.gz CXIJSQBEBRIOGS-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000658058132 411225671 /nfs/dbraw/zinc/22/56/71/411225671.db2.gz CXIJSQBEBRIOGS-STQMWFEESA-N 2 2 236.403 2.782 20 0 BFADLP C1CC2(C1)CC([NH2+][C@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000656276643 411227454 /nfs/dbraw/zinc/22/74/54/411227454.db2.gz HSCTYRORPDJRPL-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC([NH2+][C@H]1CCC[N@H+]3CCCC[C@H]13)C2 ZINC000656276643 411227455 /nfs/dbraw/zinc/22/74/55/411227455.db2.gz HSCTYRORPDJRPL-LSDHHAIUSA-N 2 2 248.414 2.926 20 0 BFADLP CCC(CC)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000656278766 411229315 /nfs/dbraw/zinc/22/93/15/411229315.db2.gz UJRLICDDVVDZDH-ZIAGYGMSSA-N 2 2 224.392 2.782 20 0 BFADLP CCC(CC)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000656278766 411229318 /nfs/dbraw/zinc/22/93/18/411229318.db2.gz UJRLICDDVVDZDH-ZIAGYGMSSA-N 2 2 224.392 2.782 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000658089631 411241136 /nfs/dbraw/zinc/24/11/36/411241136.db2.gz AMJWBPSSYXLLRH-CYBMUJFWSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000658089631 411241141 /nfs/dbraw/zinc/24/11/41/411241141.db2.gz AMJWBPSSYXLLRH-CYBMUJFWSA-N 2 2 236.403 2.637 20 0 BFADLP CCCC[NH+](C)CC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655710645 411263480 /nfs/dbraw/zinc/26/34/80/411263480.db2.gz BGKQTCHAXPWJFB-OLZOCXBDSA-N 2 2 244.448 2.592 20 0 BFADLP Cc1ccc(CCC[NH+]2CC(C(F)F)C2)c[nH+]1 ZINC000656690719 411330585 /nfs/dbraw/zinc/33/05/85/411330585.db2.gz OXJRPGCFKKRUSL-UHFFFAOYSA-N 2 2 240.297 2.520 20 0 BFADLP CC(C)CC1([NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000658320718 411332162 /nfs/dbraw/zinc/33/21/62/411332162.db2.gz FMAFBLDCAGGACW-OLZOCXBDSA-N 2 2 236.403 2.780 20 0 BFADLP CC(C)CC1([NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000658320718 411332165 /nfs/dbraw/zinc/33/21/65/411332165.db2.gz FMAFBLDCAGGACW-OLZOCXBDSA-N 2 2 236.403 2.780 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC000660128408 411249489 /nfs/dbraw/zinc/24/94/89/411249489.db2.gz LYRUVVBDNLSIIL-AWEZNQCLSA-N 2 2 247.386 2.790 20 0 BFADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCCC2CCC2)C1 ZINC000660128408 411249491 /nfs/dbraw/zinc/24/94/91/411249491.db2.gz LYRUVVBDNLSIIL-AWEZNQCLSA-N 2 2 247.386 2.790 20 0 BFADLP Cc1cccc(NCc2[nH+]ccn2C(C)C)[nH+]1 ZINC000656767477 411363560 /nfs/dbraw/zinc/36/35/60/411363560.db2.gz MHBXMYHLBZDNFO-UHFFFAOYSA-N 2 2 230.315 2.780 20 0 BFADLP c1[nH+]cn2c1C[N@H+](CCC1=CCCCC1)CC2 ZINC000660583933 411338002 /nfs/dbraw/zinc/33/80/02/411338002.db2.gz OQQDVDAPSCZUNO-UHFFFAOYSA-N 2 2 231.343 2.589 20 0 BFADLP c1[nH+]cn2c1C[N@@H+](CCC1=CCCCC1)CC2 ZINC000660583933 411338005 /nfs/dbraw/zinc/33/80/05/411338005.db2.gz OQQDVDAPSCZUNO-UHFFFAOYSA-N 2 2 231.343 2.589 20 0 BFADLP CCC[N@H+](Cc1ccccc1F)CC(C)(C)[NH3+] ZINC000656791775 411372477 /nfs/dbraw/zinc/37/24/77/411372477.db2.gz JYHFRKPLWMUDGD-UHFFFAOYSA-N 2 2 238.350 2.775 20 0 BFADLP CCC[N@@H+](Cc1ccccc1F)CC(C)(C)[NH3+] ZINC000656791775 411372478 /nfs/dbraw/zinc/37/24/78/411372478.db2.gz JYHFRKPLWMUDGD-UHFFFAOYSA-N 2 2 238.350 2.775 20 0 BFADLP CC1([NH2+]Cc2ccsc2Cl)CC[NH2+]CC1 ZINC000335171498 168064286 /nfs/dbraw/zinc/06/42/86/168064286.db2.gz KWOZDCXNSYAGOD-UHFFFAOYSA-N 2 2 244.791 2.633 20 0 BFADLP CC1=CCC[C@H](C)[C@H]1C[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000276765868 168104491 /nfs/dbraw/zinc/10/44/91/168104491.db2.gz NOXQKBQXRNGHCM-KKUMJFAQSA-N 2 2 247.386 2.854 20 0 BFADLP CC1=CC[N@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338020644 168112465 /nfs/dbraw/zinc/11/24/65/168112465.db2.gz MUAZVSQWMSILNN-HZPDHXFCSA-N 2 2 248.414 2.807 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000338020644 168112468 /nfs/dbraw/zinc/11/24/68/168112468.db2.gz MUAZVSQWMSILNN-HZPDHXFCSA-N 2 2 248.414 2.807 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362919793 168112635 /nfs/dbraw/zinc/11/26/35/168112635.db2.gz YYRJFWIOKRNNFY-UHFFFAOYSA-N 2 2 248.414 2.951 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000362919793 168112636 /nfs/dbraw/zinc/11/26/36/168112636.db2.gz YYRJFWIOKRNNFY-UHFFFAOYSA-N 2 2 248.414 2.951 20 0 BFADLP CC1=CC[N@H+](CC[NH2+]CCC(C)(C)C)CC1 ZINC000336780487 168113005 /nfs/dbraw/zinc/11/30/05/168113005.db2.gz RLOAPVGMRXSOKG-UHFFFAOYSA-N 2 2 224.392 2.664 20 0 BFADLP CC1=CC[N@@H+](CC[NH2+]CCC(C)(C)C)CC1 ZINC000336780487 168113007 /nfs/dbraw/zinc/11/30/07/168113007.db2.gz RLOAPVGMRXSOKG-UHFFFAOYSA-N 2 2 224.392 2.664 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000300079310 168130737 /nfs/dbraw/zinc/13/07/37/168130737.db2.gz SPWLHHVUNSNYOL-QEJZJMRPSA-N 2 2 248.414 2.805 20 0 BFADLP CC1=C[C@H](C)C[C@H](C[NH2+][C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000300079310 168130740 /nfs/dbraw/zinc/13/07/40/168130740.db2.gz SPWLHHVUNSNYOL-QEJZJMRPSA-N 2 2 248.414 2.805 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000122312127 168165687 /nfs/dbraw/zinc/16/56/87/168165687.db2.gz PAYYGRQVDPHMMV-YIOUJQMASA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2CCC(C)CC2)C[N@H+]1C1CC1 ZINC000122312127 168165688 /nfs/dbraw/zinc/16/56/88/168165688.db2.gz PAYYGRQVDPHMMV-YIOUJQMASA-N 2 2 236.403 2.780 20 0 BFADLP CC1CC[NH+](CC[NH2+]C2CCCCC2)CC1 ZINC000040770977 168180908 /nfs/dbraw/zinc/18/09/08/168180908.db2.gz JNDSJJUDYHYDOE-UHFFFAOYSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)[C@H](C)[NH2+]C[C@H](C)[NH+]1CCC(C)CC1 ZINC000119016013 168186748 /nfs/dbraw/zinc/18/67/48/168186748.db2.gz ZBYCTBXOBILBKB-KBPBESRZSA-N 2 2 226.408 2.741 20 0 BFADLP CCC(C)(C)[NH2+]Cc1c[nH+]c2ccc(C)cn12 ZINC000156320775 168299491 /nfs/dbraw/zinc/29/94/91/168299491.db2.gz YOMNIZSXIPGLSM-UHFFFAOYSA-N 2 2 231.343 2.921 20 0 BFADLP CC(C)C[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000653526553 411418507 /nfs/dbraw/zinc/41/85/07/411418507.db2.gz GJCILOHZDDVFBH-CQSZACIVSA-N 2 2 249.402 2.863 20 0 BFADLP CC(C)C[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000653526553 411418509 /nfs/dbraw/zinc/41/85/09/411418509.db2.gz GJCILOHZDDVFBH-CQSZACIVSA-N 2 2 249.402 2.863 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000653541435 411419244 /nfs/dbraw/zinc/41/92/44/411419244.db2.gz PLPARWKGJFUMAL-OAHLLOKOSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1C1CCC1 ZINC000653541435 411419246 /nfs/dbraw/zinc/41/92/46/411419246.db2.gz PLPARWKGJFUMAL-OAHLLOKOSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000653541434 411419349 /nfs/dbraw/zinc/41/93/49/411419349.db2.gz PLPARWKGJFUMAL-HNNXBMFYSA-N 2 2 247.386 2.617 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C1CCC1 ZINC000653541434 411419351 /nfs/dbraw/zinc/41/93/51/411419351.db2.gz PLPARWKGJFUMAL-HNNXBMFYSA-N 2 2 247.386 2.617 20 0 BFADLP C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)[NH+](C)C ZINC000275479035 411440472 /nfs/dbraw/zinc/44/04/72/411440472.db2.gz JVBXZVLOEQADJD-VNQPRFMTSA-N 2 2 246.398 2.862 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)[NH+](C)C ZINC000275479033 411440613 /nfs/dbraw/zinc/44/06/13/411440613.db2.gz JVBXZVLOEQADJD-KBMXLJTQSA-N 2 2 246.398 2.862 20 0 BFADLP CC[NH2+]CC[NH2+]Cc1c2ccccc2oc1CC ZINC000414831438 411449800 /nfs/dbraw/zinc/44/98/00/411449800.db2.gz PJCCLOPMFGRYDG-UHFFFAOYSA-N 2 2 246.354 2.694 20 0 BFADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1 ZINC000657289373 411450162 /nfs/dbraw/zinc/45/01/62/411450162.db2.gz GGXZWROHAMMYBQ-LBPRGKRZSA-N 2 2 241.338 2.680 20 0 BFADLP C[C@H]1CCCC[C@H]1C[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657329098 411467115 /nfs/dbraw/zinc/46/71/15/411467115.db2.gz JXCRXOAUVTUIAS-STQMWFEESA-N 2 2 247.386 2.745 20 0 BFADLP CC[C@H]1CCC[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)C1 ZINC000657372463 411485156 /nfs/dbraw/zinc/48/51/56/411485156.db2.gz FGQFELHDLNETHF-STQMWFEESA-N 2 2 247.386 2.888 20 0 BFADLP CC[C@H](C)C[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657376762 411486254 /nfs/dbraw/zinc/48/62/54/411486254.db2.gz JMGBXTBGCNDFJX-NWDGAFQWSA-N 2 2 235.375 2.744 20 0 BFADLP C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1)[C@H](C)[NH3+] ZINC000415009724 411486539 /nfs/dbraw/zinc/48/65/39/411486539.db2.gz OGOFFCZXNAZABI-JGVFFNPUSA-N 2 2 247.169 2.819 20 0 BFADLP CC1(C)CCCC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657394663 411493800 /nfs/dbraw/zinc/49/38/00/411493800.db2.gz MCKKUNFSUFCEQV-ZDUSSCGKSA-N 2 2 247.386 2.888 20 0 BFADLP Cc1[nH]c(CNc2cc(C)cc(C)[nH+]2)[nH+]c1C ZINC000657412967 411497257 /nfs/dbraw/zinc/49/72/57/411497257.db2.gz DZCVBEYLHMUNDJ-UHFFFAOYSA-N 2 2 230.315 2.650 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000657441732 411511266 /nfs/dbraw/zinc/51/12/66/411511266.db2.gz HAMYSMLFCCLMSP-QWHCGFSZSA-N 2 2 247.386 2.888 20 0 BFADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccsc1 ZINC000657462042 411517291 /nfs/dbraw/zinc/51/72/91/411517291.db2.gz OEVWBGKQSRIJNM-SNVBAGLBSA-N 2 2 247.367 2.742 20 0 BFADLP Cc1[nH+]cc(C[NH2+]C(C)(C)C(C)(C)C)n1C ZINC000657473421 411523195 /nfs/dbraw/zinc/52/31/95/411523195.db2.gz JHZUNXRTKBQMMV-UHFFFAOYSA-N 2 2 223.364 2.643 20 0 BFADLP Cc1ccc2[nH+]cc(C[NH2+]C3(C)CC=CC3)n2c1 ZINC000655815228 411523861 /nfs/dbraw/zinc/52/38/61/411523861.db2.gz ZDWYFJIODOVHJZ-UHFFFAOYSA-N 2 2 241.338 2.841 20 0 BFADLP C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657486788 411530923 /nfs/dbraw/zinc/53/09/23/411530923.db2.gz BCDRMALLSBCQTQ-SWLSCSKDSA-N 2 2 247.386 2.888 20 0 BFADLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000328328390 170014428 /nfs/dbraw/zinc/01/44/28/170014428.db2.gz GSZKEDKDZBSYHJ-CVEARBPZSA-N 2 2 244.382 2.822 20 0 BFADLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000328328390 170014429 /nfs/dbraw/zinc/01/44/29/170014429.db2.gz GSZKEDKDZBSYHJ-CVEARBPZSA-N 2 2 244.382 2.822 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000657522831 411541764 /nfs/dbraw/zinc/54/17/64/411541764.db2.gz FFINQIPHHXVGKP-UONOGXRCSA-N 2 2 236.403 2.805 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]C[C@H]1CC=CCC1 ZINC000657522831 411541766 /nfs/dbraw/zinc/54/17/66/411541766.db2.gz FFINQIPHHXVGKP-UONOGXRCSA-N 2 2 236.403 2.805 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccccc1 ZINC000657524712 411541941 /nfs/dbraw/zinc/54/19/41/411541941.db2.gz QGAXBVLAGKINBG-AWEZNQCLSA-N 2 2 232.371 2.649 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccccc1 ZINC000657524712 411541942 /nfs/dbraw/zinc/54/19/42/411541942.db2.gz QGAXBVLAGKINBG-AWEZNQCLSA-N 2 2 232.371 2.649 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000657525223 411542981 /nfs/dbraw/zinc/54/29/81/411542981.db2.gz POPCSDXVPZJDNX-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000657525223 411542983 /nfs/dbraw/zinc/54/29/83/411542983.db2.gz POPCSDXVPZJDNX-UPJWGTAASA-N 2 2 224.392 2.637 20 0 BFADLP C1CC2(C1)CC[C@H]2[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655848433 411535770 /nfs/dbraw/zinc/53/57/70/411535770.db2.gz FDJQXOLYWJONIS-RRFJBIMHSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC2(C1)CC[C@H]2[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655848433 411535771 /nfs/dbraw/zinc/53/57/71/411535771.db2.gz FDJQXOLYWJONIS-RRFJBIMHSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655849238 411537309 /nfs/dbraw/zinc/53/73/09/411537309.db2.gz REHVFGYZFDCVDW-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@H](CC1CC1)[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655849238 411537313 /nfs/dbraw/zinc/53/73/13/411537313.db2.gz REHVFGYZFDCVDW-VHDGCEQUSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657562710 411552593 /nfs/dbraw/zinc/55/25/93/411552593.db2.gz OCNGSCUCPAXOEN-STQMWFEESA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657562710 411552595 /nfs/dbraw/zinc/55/25/95/411552595.db2.gz OCNGSCUCPAXOEN-STQMWFEESA-N 2 2 226.408 2.883 20 0 BFADLP CC[C@@H](C)CC[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657587917 411557723 /nfs/dbraw/zinc/55/77/23/411557723.db2.gz ZYXMHJPEKGSBNY-GFCCVEGCSA-N 2 2 231.343 2.860 20 0 BFADLP C[C@H](C[NH+]1CCC(C)CC1)[NH2+]CC1(C)CCC1 ZINC000657695277 411581137 /nfs/dbraw/zinc/58/11/37/411581137.db2.gz XEWFIBOFGXOVSM-CQSZACIVSA-N 2 2 238.419 2.887 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC000657741578 411588578 /nfs/dbraw/zinc/58/85/78/411588578.db2.gz HJPWROQDRKDSOP-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(CC)c2)C1 ZINC000657741578 411588579 /nfs/dbraw/zinc/58/85/79/411588579.db2.gz HJPWROQDRKDSOP-INIZCTEOSA-N 2 2 246.398 2.823 20 0 BFADLP CC1(C)C[C@]1(C)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000657761243 411590996 /nfs/dbraw/zinc/59/09/96/411590996.db2.gz HCLVRZXXPLQSLT-AWEZNQCLSA-N 2 2 229.327 2.613 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657818317 411605919 /nfs/dbraw/zinc/60/59/19/411605919.db2.gz SGTOSAQZQAJDHU-JTQLQIEISA-N 2 2 236.350 2.598 20 0 BFADLP CCc1oc2ccccc2c1C[NH2+][C@@H](C)C[NH2+]C ZINC000663509439 411693541 /nfs/dbraw/zinc/69/35/41/411693541.db2.gz XXKDEAFFLUTFTR-NSHDSACASA-N 2 2 246.354 2.693 20 0 BFADLP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)o1 ZINC000132088201 411769063 /nfs/dbraw/zinc/76/90/63/411769063.db2.gz XNBJULPCMXRQIS-GJZGRUSLSA-N 2 2 242.322 2.822 20 0 BFADLP CC(C)[N@@H+]1CCCC[C@H]1COc1cc[nH+]cc1 ZINC000664016803 411814819 /nfs/dbraw/zinc/81/48/19/411814819.db2.gz RNNCNFZXQUXIGN-ZDUSSCGKSA-N 2 2 234.343 2.723 20 0 BFADLP CC(C)[N@H+]1CCCC[C@H]1COc1cc[nH+]cc1 ZINC000664016803 411814823 /nfs/dbraw/zinc/81/48/23/411814823.db2.gz RNNCNFZXQUXIGN-ZDUSSCGKSA-N 2 2 234.343 2.723 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000661859567 411904996 /nfs/dbraw/zinc/90/49/96/411904996.db2.gz ALACNCCLQJBWDZ-ZIAGYGMSSA-N 2 2 249.402 2.863 20 0 BFADLP CC[C@@H]1CC[C@@H](C)[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000661859567 411905001 /nfs/dbraw/zinc/90/50/01/411905001.db2.gz ALACNCCLQJBWDZ-ZIAGYGMSSA-N 2 2 249.402 2.863 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000664142339 411870209 /nfs/dbraw/zinc/87/02/09/411870209.db2.gz IRSUUKFPITWKFL-LBPRGKRZSA-N 2 2 233.359 2.675 20 0 BFADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000664142339 411870214 /nfs/dbraw/zinc/87/02/14/411870214.db2.gz IRSUUKFPITWKFL-LBPRGKRZSA-N 2 2 233.359 2.675 20 0 BFADLP CC[C@@H]([NH2+]C[C@H](C)[NH+](C)C)c1cccc(C)c1 ZINC000336683811 170899765 /nfs/dbraw/zinc/89/97/65/170899765.db2.gz CLIKUDXAYQBURJ-DZGCQCFKSA-N 2 2 234.387 2.986 20 0 BFADLP c1cn(CCC[N@@H+]2CCC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000662041569 411958979 /nfs/dbraw/zinc/95/89/79/411958979.db2.gz CEXQXSQLYQCMHC-OAHLLOKOSA-N 2 2 247.386 2.785 20 0 BFADLP c1cn(CCC[N@H+]2CCC[C@@H](C3CCC3)C2)c[nH+]1 ZINC000662041569 411958980 /nfs/dbraw/zinc/95/89/80/411958980.db2.gz CEXQXSQLYQCMHC-OAHLLOKOSA-N 2 2 247.386 2.785 20 0 BFADLP CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000336747748 171045320 /nfs/dbraw/zinc/04/53/20/171045320.db2.gz XOTYYNMYDDODPZ-MCIONIFRSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC[N@H+](C)CC ZINC000310000556 171116123 /nfs/dbraw/zinc/11/61/23/171116123.db2.gz DSCKSYGMLCEMDN-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]CC[N@@H+](C)CC ZINC000310000556 171116125 /nfs/dbraw/zinc/11/61/25/171116125.db2.gz DSCKSYGMLCEMDN-MJBXVCDLSA-N 2 2 226.408 2.743 20 0 BFADLP CC(C)=CCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000662273922 412066106 /nfs/dbraw/zinc/06/61/06/412066106.db2.gz BIHQFOLCERYWBO-GJZGRUSLSA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)=CCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000662273922 412066111 /nfs/dbraw/zinc/06/61/11/412066111.db2.gz BIHQFOLCERYWBO-GJZGRUSLSA-N 2 2 236.403 2.949 20 0 BFADLP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]CC[NH+]1CCCC1 ZINC000354209714 171125828 /nfs/dbraw/zinc/12/58/28/171125828.db2.gz UOQYYBFURUZEHE-RBSFLKMASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H](C)C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000364017252 171279741 /nfs/dbraw/zinc/27/97/41/171279741.db2.gz WBCPFLFDTUXDQO-NSHDSACASA-N 2 2 221.348 2.635 20 0 BFADLP CC[C@H](C)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000336665410 171281096 /nfs/dbraw/zinc/28/10/96/171281096.db2.gz FRGKMZSUKLHGLO-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@H](C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000336665410 171281098 /nfs/dbraw/zinc/28/10/98/171281098.db2.gz FRGKMZSUKLHGLO-UONOGXRCSA-N 2 2 224.392 2.593 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000040771661 171364670 /nfs/dbraw/zinc/36/46/70/171364670.db2.gz RTSPSISWWCUFSR-UONOGXRCSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367438731 171365453 /nfs/dbraw/zinc/36/54/53/171365453.db2.gz OWLWRQBRCCPILV-NWDGAFQWSA-N 2 2 235.375 2.744 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000130559674 171388832 /nfs/dbraw/zinc/38/88/32/171388832.db2.gz UVPIBLNDMKHORO-STQMWFEESA-N 2 2 245.370 2.901 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[NH2+]C2)c2sccc21 ZINC000665241353 412184267 /nfs/dbraw/zinc/18/42/67/412184267.db2.gz JOMLRIJCXSOZPY-NHCYSSNCSA-N 2 2 236.384 2.638 20 0 BFADLP CC[C@H]([NH2+]CC[NH+]1CCCC1)c1cccs1 ZINC000020127067 171521663 /nfs/dbraw/zinc/52/16/63/171521663.db2.gz CTMSUZVRAZTPBV-LBPRGKRZSA-N 2 2 238.400 2.885 20 0 BFADLP CC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccsc1 ZINC000665279581 412223050 /nfs/dbraw/zinc/22/30/50/412223050.db2.gz GMANKEMUGJQODE-YXMLORGKSA-N 2 2 236.384 2.541 20 0 BFADLP CCCc1ccc([C@@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665294300 412238501 /nfs/dbraw/zinc/23/85/01/412238501.db2.gz MCWKMVNDYNTQNB-CHWSQXEVSA-N 2 2 234.387 2.898 20 0 BFADLP CC[C@H]([NH2+][C@H](C)C[NH2+]C)c1ccc(Cl)cc1 ZINC000665294209 412239299 /nfs/dbraw/zinc/23/92/99/412239299.db2.gz KHPCANBABZLKBJ-MFKMUULPSA-N 2 2 240.778 2.989 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@H](C)C[NH2+]C)cc1 ZINC000665294684 412241179 /nfs/dbraw/zinc/24/11/79/412241179.db2.gz UIBIJMMPOVKBEF-NEPJUHHUSA-N 2 2 220.360 2.508 20 0 BFADLP C[NH2+]C[C@H](C)[NH2+][C@@H](CCC(C)C)c1ccoc1 ZINC000665298076 412246561 /nfs/dbraw/zinc/24/65/61/412246561.db2.gz RHZDHCQUMUFTST-JSGCOSHPSA-N 2 2 238.375 2.954 20 0 BFADLP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000556887048 322930217 /nfs/dbraw/zinc/93/02/17/322930217.db2.gz PMEHPQKPEGMACM-KGLIPLIRSA-N 2 2 247.386 2.744 20 0 BFADLP C[NH+](C)C(C)(C)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000336782268 172398273 /nfs/dbraw/zinc/39/82/73/172398273.db2.gz XCRTULFRHNRFAE-VXGBXAGGSA-N 2 2 226.408 2.741 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000275598204 172467629 /nfs/dbraw/zinc/46/76/29/172467629.db2.gz PLLSKTBWJAOUKP-JKSUJKDBSA-N 2 2 246.398 2.549 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000127294304 173030882 /nfs/dbraw/zinc/03/08/82/173030882.db2.gz NJMYWGSAFJBLFS-UYSNPLJNSA-N 2 2 244.382 2.616 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccccc2)C1 ZINC000127294304 173030884 /nfs/dbraw/zinc/03/08/84/173030884.db2.gz NJMYWGSAFJBLFS-UYSNPLJNSA-N 2 2 244.382 2.616 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000163686384 173032448 /nfs/dbraw/zinc/03/24/48/173032448.db2.gz DYMDGWVPEJUPLO-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000163686384 173032451 /nfs/dbraw/zinc/03/24/51/173032451.db2.gz DYMDGWVPEJUPLO-CYBMUJFWSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@@H+]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC000107800107 173033796 /nfs/dbraw/zinc/03/37/96/173033796.db2.gz INKCKAMNBUIXHF-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@H+]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC000107800107 173033797 /nfs/dbraw/zinc/03/37/97/173033797.db2.gz INKCKAMNBUIXHF-CQSZACIVSA-N 2 2 224.392 2.641 20 0 BFADLP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000040671660 173046545 /nfs/dbraw/zinc/04/65/45/173046545.db2.gz HXRUHCDVROVZBL-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2)C1 ZINC000040671660 173046547 /nfs/dbraw/zinc/04/65/47/173046547.db2.gz HXRUHCDVROVZBL-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000163686514 173057351 /nfs/dbraw/zinc/05/73/51/173057351.db2.gz DYMDGWVPEJUPLO-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@H+]1CCC[C@H]1C[NH2+]Cc1cccc(Cl)c1 ZINC000163686514 173057352 /nfs/dbraw/zinc/05/73/52/173057352.db2.gz DYMDGWVPEJUPLO-ZDUSSCGKSA-N 2 2 238.762 2.524 20 0 BFADLP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000042543893 173124536 /nfs/dbraw/zinc/12/45/36/173124536.db2.gz LRJLURRNPVRATQ-JXQTWKCFSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@H+]1CC[C@@H]([NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000042543893 173124539 /nfs/dbraw/zinc/12/45/39/173124539.db2.gz LRJLURRNPVRATQ-JXQTWKCFSA-N 2 2 238.419 2.885 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000042543726 173152641 /nfs/dbraw/zinc/15/26/41/173152641.db2.gz NUZBXVAHJAHGQI-HNNXBMFYSA-N 2 2 246.398 2.778 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC000042543726 173152643 /nfs/dbraw/zinc/15/26/43/173152643.db2.gz NUZBXVAHJAHGQI-HNNXBMFYSA-N 2 2 246.398 2.778 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@@H+]1Cc1cc(C)sc1C ZINC000133286059 173380224 /nfs/dbraw/zinc/38/02/24/173380224.db2.gz HGHVMMJNHCYOCY-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP C[NH2+]C[C@H]1CCC[N@H+]1Cc1cc(C)sc1C ZINC000133286059 173380225 /nfs/dbraw/zinc/38/02/25/173380225.db2.gz HGHVMMJNHCYOCY-CYBMUJFWSA-N 2 2 238.400 2.549 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H](C)C[NH+](C)C ZINC000336770139 175700168 /nfs/dbraw/zinc/70/01/68/175700168.db2.gz WGXLVNXGCZYYQK-NEPJUHHUSA-N 2 2 214.397 2.741 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1 ZINC000235189080 175888232 /nfs/dbraw/zinc/88/82/32/175888232.db2.gz QXSPKFAVWOCXDU-MFKMUULPSA-N 2 2 238.762 2.743 20 0 BFADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC[NH3+] ZINC000054416998 176014580 /nfs/dbraw/zinc/01/45/80/176014580.db2.gz WFQRPEUVLQBOIW-QMMMGPOBSA-N 2 2 247.169 2.945 20 0 BFADLP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC[NH3+] ZINC000054416998 176014582 /nfs/dbraw/zinc/01/45/82/176014582.db2.gz WFQRPEUVLQBOIW-QMMMGPOBSA-N 2 2 247.169 2.945 20 0 BFADLP C[C@@H](c1ccccc1F)[N@H+](C)CC(C)(C)[NH3+] ZINC000062019033 176025469 /nfs/dbraw/zinc/02/54/69/176025469.db2.gz UXFJAUQICIAWGQ-JTQLQIEISA-N 2 2 224.323 2.556 20 0 BFADLP C[C@@H](c1ccccc1F)[N@@H+](C)CC(C)(C)[NH3+] ZINC000062019033 176025471 /nfs/dbraw/zinc/02/54/71/176025471.db2.gz UXFJAUQICIAWGQ-JTQLQIEISA-N 2 2 224.323 2.556 20 0 BFADLP C[C@@H](c1ccco1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000183168477 176031656 /nfs/dbraw/zinc/03/16/56/176031656.db2.gz KOKZUQPBCPCCEP-LBPRGKRZSA-N 2 2 233.315 2.559 20 0 BFADLP C[C@@H](c1ccco1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000183168477 176031657 /nfs/dbraw/zinc/03/16/57/176031657.db2.gz KOKZUQPBCPCCEP-LBPRGKRZSA-N 2 2 233.315 2.559 20 0 BFADLP C[C@@H]1CCCC[C@@H]1C[NH2+]C1(C[NH+](C)C)CCC1 ZINC000341487739 176077002 /nfs/dbraw/zinc/07/70/02/176077002.db2.gz PPZHSZOXPCZEIN-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@@H]1CCC[C@@H](C[N@@H+]2CCn3c[nH+]cc3C2)C1 ZINC000336495371 176117008 /nfs/dbraw/zinc/11/70/08/176117008.db2.gz WCYGDSWUZKCPJA-CHWSQXEVSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@@H]1CCC[C@@H](C[N@H+]2CCn3c[nH+]cc3C2)C1 ZINC000336495371 176117009 /nfs/dbraw/zinc/11/70/09/176117009.db2.gz WCYGDSWUZKCPJA-CHWSQXEVSA-N 2 2 233.359 2.525 20 0 BFADLP C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc3[nH+]ccn32)C1 ZINC000355595115 176206387 /nfs/dbraw/zinc/20/63/87/176206387.db2.gz FYYWIDXQLWAEGQ-CHWSQXEVSA-N 2 2 243.354 2.860 20 0 BFADLP C[C@@H]1CC[C@@H]([NH2+]CC[NH+](C)C)c2ccccc21 ZINC000136950889 176212525 /nfs/dbraw/zinc/21/25/25/176212525.db2.gz DCMCIYGFOCHFLQ-IUODEOHRSA-N 2 2 232.371 2.776 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)C[C@H]1C ZINC000353250598 176234210 /nfs/dbraw/zinc/23/42/10/176234210.db2.gz PBYGXWHWIIIXDQ-FVCCEPFGSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)C[C@H]1C ZINC000353250598 176234211 /nfs/dbraw/zinc/23/42/11/176234211.db2.gz PBYGXWHWIIIXDQ-FVCCEPFGSA-N 2 2 247.386 2.681 20 0 BFADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1 ZINC000274970930 176269197 /nfs/dbraw/zinc/26/91/97/176269197.db2.gz CCTLMSQSXNHCHW-YPMHNXCESA-N 2 2 238.400 2.520 20 0 BFADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccsc1 ZINC000274970930 176269198 /nfs/dbraw/zinc/26/91/98/176269198.db2.gz CCTLMSQSXNHCHW-YPMHNXCESA-N 2 2 238.400 2.520 20 0 BFADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccsc1 ZINC000274970930 176269199 /nfs/dbraw/zinc/26/91/99/176269199.db2.gz CCTLMSQSXNHCHW-YPMHNXCESA-N 2 2 238.400 2.520 20 0 BFADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccsc1 ZINC000274970930 176269200 /nfs/dbraw/zinc/26/92/00/176269200.db2.gz CCTLMSQSXNHCHW-YPMHNXCESA-N 2 2 238.400 2.520 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357799322 176274742 /nfs/dbraw/zinc/27/47/42/176274742.db2.gz SZZGNERGTKLPNM-WBMJQRKESA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000357799322 176274744 /nfs/dbraw/zinc/27/47/44/176274744.db2.gz SZZGNERGTKLPNM-WBMJQRKESA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000358388225 176275239 /nfs/dbraw/zinc/27/52/39/176275239.db2.gz CDMMSIMDEAGHFC-WQVCFCJDSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000358388225 176275240 /nfs/dbraw/zinc/27/52/40/176275240.db2.gz CDMMSIMDEAGHFC-WQVCFCJDSA-N 2 2 244.382 2.604 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000353276634 176281208 /nfs/dbraw/zinc/28/12/08/176281208.db2.gz WNRQDQPPXHDQFZ-BPLDGKMQSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000353276634 176281210 /nfs/dbraw/zinc/28/12/10/176281210.db2.gz WNRQDQPPXHDQFZ-BPLDGKMQSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCC1 ZINC000307659462 176306121 /nfs/dbraw/zinc/30/61/21/176306121.db2.gz SUMUUANMLNMPNM-CZUORRHYSA-N 2 2 244.382 2.649 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]C1CCC1 ZINC000307659462 176306123 /nfs/dbraw/zinc/30/61/23/176306123.db2.gz SUMUUANMLNMPNM-CZUORRHYSA-N 2 2 244.382 2.649 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+]CC[NH+]2CCCC2)CC(C)(C)C1 ZINC000021061643 176375355 /nfs/dbraw/zinc/37/53/55/176375355.db2.gz HPHFMNDXSALXTJ-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP C[C@H](c1ccccc1)[N@H+](C)CCc1c[nH+]cn1C ZINC000290109300 177038432 /nfs/dbraw/zinc/03/84/32/177038432.db2.gz SQWMYMLSXAHPAO-CYBMUJFWSA-N 2 2 243.354 2.656 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+](C)CCc1c[nH+]cn1C ZINC000290109300 177038434 /nfs/dbraw/zinc/03/84/34/177038434.db2.gz SQWMYMLSXAHPAO-CYBMUJFWSA-N 2 2 243.354 2.656 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000095936746 177040500 /nfs/dbraw/zinc/04/05/00/177040500.db2.gz UNNZMQCLCNEIDY-UKRRQHHQSA-N 2 2 230.355 2.576 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000095936746 177040503 /nfs/dbraw/zinc/04/05/03/177040503.db2.gz UNNZMQCLCNEIDY-UKRRQHHQSA-N 2 2 230.355 2.576 20 0 BFADLP C[C@H](c1ccccn1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000162419754 177042731 /nfs/dbraw/zinc/04/27/31/177042731.db2.gz JUARZGXUIOUYCW-CQSZACIVSA-N 2 2 247.386 2.560 20 0 BFADLP C[C@H](c1ccccn1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000162419754 177042733 /nfs/dbraw/zinc/04/27/33/177042733.db2.gz JUARZGXUIOUYCW-CQSZACIVSA-N 2 2 247.386 2.560 20 0 BFADLP C[C@H]1CCC[N@H+](CC[NH2+]CC2CCCCC2)C1 ZINC000053343755 177097782 /nfs/dbraw/zinc/09/77/82/177097782.db2.gz WTKORAQTKJEQPB-AWEZNQCLSA-N 2 2 238.419 2.888 20 0 BFADLP C[C@H]1CCC[N@@H+](CC[NH2+]CC2CCCCC2)C1 ZINC000053343755 177097784 /nfs/dbraw/zinc/09/77/84/177097784.db2.gz WTKORAQTKJEQPB-AWEZNQCLSA-N 2 2 238.419 2.888 20 0 BFADLP C[C@H]1CC[N@H+](CCCn2cc[nH+]c2)CC1(C)C ZINC000354031134 177161126 /nfs/dbraw/zinc/16/11/26/177161126.db2.gz DHRLKOALADZXIL-ZDUSSCGKSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@H]1CC[N@@H+](CCCn2cc[nH+]c2)CC1(C)C ZINC000354031134 177161127 /nfs/dbraw/zinc/16/11/27/177161127.db2.gz DHRLKOALADZXIL-ZDUSSCGKSA-N 2 2 235.375 2.641 20 0 BFADLP C[C@H]1CC[N@H+](Cc2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000271747843 177165472 /nfs/dbraw/zinc/16/54/72/177165472.db2.gz UFZYHJWQWSMCAS-STQMWFEESA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H]1CC[N@@H+](Cc2cccc3[nH+]ccn32)[C@@H](C)C1 ZINC000271747843 177165474 /nfs/dbraw/zinc/16/54/74/177165474.db2.gz UFZYHJWQWSMCAS-STQMWFEESA-N 2 2 243.354 2.955 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000336738147 177236305 /nfs/dbraw/zinc/23/63/05/177236305.db2.gz KBPGYUYMIVHXDK-XQQFMLRXSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000336738147 177236306 /nfs/dbraw/zinc/23/63/06/177236306.db2.gz KBPGYUYMIVHXDK-XQQFMLRXSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[N@H+](C)C[C@@H]1C ZINC000336738148 177239596 /nfs/dbraw/zinc/23/95/96/177239596.db2.gz KBPGYUYMIVHXDK-YNEHKIRRSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H](CCC(C)(C)C)[NH2+][C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000336738148 177239598 /nfs/dbraw/zinc/23/95/98/177239598.db2.gz KBPGYUYMIVHXDK-YNEHKIRRSA-N 2 2 226.408 2.741 20 0 BFADLP C[C@H]1C[N@H+](Cc2ccc(Cl)s2)CC[C@@H]1[NH3+] ZINC000070600272 177261855 /nfs/dbraw/zinc/26/18/55/177261855.db2.gz WIQJYEINZPZGIR-WPRPVWTQSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)CC[C@@H]1[NH3+] ZINC000070600272 177261856 /nfs/dbraw/zinc/26/18/56/177261856.db2.gz WIQJYEINZPZGIR-WPRPVWTQSA-N 2 2 244.791 2.571 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CCC2)C[N@@H+]1Cc1ccccc1 ZINC000119409646 177330401 /nfs/dbraw/zinc/33/04/01/177330401.db2.gz UIBIAMGXCJKDQO-XJKSGUPXSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2CCC2)C[N@H+]1Cc1ccccc1 ZINC000119409646 177330403 /nfs/dbraw/zinc/33/04/03/177330403.db2.gz UIBIAMGXCJKDQO-XJKSGUPXSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000300306542 177332075 /nfs/dbraw/zinc/33/20/75/177332075.db2.gz HHRPAQXNCPWKQC-XJFOESAGSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000300306542 177332076 /nfs/dbraw/zinc/33/20/76/177332076.db2.gz HHRPAQXNCPWKQC-XJFOESAGSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H](C[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1)Cn1cc[nH+]c1 ZINC000129231184 177332437 /nfs/dbraw/zinc/33/24/37/177332437.db2.gz IWTMIVVJWFOZCL-KBXIAJHMSA-N 2 2 249.402 2.934 20 0 BFADLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC000674878246 487640295 /nfs/dbraw/zinc/64/02/95/487640295.db2.gz FFJVIIADPHHHIC-GDBMZVCRSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC000674878246 487640299 /nfs/dbraw/zinc/64/02/99/487640299.db2.gz FFJVIIADPHHHIC-GDBMZVCRSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC000674878247 487640970 /nfs/dbraw/zinc/64/09/70/487640970.db2.gz FFJVIIADPHHHIC-GOEBONIOSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]CCCCc1ccccc1 ZINC000674878247 487640973 /nfs/dbraw/zinc/64/09/73/487640973.db2.gz FFJVIIADPHHHIC-GOEBONIOSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@H]1C[C@@H]1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000488333815 225378095 /nfs/dbraw/zinc/37/80/95/225378095.db2.gz VOZJQWKUZAGQPF-GXTWGEPZSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000494396185 226264875 /nfs/dbraw/zinc/26/48/75/226264875.db2.gz ZEPAVJSIGCJQLF-HZSPNIEDSA-N 2 2 247.386 2.614 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000494892546 226271017 /nfs/dbraw/zinc/27/10/17/226271017.db2.gz TYFFMKHKVYINBD-QKGCVVFFSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@@H]1C[C@H](C)[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000494892546 226271018 /nfs/dbraw/zinc/27/10/18/226271018.db2.gz TYFFMKHKVYINBD-QKGCVVFFSA-N 2 2 238.419 2.741 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC000328339122 487664384 /nfs/dbraw/zinc/66/43/84/487664384.db2.gz KGUNSJHJQAYWAN-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)cc2)C1 ZINC000328339122 487664390 /nfs/dbraw/zinc/66/43/90/487664390.db2.gz KGUNSJHJQAYWAN-MRXNPFEDSA-N 2 2 246.398 2.823 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000328448205 487688131 /nfs/dbraw/zinc/68/81/31/487688131.db2.gz CKLMCGYIHFUENK-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000328448205 487688135 /nfs/dbraw/zinc/68/81/35/487688135.db2.gz CKLMCGYIHFUENK-HZSPNIEDSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000328525720 487704311 /nfs/dbraw/zinc/70/43/11/487704311.db2.gz UCGOQXLANISZCB-UKRRQHHQSA-N 2 2 232.371 2.822 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000328525720 487704317 /nfs/dbraw/zinc/70/43/17/487704317.db2.gz UCGOQXLANISZCB-UKRRQHHQSA-N 2 2 232.371 2.822 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668432506 487745366 /nfs/dbraw/zinc/74/53/66/487745366.db2.gz UOICGEJCDRDKPN-ZOBORPQBSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668432506 487745369 /nfs/dbraw/zinc/74/53/69/487745369.db2.gz UOICGEJCDRDKPN-ZOBORPQBSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@H]([NH2+]CC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000675748689 487773700 /nfs/dbraw/zinc/77/37/00/487773700.db2.gz GIYBRYCGPRTSBH-YDHLFZDLSA-N 2 2 238.419 2.743 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000675801490 487780438 /nfs/dbraw/zinc/78/04/38/487780438.db2.gz JMVLKCSOABKKEJ-SNPRPXQTSA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000675801490 487780444 /nfs/dbraw/zinc/78/04/44/487780444.db2.gz JMVLKCSOABKKEJ-SNPRPXQTSA-N 2 2 238.419 2.885 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000668458627 487782504 /nfs/dbraw/zinc/78/25/04/487782504.db2.gz GVYNBWWUONSFAQ-UONOGXRCSA-N 2 2 236.403 2.948 20 0 BFADLP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000668458627 487782508 /nfs/dbraw/zinc/78/25/08/487782508.db2.gz GVYNBWWUONSFAQ-UONOGXRCSA-N 2 2 236.403 2.948 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000675884525 487786205 /nfs/dbraw/zinc/78/62/05/487786205.db2.gz VXMRVUFEBDZNGX-BZPMIXESSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H](C[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C)C(C)(C)C ZINC000675884525 487786208 /nfs/dbraw/zinc/78/62/08/487786208.db2.gz VXMRVUFEBDZNGX-BZPMIXESSA-N 2 2 238.419 2.741 20 0 BFADLP CC[C@H]([NH2+]CCCCn1cc[nH+]c1)C1CCC1 ZINC000322864842 487826295 /nfs/dbraw/zinc/82/62/95/487826295.db2.gz UVJUOKBNMHMGRN-AWEZNQCLSA-N 2 2 235.375 2.832 20 0 BFADLP FCCCCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671240784 487872491 /nfs/dbraw/zinc/87/24/91/487872491.db2.gz UOTVTNMSMBUFAI-ZDUSSCGKSA-N 2 2 239.338 2.660 20 0 BFADLP FCCCCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000671240784 487872495 /nfs/dbraw/zinc/87/24/95/487872495.db2.gz UOTVTNMSMBUFAI-ZDUSSCGKSA-N 2 2 239.338 2.660 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)C1C(C)(C)C1(C)C ZINC000676560187 487873065 /nfs/dbraw/zinc/87/30/65/487873065.db2.gz JDTNEWJKRAWPJF-RYUDHWBXSA-N 2 2 238.419 2.741 20 0 BFADLP C[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)C1C(C)(C)C1(C)C ZINC000676560187 487873070 /nfs/dbraw/zinc/87/30/70/487873070.db2.gz JDTNEWJKRAWPJF-RYUDHWBXSA-N 2 2 238.419 2.741 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000669847154 487881726 /nfs/dbraw/zinc/88/17/26/487881726.db2.gz KIKJCGFADQFOEV-PMPSAXMXSA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000669847154 487881728 /nfs/dbraw/zinc/88/17/28/487881728.db2.gz KIKJCGFADQFOEV-PMPSAXMXSA-N 2 2 248.414 2.639 20 0 BFADLP C[N@H+](CCCC1CCCCC1)CC1C[NH+](C)C1 ZINC000668539679 487905332 /nfs/dbraw/zinc/90/53/32/487905332.db2.gz IBMADCGOVZUWEY-UHFFFAOYSA-N 2 2 238.419 2.840 20 0 BFADLP C[N@@H+](CCCC1CCCCC1)CC1C[NH+](C)C1 ZINC000668539679 487905338 /nfs/dbraw/zinc/90/53/38/487905338.db2.gz IBMADCGOVZUWEY-UHFFFAOYSA-N 2 2 238.419 2.840 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[N@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539963 487905510 /nfs/dbraw/zinc/90/55/10/487905510.db2.gz RRPHHFXYWKDPAB-ZIAGYGMSSA-N 2 2 238.419 2.696 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[N@@H+](C)CC2C[NH+](C)C2)C1 ZINC000668539963 487905512 /nfs/dbraw/zinc/90/55/12/487905512.db2.gz RRPHHFXYWKDPAB-ZIAGYGMSSA-N 2 2 238.419 2.696 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCCC(C)(C)CC1)[NH+](C)C ZINC000083435613 487912655 /nfs/dbraw/zinc/91/26/55/487912655.db2.gz MGOYPVFFTFPVGL-OLZOCXBDSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCCC[NH2+]1)c1ccccc1F ZINC000235206368 487933773 /nfs/dbraw/zinc/93/37/73/487933773.db2.gz XEJYNXYGKZZNRG-VXGBXAGGSA-N 2 2 236.334 2.618 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]1)c1ccsc1 ZINC000235224212 487936675 /nfs/dbraw/zinc/93/66/75/487936675.db2.gz OJQGQIUROKJYFD-PWSUYJOCSA-N 2 2 224.373 2.541 20 0 BFADLP CC[C@H](Cc1ccc(C)cc1)[NH2+][C@@H](C)C[NH+](C)C ZINC000558253745 322948179 /nfs/dbraw/zinc/94/81/79/322948179.db2.gz DLXSKDCYOWCKSX-GOEBONIOSA-N 2 2 248.414 2.856 20 0 BFADLP C[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccoc1 ZINC000094869210 322977709 /nfs/dbraw/zinc/97/77/09/322977709.db2.gz WILDYVNUQSAVBS-LBPRGKRZSA-N 2 2 233.315 2.607 20 0 BFADLP CC1(C)CCC[C@H](C[NH2+][C@@H](CC[NH3+])C(F)F)C1 ZINC000560973809 322993839 /nfs/dbraw/zinc/99/38/39/322993839.db2.gz QBQRSASSVBSWGK-QWRGUYRKSA-N 2 2 248.361 2.775 20 0 BFADLP CC[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151342546 323015756 /nfs/dbraw/zinc/01/57/56/323015756.db2.gz FIIYYPOGTJRKBD-CYBMUJFWSA-N 2 2 243.354 2.820 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000562563408 323024260 /nfs/dbraw/zinc/02/42/60/323024260.db2.gz DJSSHFXILKGFKG-CYBMUJFWSA-N 2 2 226.408 2.887 20 0 BFADLP C[C@H]1CC[N@H+](CC2(C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000562626669 323025988 /nfs/dbraw/zinc/02/59/88/323025988.db2.gz VERNFVQYGUXBID-QWHCGFSZSA-N 2 2 233.359 2.566 20 0 BFADLP C[C@H]1CC[N@@H+](CC2(C)CC2)C[C@H]1n1cc[nH+]c1 ZINC000562626669 323025989 /nfs/dbraw/zinc/02/59/89/323025989.db2.gz VERNFVQYGUXBID-QWHCGFSZSA-N 2 2 233.359 2.566 20 0 BFADLP Cc1[nH]c(CNc2cc(C3CC3)cc[nH+]2)[nH+]c1C ZINC000570699413 323067964 /nfs/dbraw/zinc/06/79/64/323067964.db2.gz WEDHDWBGFPTMHP-UHFFFAOYSA-N 2 2 242.326 2.911 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000572612333 323070428 /nfs/dbraw/zinc/07/04/28/323070428.db2.gz SPEHZOQUBZNSRQ-HIFRSBDPSA-N 2 2 247.386 2.592 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000572612333 323070429 /nfs/dbraw/zinc/07/04/29/323070429.db2.gz SPEHZOQUBZNSRQ-HIFRSBDPSA-N 2 2 247.386 2.592 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000572612332 323070452 /nfs/dbraw/zinc/07/04/52/323070452.db2.gz SPEHZOQUBZNSRQ-DZGCQCFKSA-N 2 2 247.386 2.592 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000572612332 323070453 /nfs/dbraw/zinc/07/04/53/323070453.db2.gz SPEHZOQUBZNSRQ-DZGCQCFKSA-N 2 2 247.386 2.592 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000572612334 323070484 /nfs/dbraw/zinc/07/04/84/323070484.db2.gz SPEHZOQUBZNSRQ-UKRRQHHQSA-N 2 2 247.386 2.592 20 0 BFADLP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000572612334 323070485 /nfs/dbraw/zinc/07/04/85/323070485.db2.gz SPEHZOQUBZNSRQ-UKRRQHHQSA-N 2 2 247.386 2.592 20 0 BFADLP Cc1ccc(C[NH2+][C@@H]2[C@@H](C)CC[NH2+][C@H]2C)c(C)c1 ZINC000516651878 323081283 /nfs/dbraw/zinc/08/12/83/323081283.db2.gz UJQLUJOVPGKFKC-DUVNUKRYSA-N 2 2 246.398 2.780 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCCC12CCC2 ZINC000394778768 323108792 /nfs/dbraw/zinc/10/87/92/323108792.db2.gz PUGVLBIUXYKOTR-CYBMUJFWSA-N 2 2 224.392 2.641 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000531704784 323111955 /nfs/dbraw/zinc/11/19/55/323111955.db2.gz MLBGVTINZRHTCE-AJNGGQMLSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000531704784 323111956 /nfs/dbraw/zinc/11/19/56/323111956.db2.gz MLBGVTINZRHTCE-AJNGGQMLSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C1CCC([NH2+][C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000531737470 323112229 /nfs/dbraw/zinc/11/22/29/323112229.db2.gz TVTQMGCPKSOLIB-URGYJCLVSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)C1CCC([NH2+][C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000531737470 323112230 /nfs/dbraw/zinc/11/22/30/323112230.db2.gz TVTQMGCPKSOLIB-URGYJCLVSA-N 2 2 238.419 2.741 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000563642662 323133511 /nfs/dbraw/zinc/13/35/11/323133511.db2.gz YASPRGODFADZAE-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[C@@H]1CC[C@H]1[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000563642662 323133512 /nfs/dbraw/zinc/13/35/12/323133512.db2.gz YASPRGODFADZAE-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+]1CC ZINC000248214713 323134375 /nfs/dbraw/zinc/13/43/75/323134375.db2.gz ZJWJYTOUEXMCGS-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+]1CC ZINC000248214713 323134376 /nfs/dbraw/zinc/13/43/76/323134376.db2.gz ZJWJYTOUEXMCGS-BFHYXJOUSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCC2)[N@H+](C)C1CC1 ZINC000394870723 323151813 /nfs/dbraw/zinc/15/18/13/323151813.db2.gz SDJMNKLRQJZEDG-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1CCCC12CCC2)[N@@H+](C)C1CC1 ZINC000394870723 323151814 /nfs/dbraw/zinc/15/18/14/323151814.db2.gz SDJMNKLRQJZEDG-GXTWGEPZSA-N 2 2 236.403 2.782 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@H]1C ZINC000531965856 323159449 /nfs/dbraw/zinc/15/94/49/323159449.db2.gz NMDSPPBWYZAVPW-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@H]1C ZINC000531965856 323159450 /nfs/dbraw/zinc/15/94/50/323159450.db2.gz NMDSPPBWYZAVPW-KBXIAJHMSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@H+](C)C[C@@H]1C ZINC000531965858 323159474 /nfs/dbraw/zinc/15/94/74/323159474.db2.gz NMDSPPBWYZAVPW-XGUBFFRZSA-N 2 2 238.419 2.885 20 0 BFADLP CCCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[N@@H+](C)C[C@@H]1C ZINC000531965858 323159475 /nfs/dbraw/zinc/15/94/75/323159475.db2.gz NMDSPPBWYZAVPW-XGUBFFRZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[N@@H+]1CC[C@H]([NH+](C)C/C=C(/C)Cl)C[C@@H]1C ZINC000528391568 323196672 /nfs/dbraw/zinc/19/66/72/323196672.db2.gz AANFZIHJWZNZCZ-ISGXEFFDSA-N 2 2 244.810 2.934 20 0 BFADLP CC[N@H+]1CC[C@H]([NH+](C)C/C=C(/C)Cl)C[C@@H]1C ZINC000528391568 323196673 /nfs/dbraw/zinc/19/66/73/323196673.db2.gz AANFZIHJWZNZCZ-ISGXEFFDSA-N 2 2 244.810 2.934 20 0 BFADLP CC[NH+]1CC[C@H]([N@H+](C)C/C=C(/C)Cl)C[C@@H]1C ZINC000528391568 323196674 /nfs/dbraw/zinc/19/66/74/323196674.db2.gz AANFZIHJWZNZCZ-ISGXEFFDSA-N 2 2 244.810 2.934 20 0 BFADLP CC[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)[NH+](C)C)C1 ZINC000070562271 323199985 /nfs/dbraw/zinc/19/99/85/323199985.db2.gz BXDMEGDRNWDIOT-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]CCCCn1cc[nH+]c1)C1CCCC1 ZINC000054081409 323202644 /nfs/dbraw/zinc/20/26/44/323202644.db2.gz KRAJLSAIPVFBAL-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP CCCC1CCC([NH2+][C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000532208500 323209822 /nfs/dbraw/zinc/20/98/22/323209822.db2.gz PUIOMBLRZFKRIS-PPWQZUPISA-N 2 2 238.419 2.885 20 0 BFADLP CCCC1CCC([NH2+][C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000532208500 323209823 /nfs/dbraw/zinc/20/98/23/323209823.db2.gz PUIOMBLRZFKRIS-PPWQZUPISA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000532240673 323211484 /nfs/dbraw/zinc/21/14/84/323211484.db2.gz WVOGTPHLVWKCDO-DZGCQCFKSA-N 2 2 246.398 2.987 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000532240673 323211487 /nfs/dbraw/zinc/21/14/87/323211487.db2.gz WVOGTPHLVWKCDO-DZGCQCFKSA-N 2 2 246.398 2.987 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1ccccc1F ZINC000530220519 323218546 /nfs/dbraw/zinc/21/85/46/323218546.db2.gz OIUAKNGNLUYGGO-SMDDNHRTSA-N 2 2 248.345 2.761 20 0 BFADLP C[C@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000396601588 323311086 /nfs/dbraw/zinc/31/10/86/323311086.db2.gz HFMZGQFUVMTLLQ-ZWNOBZJWSA-N 2 2 238.762 2.570 20 0 BFADLP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]Cc1cccc(Cl)c1 ZINC000396601582 323311164 /nfs/dbraw/zinc/31/11/64/323311164.db2.gz HFMZGQFUVMTLLQ-GXFFZTMASA-N 2 2 238.762 2.570 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000122329293 324038310 /nfs/dbraw/zinc/03/83/10/324038310.db2.gz MOYZBNVSYOKFRC-ZOBORPQBSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C)C2)C[N@H+]1C1CC1 ZINC000122329293 324038311 /nfs/dbraw/zinc/03/83/11/324038311.db2.gz MOYZBNVSYOKFRC-ZOBORPQBSA-N 2 2 236.403 2.780 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000529643231 324369760 /nfs/dbraw/zinc/36/97/60/324369760.db2.gz XRPMQCWJZIMSRZ-VNHYZAJKSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1CC[N@H+]1C1CCCCC1 ZINC000529643231 324369763 /nfs/dbraw/zinc/36/97/63/324369763.db2.gz XRPMQCWJZIMSRZ-VNHYZAJKSA-N 2 2 236.403 2.639 20 0 BFADLP C([NH2+]C1CC2(CCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000529669307 324374710 /nfs/dbraw/zinc/37/47/10/324374710.db2.gz LIIHHIDGGYFDAV-HNNXBMFYSA-N 2 2 248.414 2.926 20 0 BFADLP C([NH2+]C1CC2(CCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000529669307 324374714 /nfs/dbraw/zinc/37/47/14/324374714.db2.gz LIIHHIDGGYFDAV-HNNXBMFYSA-N 2 2 248.414 2.926 20 0 BFADLP C[NH+](C)CC[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037184097 324405624 /nfs/dbraw/zinc/40/56/24/324405624.db2.gz ALYFUCDNIPRHOD-HZPDHXFCSA-N 2 2 246.398 2.864 20 0 BFADLP C[C@@H]([NH2+][C@@H]1CC[NH2+]C12CCC2)c1cccc(F)c1 ZINC000530218287 324536283 /nfs/dbraw/zinc/53/62/83/324536283.db2.gz IOTSQDPBDZDBPJ-BXUZGUMPSA-N 2 2 248.345 2.761 20 0 BFADLP CC(C)[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000130206933 325023703 /nfs/dbraw/zinc/02/37/03/325023703.db2.gz QBYWJLZFTVQBGO-ZIAGYGMSSA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1 ZINC000130206501 325024121 /nfs/dbraw/zinc/02/41/21/325024121.db2.gz QBYWJLZFTVQBGO-KGLIPLIRSA-N 2 2 235.375 2.688 20 0 BFADLP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000130225416 325026235 /nfs/dbraw/zinc/02/62/35/325026235.db2.gz NEPZUHLSADKEIM-GJZGRUSLSA-N 2 2 238.419 2.887 20 0 BFADLP CC(C)C1CCC([NH2+][C@@H](C)C[NH+](C)C)CC1 ZINC000130314973 325038459 /nfs/dbraw/zinc/03/84/59/325038459.db2.gz FDTPFUORQPSGRU-HSBZDZAISA-N 2 2 226.408 2.741 20 0 BFADLP Cn1c[nH+]cc1CNc1cccc2cc[nH+]cc21 ZINC000131064426 325112449 /nfs/dbraw/zinc/11/24/49/325112449.db2.gz JFMPOMWUSBPKAL-UHFFFAOYSA-N 2 2 238.294 2.580 20 0 BFADLP CC[C@@H](C)[C@H](C)[N@H+](CCn1cc[nH+]c1)C1CC1 ZINC000131137333 325120746 /nfs/dbraw/zinc/12/07/46/325120746.db2.gz CQEHEGFVPWAODU-OLZOCXBDSA-N 2 2 235.375 2.782 20 0 BFADLP CC[C@@H](C)[C@H](C)[N@@H+](CCn1cc[nH+]c1)C1CC1 ZINC000131137333 325120748 /nfs/dbraw/zinc/12/07/48/325120748.db2.gz CQEHEGFVPWAODU-OLZOCXBDSA-N 2 2 235.375 2.782 20 0 BFADLP C[C@@H]1CC[N@H+](CC[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000544371347 325139804 /nfs/dbraw/zinc/13/98/04/325139804.db2.gz PBTYBFXAZNVBDA-RBSFLKMASA-N 2 2 238.419 2.744 20 0 BFADLP C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H]2CCCC[C@H]2C)C1 ZINC000544371347 325139805 /nfs/dbraw/zinc/13/98/05/325139805.db2.gz PBTYBFXAZNVBDA-RBSFLKMASA-N 2 2 238.419 2.744 20 0 BFADLP CCC1(C[NH2+][C@@H]2C[N@H+](C)C[C@H]2C)CCCCC1 ZINC000545161207 325181469 /nfs/dbraw/zinc/18/14/69/325181469.db2.gz OWWBZJGBAHLIRD-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CCC1(C[NH2+][C@@H]2C[N@@H+](C)C[C@H]2C)CCCCC1 ZINC000545161207 325181474 /nfs/dbraw/zinc/18/14/74/325181474.db2.gz OWWBZJGBAHLIRD-ZIAGYGMSSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@H]1[NH2+]CC[NH+]1CCCCC1 ZINC000132328314 325211276 /nfs/dbraw/zinc/21/12/76/325211276.db2.gz JVBTUZCDDWRBGZ-ZIAGYGMSSA-N 2 2 224.392 2.641 20 0 BFADLP CCC[C@@H](CCc1ccccc1)[NH2+]CC[NH+](C)C ZINC000554091844 325706487 /nfs/dbraw/zinc/70/64/87/325706487.db2.gz KHQQNBBEOQEIEW-INIZCTEOSA-N 2 2 248.414 2.939 20 0 BFADLP C[C@@H](C[NH+]1CCC(C)CC1)[NH2+][C@@H]1CCC[C@@H]1C ZINC000565551008 325927175 /nfs/dbraw/zinc/92/71/75/325927175.db2.gz ULDRXZBEPJEZBD-SOUVJXGZSA-N 2 2 238.419 2.885 20 0 BFADLP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000566088343 325992283 /nfs/dbraw/zinc/99/22/83/325992283.db2.gz UCXFOGWSMPMCAM-SNVBAGLBSA-N 2 2 242.313 2.615 20 0 BFADLP C[C@@H]1CCC(C)(C)[N@@H+]1CCCc1c[nH+]cn1C ZINC000566428974 326045924 /nfs/dbraw/zinc/04/59/24/326045924.db2.gz MULLPEFWIVAUJE-GFCCVEGCSA-N 2 2 235.375 2.616 20 0 BFADLP C[C@@H]1CCC(C)(C)[N@H+]1CCCc1c[nH+]cn1C ZINC000566428974 326045928 /nfs/dbraw/zinc/04/59/28/326045928.db2.gz MULLPEFWIVAUJE-GFCCVEGCSA-N 2 2 235.375 2.616 20 0 BFADLP Cc1[nH+]cc(C[NH2+][C@@H](C)Cc2cccs2)n1C ZINC000566690538 326075149 /nfs/dbraw/zinc/07/51/49/326075149.db2.gz UJMWUHZEWBRTBO-JTQLQIEISA-N 2 2 249.383 2.511 20 0 BFADLP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000568168824 326318794 /nfs/dbraw/zinc/31/87/94/326318794.db2.gz SVXAVNYOIAAACH-AWEZNQCLSA-N 2 2 249.402 2.863 20 0 BFADLP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000568168824 326318796 /nfs/dbraw/zinc/31/87/96/326318796.db2.gz SVXAVNYOIAAACH-AWEZNQCLSA-N 2 2 249.402 2.863 20 0 BFADLP CCc1cccc(C[NH2+][C@@H](C)Cn2cc[nH+]c2)c1 ZINC000569010307 326386687 /nfs/dbraw/zinc/38/66/87/326386687.db2.gz MJCUTDHGKSBCTE-ZDUSSCGKSA-N 2 2 243.354 2.624 20 0 BFADLP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c1 ZINC000235510388 487975649 /nfs/dbraw/zinc/97/56/49/487975649.db2.gz PWEDBSGSURAILG-DZGCQCFKSA-N 2 2 232.371 2.788 20 0 BFADLP CCc1ccc(C[NH2+][C@H]2CCC[NH2+][C@@H]2C)s1 ZINC000396637555 487992241 /nfs/dbraw/zinc/99/22/41/487992241.db2.gz LSEQQRUJMUCOEC-MFKMUULPSA-N 2 2 238.400 2.541 20 0 BFADLP C[C@@H]([NH2+][C@@H](C)C[NH+]1CCC(C)CC1)C1CCC1 ZINC000668616779 488010249 /nfs/dbraw/zinc/01/02/49/488010249.db2.gz QSEQJLYAXAYJOU-UONOGXRCSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000653681846 488025090 /nfs/dbraw/zinc/02/50/90/488025090.db2.gz BMNNABQWKGQPPF-MELADBBJSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000653681846 488025098 /nfs/dbraw/zinc/02/50/98/488025098.db2.gz BMNNABQWKGQPPF-MELADBBJSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000653681846 488025104 /nfs/dbraw/zinc/02/51/04/488025104.db2.gz BMNNABQWKGQPPF-MELADBBJSA-N 2 2 224.392 2.590 20 0 BFADLP CC(C)C[C@H](C)[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000653681846 488025111 /nfs/dbraw/zinc/02/51/11/488025111.db2.gz BMNNABQWKGQPPF-MELADBBJSA-N 2 2 224.392 2.590 20 0 BFADLP C[C@@H]1CCCCC[N@@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667631624 488064228 /nfs/dbraw/zinc/06/42/28/488064228.db2.gz HQMVVBWCAAOBLH-GFCCVEGCSA-N 2 2 233.359 2.594 20 0 BFADLP C[C@@H]1CCCCC[N@H+]1Cc1c[nH+]c2n1CCC2 ZINC000667631624 488064233 /nfs/dbraw/zinc/06/42/33/488064233.db2.gz HQMVVBWCAAOBLH-GFCCVEGCSA-N 2 2 233.359 2.594 20 0 BFADLP CC[C@]1(C)CCC[N@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667645159 488068985 /nfs/dbraw/zinc/06/89/85/488068985.db2.gz GXOSTBMVXUGMHK-CQSZACIVSA-N 2 2 235.375 2.741 20 0 BFADLP CC[C@]1(C)CCC[N@@H+](Cc2c[nH+]c(C)n2C)C1 ZINC000667645159 488068988 /nfs/dbraw/zinc/06/89/88/488068988.db2.gz GXOSTBMVXUGMHK-CQSZACIVSA-N 2 2 235.375 2.741 20 0 BFADLP CCC(C)(C)[NH+]1CCN(c2cccc(C)[nH+]2)CC1 ZINC000656215476 488069235 /nfs/dbraw/zinc/06/92/35/488069235.db2.gz YRRKCSRIKBYFNF-UHFFFAOYSA-N 2 2 247.386 2.701 20 0 BFADLP CC[C@@H]1CCCCC[N@@H+]1Cc1c[nH+]c(C)n1C ZINC000667653943 488075729 /nfs/dbraw/zinc/07/57/29/488075729.db2.gz PPXDTLATSLVYGO-CYBMUJFWSA-N 2 2 235.375 2.883 20 0 BFADLP CC[C@@H]1CCCCC[N@H+]1Cc1c[nH+]c(C)n1C ZINC000667653943 488075734 /nfs/dbraw/zinc/07/57/34/488075734.db2.gz PPXDTLATSLVYGO-CYBMUJFWSA-N 2 2 235.375 2.883 20 0 BFADLP C[C@H]1CC[N@H+](Cc2c[nH+]c3n2CCC3)C[C@@H](C)C1 ZINC000667694839 488090564 /nfs/dbraw/zinc/09/05/64/488090564.db2.gz AGRAVXBSQOMCBE-STQMWFEESA-N 2 2 247.386 2.697 20 0 BFADLP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CC1CC=CC1 ZINC000662287407 487537460 /nfs/dbraw/zinc/53/74/60/487537460.db2.gz ZMHCMMVVTZEBPG-MRXNPFEDSA-N 2 2 242.366 2.511 20 0 BFADLP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CC1CC=CC1 ZINC000662287407 487537462 /nfs/dbraw/zinc/53/74/62/487537462.db2.gz ZMHCMMVVTZEBPG-MRXNPFEDSA-N 2 2 242.366 2.511 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378956657 488112968 /nfs/dbraw/zinc/11/29/68/488112968.db2.gz MPNPQBMMCJJNHE-LJISPDSOSA-N 2 2 236.403 2.639 20 0 BFADLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000668683557 488113332 /nfs/dbraw/zinc/11/33/32/488113332.db2.gz YCEIVMBKWPBXOC-KGLIPLIRSA-N 2 2 222.376 2.559 20 0 BFADLP CCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000668683557 488113334 /nfs/dbraw/zinc/11/33/34/488113334.db2.gz YCEIVMBKWPBXOC-KGLIPLIRSA-N 2 2 222.376 2.559 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000668683560 488113351 /nfs/dbraw/zinc/11/33/51/488113351.db2.gz YCEIVMBKWPBXOC-ZIAGYGMSSA-N 2 2 222.376 2.559 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000668683560 488113353 /nfs/dbraw/zinc/11/33/53/488113353.db2.gz YCEIVMBKWPBXOC-ZIAGYGMSSA-N 2 2 222.376 2.559 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403590394 488128425 /nfs/dbraw/zinc/12/84/25/488128425.db2.gz DTJIBRIQTIYQLR-ZQNQSHIBSA-N 2 2 236.403 2.624 20 0 BFADLP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403590394 488128427 /nfs/dbraw/zinc/12/84/27/488128427.db2.gz DTJIBRIQTIYQLR-ZQNQSHIBSA-N 2 2 236.403 2.624 20 0 BFADLP C[NH2+]C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000162137688 487539886 /nfs/dbraw/zinc/53/98/86/487539886.db2.gz CEOWHILWHUMXLE-MRVPVSSYSA-N 2 2 247.169 2.691 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](CCC)C1 ZINC000382105333 487531420 /nfs/dbraw/zinc/53/14/20/487531420.db2.gz COTGZTPAHJPXMH-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CCC)C1 ZINC000382105333 487531422 /nfs/dbraw/zinc/53/14/22/487531422.db2.gz COTGZTPAHJPXMH-CHWSQXEVSA-N 2 2 212.381 2.639 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1cc2ccccc2s1 ZINC000231819616 487477516 /nfs/dbraw/zinc/47/75/16/487477516.db2.gz XEXSNOZOKLCFMS-UHFFFAOYSA-N 2 2 234.368 2.682 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1cc2ccccc2s1 ZINC000231819616 487477519 /nfs/dbraw/zinc/47/75/19/487477519.db2.gz XEXSNOZOKLCFMS-UHFFFAOYSA-N 2 2 234.368 2.682 20 0 BFADLP C[C@H](C[NH2+]CC(C)(C)[NH+](C)C)C(C)(C)C ZINC000308783399 487487913 /nfs/dbraw/zinc/48/79/13/487487913.db2.gz DRONIQLTPKNJIF-LLVKDONJSA-N 2 2 214.397 2.598 20 0 BFADLP Cc1[nH+]cc(C[NH+]2CC(C3CCCCC3)C2)n1C ZINC000668231899 487498270 /nfs/dbraw/zinc/49/82/70/487498270.db2.gz RIGNDSYYRMGOEU-UHFFFAOYSA-N 2 2 247.386 2.741 20 0 BFADLP CC(C)Cc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C2)cc1 ZINC000094078088 487513352 /nfs/dbraw/zinc/51/33/52/487513352.db2.gz YBGPSLDLSCWUPV-CJNGLKHVSA-N 2 2 246.398 2.898 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000116386646 487606552 /nfs/dbraw/zinc/60/65/52/487606552.db2.gz RDUULZLCIIZRAD-HOTGVXAUSA-N 2 2 246.398 2.692 20 0 BFADLP CC[C@@H](Cc1ccccc1)[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000116386646 487606557 /nfs/dbraw/zinc/60/65/57/487606557.db2.gz RDUULZLCIIZRAD-HOTGVXAUSA-N 2 2 246.398 2.692 20 0 BFADLP Cc1cc(C)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1C ZINC000258932670 488142731 /nfs/dbraw/zinc/14/27/31/488142731.db2.gz PPSQXQWUBAMJEP-INIZCTEOSA-N 2 2 246.398 2.844 20 0 BFADLP Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCC[NH2+]2)c1 ZINC000258938868 488142771 /nfs/dbraw/zinc/14/27/71/488142771.db2.gz QFMSBSKRYHVCIP-HNNXBMFYSA-N 2 2 232.371 2.535 20 0 BFADLP c1cn(CC[N@H+](C2CC2)C2CCCCC2)c[nH+]1 ZINC000677981087 488168102 /nfs/dbraw/zinc/16/81/02/488168102.db2.gz TVTAMWBFFDPSPH-UHFFFAOYSA-N 2 2 233.359 2.680 20 0 BFADLP c1cn(CC[N@@H+](C2CC2)C2CCCCC2)c[nH+]1 ZINC000677981087 488168106 /nfs/dbraw/zinc/16/81/06/488168106.db2.gz TVTAMWBFFDPSPH-UHFFFAOYSA-N 2 2 233.359 2.680 20 0 BFADLP CC1([NH3+])CC[NH+](Cc2cscc2Cl)CC1 ZINC000309778100 488192290 /nfs/dbraw/zinc/19/22/90/488192290.db2.gz MEIQFXZFFGABKK-UHFFFAOYSA-N 2 2 244.791 2.715 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000683693742 488208849 /nfs/dbraw/zinc/20/88/49/488208849.db2.gz CNPAFLGQCSJCGG-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP C[C@@H](CC1CC1)[NH2+]C[C@@H]1CCCC[N@H+]1C1CC1 ZINC000683693742 488208853 /nfs/dbraw/zinc/20/88/53/488208853.db2.gz CNPAFLGQCSJCGG-WFASDCNBSA-N 2 2 236.403 2.782 20 0 BFADLP c1[nH+]c2n(c1C[NH+]1CCC3(CCC3)CC1)CCC2 ZINC000668147575 488209281 /nfs/dbraw/zinc/20/92/81/488209281.db2.gz MTQZRUKPCWRMGY-UHFFFAOYSA-N 2 2 245.370 2.595 20 0 BFADLP CC1(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000683700402 488209771 /nfs/dbraw/zinc/20/97/71/488209771.db2.gz YCDJLPIZYJFVOG-ZDUSSCGKSA-N 2 2 233.359 2.710 20 0 BFADLP CC1(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCC1 ZINC000683700402 488209776 /nfs/dbraw/zinc/20/97/76/488209776.db2.gz YCDJLPIZYJFVOG-ZDUSSCGKSA-N 2 2 233.359 2.710 20 0 BFADLP CCCC[C@@H](C)[N@H+](C)Cc1c[nH+]c(C)n1C ZINC000668182076 488215773 /nfs/dbraw/zinc/21/57/73/488215773.db2.gz YJWUPIZJACPBTP-LLVKDONJSA-N 2 2 223.364 2.739 20 0 BFADLP CCCC[C@@H](C)[N@@H+](C)Cc1c[nH+]c(C)n1C ZINC000668182076 488215775 /nfs/dbraw/zinc/21/57/75/488215775.db2.gz YJWUPIZJACPBTP-LLVKDONJSA-N 2 2 223.364 2.739 20 0 BFADLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000398242578 488216450 /nfs/dbraw/zinc/21/64/50/488216450.db2.gz ZZJOMVRJSWVPQK-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000398242578 488216452 /nfs/dbraw/zinc/21/64/52/488216452.db2.gz ZZJOMVRJSWVPQK-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)[C@@H]1[N@H+](Cc2c[nH+]c3n2CCC3)CC1(C)C ZINC000668190402 488218835 /nfs/dbraw/zinc/21/88/35/488218835.db2.gz CHLBBTLKCKSPIM-AWEZNQCLSA-N 2 2 247.386 2.696 20 0 BFADLP CC(C)[C@@H]1[N@@H+](Cc2c[nH+]c3n2CCC3)CC1(C)C ZINC000668190402 488218836 /nfs/dbraw/zinc/21/88/36/488218836.db2.gz CHLBBTLKCKSPIM-AWEZNQCLSA-N 2 2 247.386 2.696 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)n1C ZINC000668196763 488221614 /nfs/dbraw/zinc/22/16/14/488221614.db2.gz WAZOAIVKGHTCQS-ZIAGYGMSSA-N 2 2 247.386 2.739 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)n1C ZINC000668196763 488221619 /nfs/dbraw/zinc/22/16/19/488221619.db2.gz WAZOAIVKGHTCQS-ZIAGYGMSSA-N 2 2 247.386 2.739 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@H+](C)Cc1ccsc1 ZINC000035719399 488236639 /nfs/dbraw/zinc/23/66/39/488236639.db2.gz YFULVZQVHUZIOZ-LBPRGKRZSA-N 2 2 226.389 2.553 20 0 BFADLP CC(C)C[C@H]([NH3+])C[N@@H+](C)Cc1ccsc1 ZINC000035719399 488236641 /nfs/dbraw/zinc/23/66/41/488236641.db2.gz YFULVZQVHUZIOZ-LBPRGKRZSA-N 2 2 226.389 2.553 20 0 BFADLP CCc1ccc[nH+]c1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679151988 488313736 /nfs/dbraw/zinc/31/37/36/488313736.db2.gz WYRVVUPLQTXSED-YPMHNXCESA-N 2 2 233.359 2.539 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@@H+](C)C1)CC2 ZINC000211727801 488323007 /nfs/dbraw/zinc/32/30/07/488323007.db2.gz RJVREUPLXTWPBO-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[N@H+](C)C1)CC2 ZINC000211727801 488323008 /nfs/dbraw/zinc/32/30/08/488323008.db2.gz RJVREUPLXTWPBO-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[N@H+](C)C1 ZINC000684676940 488338310 /nfs/dbraw/zinc/33/83/10/488338310.db2.gz KPZCSQMUWUXCTL-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+][C@@H]1CCC[N@@H+](C)C1 ZINC000684676940 488338313 /nfs/dbraw/zinc/33/83/13/488338313.db2.gz KPZCSQMUWUXCTL-YJNKXOJESA-N 2 2 238.419 2.885 20 0 BFADLP CC[C@H](C)C[NH+]1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000166345499 490090588 /nfs/dbraw/zinc/09/05/88/490090588.db2.gz MNHUPKZERHEOAW-ZDUSSCGKSA-N 2 2 247.386 2.558 20 0 BFADLP CSc1ccc([C@H](C)[NH2+]Cc2c[nH+]c[nH]2)cc1 ZINC000054764505 490178557 /nfs/dbraw/zinc/17/85/57/490178557.db2.gz SHXHOGGFPWBRLH-JTQLQIEISA-N 2 2 247.367 2.982 20 0 BFADLP CC(C)C[C@@H](C)[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227191446 491055778 /nfs/dbraw/zinc/05/57/78/491055778.db2.gz FIBNCCXLBWCUMY-ZIAGYGMSSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C[C@@H](C)[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000227191446 491055780 /nfs/dbraw/zinc/05/57/80/491055780.db2.gz FIBNCCXLBWCUMY-ZIAGYGMSSA-N 2 2 226.408 2.883 20 0 BFADLP CC(C)C([NH2+]CC[NH+]1CCCCC1)C(C)C ZINC000303526199 491115991 /nfs/dbraw/zinc/11/59/91/491115991.db2.gz RCUBNEGEPSQNJI-UHFFFAOYSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H]1CCCCC[C@@H]1[NH2+]CC[NH+]1CCCC1 ZINC000229593885 491116464 /nfs/dbraw/zinc/11/64/64/491116464.db2.gz WTLOTONQNZTXRD-KBPBESRZSA-N 2 2 224.392 2.641 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)C(C)(C)C ZINC000223631973 491137755 /nfs/dbraw/zinc/13/77/55/491137755.db2.gz UKFFRXVHWSQEBB-YNEHKIRRSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)C(C)(C)C ZINC000223631973 491137756 /nfs/dbraw/zinc/13/77/56/491137756.db2.gz UKFFRXVHWSQEBB-YNEHKIRRSA-N 2 2 238.419 2.883 20 0 BFADLP C[C@@H]1C[C@@H]1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000488333818 533727995 /nfs/dbraw/zinc/72/79/95/533727995.db2.gz VOZJQWKUZAGQPF-TZMCWYRMSA-N 2 2 241.338 2.618 20 0 BFADLP C[C@@H]1CCC[C@H](C[NH2+]C(C)(C)C[NH+](C)C)C1 ZINC000308607127 533856566 /nfs/dbraw/zinc/85/65/66/533856566.db2.gz HVPLKELGFPAFLH-OLZOCXBDSA-N 2 2 226.408 2.743 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000220568584 535539964 /nfs/dbraw/zinc/53/99/64/535539964.db2.gz VRIJXUDTNFAJIH-HZSPNIEDSA-N 2 2 226.408 2.743 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342924825 535612493 /nfs/dbraw/zinc/61/24/93/535612493.db2.gz GIYJEBBOFQVDGE-ZFWWWQNUSA-N 2 2 248.370 2.971 20 0 BFADLP CCC[C@H](C)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000342924825 535612499 /nfs/dbraw/zinc/61/24/99/535612499.db2.gz GIYJEBBOFQVDGE-ZFWWWQNUSA-N 2 2 248.370 2.971 20 0 BFADLP CC[N@H+]1C[C@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC000343072593 535784014 /nfs/dbraw/zinc/78/40/14/535784014.db2.gz QGPIUBFTPNPNMG-ZFWWWQNUSA-N 2 2 236.403 2.807 20 0 BFADLP CC[N@@H+]1C[C@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC000343072593 535784016 /nfs/dbraw/zinc/78/40/16/535784016.db2.gz QGPIUBFTPNPNMG-ZFWWWQNUSA-N 2 2 236.403 2.807 20 0 BFADLP C[C@@H]1CC[C@H]([NH2+][C@H]2CCn3cc[nH+]c3C2)C[C@@H]1C ZINC000494414485 534257915 /nfs/dbraw/zinc/25/79/15/534257915.db2.gz PDWFBHQJHPITJZ-RFGFWPKPSA-N 2 2 247.386 2.612 20 0 BFADLP CCC[C@H]([NH2+]CC[NH+]1CCCC1)C(C)(C)C ZINC000451412739 517613640 /nfs/dbraw/zinc/61/36/40/517613640.db2.gz AWVWNDDLGMYUEF-ZDUSSCGKSA-N 2 2 226.408 2.887 20 0 BFADLP C[NH2+]C1CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000261584457 536440178 /nfs/dbraw/zinc/44/01/78/536440178.db2.gz SGTRPEXHKZXIKV-UHFFFAOYSA-N 2 2 244.338 2.617 20 0 BFADLP CC(C)C1CC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000486906546 527629175 /nfs/dbraw/zinc/62/91/75/527629175.db2.gz UAEZOFKQYPVCFU-BLYZHGLHSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)C1CC([NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)C1 ZINC000486906546 527629181 /nfs/dbraw/zinc/62/91/81/527629181.db2.gz UAEZOFKQYPVCFU-BLYZHGLHSA-N 2 2 236.403 2.636 20 0 BFADLP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000173933046 527727034 /nfs/dbraw/zinc/72/70/34/527727034.db2.gz AOROMXCAFUWATE-CABCVRRESA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000173933046 527727040 /nfs/dbraw/zinc/72/70/40/527727040.db2.gz AOROMXCAFUWATE-CABCVRRESA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000173933046 527727045 /nfs/dbraw/zinc/72/70/45/527727045.db2.gz AOROMXCAFUWATE-CABCVRRESA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000173933046 527727050 /nfs/dbraw/zinc/72/70/50/527727050.db2.gz AOROMXCAFUWATE-CABCVRRESA-N 2 2 238.419 2.980 20 0 BFADLP CC(C)C[C@@H](C)C[C@H](C)[NH2+][C@@H](C)C[NH+](C)C ZINC000309629136 528254735 /nfs/dbraw/zinc/25/47/35/528254735.db2.gz QUISSGNUVRLOHQ-RDBSUJKOSA-N 2 2 228.424 2.987 20 0 BFADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@H]1C[C@@H]1C)CC2 ZINC000488313998 529111593 /nfs/dbraw/zinc/11/15/93/529111593.db2.gz NUKKRTCUUTXKBI-YJNKXOJESA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@H]1C[C@@H]1C)CC2 ZINC000488313998 529111595 /nfs/dbraw/zinc/11/15/95/529111595.db2.gz NUKKRTCUUTXKBI-YJNKXOJESA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C[C@H]1C[C@@H]1C)CC2 ZINC000488313998 529111597 /nfs/dbraw/zinc/11/15/97/529111597.db2.gz NUKKRTCUUTXKBI-YJNKXOJESA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C[C@H]1C[C@@H]1C)CC2 ZINC000488313998 529111599 /nfs/dbraw/zinc/11/15/99/529111599.db2.gz NUKKRTCUUTXKBI-YJNKXOJESA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[N@@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@@H]1C[C@H]1C)CC2 ZINC000488313993 529112445 /nfs/dbraw/zinc/11/24/45/529112445.db2.gz NUKKRTCUUTXKBI-BARDWOONSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[NH+](C[C@@H]1C[C@H]1C)CC2 ZINC000488313993 529112446 /nfs/dbraw/zinc/11/24/46/529112446.db2.gz NUKKRTCUUTXKBI-BARDWOONSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@H+](C[C@@H]1C[C@H]1C)CC2 ZINC000488313993 529112451 /nfs/dbraw/zinc/11/24/51/529112451.db2.gz NUKKRTCUUTXKBI-BARDWOONSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[NH+]1[C@@H]2CC[C@H]1C[N@@H+](C[C@@H]1C[C@H]1C)CC2 ZINC000488313993 529112454 /nfs/dbraw/zinc/11/24/54/529112454.db2.gz NUKKRTCUUTXKBI-BARDWOONSA-N 2 2 236.403 2.590 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000850493465 582921357 /nfs/dbraw/zinc/92/13/57/582921357.db2.gz IZNNXSNXHSESSN-IHRRRGAJSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000850493465 582921361 /nfs/dbraw/zinc/92/13/61/582921361.db2.gz IZNNXSNXHSESSN-IHRRRGAJSA-N 2 2 238.419 2.883 20 0 BFADLP CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000251287758 535608869 /nfs/dbraw/zinc/60/88/69/535608869.db2.gz HCZKACZFGKYCJT-RWMBFGLXSA-N 2 2 212.381 2.624 20 0 BFADLP CCC[C@H](C)C[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000251287758 535608878 /nfs/dbraw/zinc/60/88/78/535608878.db2.gz HCZKACZFGKYCJT-RWMBFGLXSA-N 2 2 212.381 2.624 20 0 BFADLP CC[C@@H]([NH2+][C@@H](C)C[NH+](C)C)c1ccc(C)cc1 ZINC000168756941 535808056 /nfs/dbraw/zinc/80/80/56/535808056.db2.gz SBKRKGRTLIPMSR-DZGCQCFKSA-N 2 2 234.387 2.986 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000348125481 535824930 /nfs/dbraw/zinc/82/49/30/535824930.db2.gz OWGWATCGQZLYKL-VNHYZAJKSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@H]1[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000348125481 535824931 /nfs/dbraw/zinc/82/49/31/535824931.db2.gz OWGWATCGQZLYKL-VNHYZAJKSA-N 2 2 236.403 2.782 20 0 BFADLP C[NH2+][C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000219860053 536412878 /nfs/dbraw/zinc/41/28/78/536412878.db2.gz XRIWMMGYFIVEQD-INIZCTEOSA-N 2 2 246.398 2.796 20 0 BFADLP C[NH2+][C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2C)C1 ZINC000219860053 536412881 /nfs/dbraw/zinc/41/28/81/536412881.db2.gz XRIWMMGYFIVEQD-INIZCTEOSA-N 2 2 246.398 2.796 20 0 BFADLP C[N@@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC1(C)CCC1 ZINC000447901401 537960519 /nfs/dbraw/zinc/96/05/19/537960519.db2.gz GTKARBLQZIJMDD-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP C[N@H+]1CCCC(C)(C)[C@@H]1C[NH2+]CC1(C)CCC1 ZINC000447901401 537960523 /nfs/dbraw/zinc/96/05/23/537960523.db2.gz GTKARBLQZIJMDD-ZDUSSCGKSA-N 2 2 238.419 2.887 20 0 BFADLP c1ccc(NCCC[NH2+][C@H]2CC[C@@H]2C2CC2)[nH+]c1 ZINC000348073410 566261916 /nfs/dbraw/zinc/26/19/16/566261916.db2.gz LFUAYBGVEJJEGJ-KGLIPLIRSA-N 2 2 245.370 2.662 20 0 BFADLP c1ccc(NCCC[NH2+][C@@H]2CC[C@@H]2C2CC2)[nH+]c1 ZINC000348073416 566262006 /nfs/dbraw/zinc/26/20/06/566262006.db2.gz LFUAYBGVEJJEGJ-ZIAGYGMSSA-N 2 2 245.370 2.662 20 0 BFADLP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000348257816 566266846 /nfs/dbraw/zinc/26/68/46/566266846.db2.gz SLYHPJBTKHINHP-XHSDSOJGSA-N 2 2 248.414 2.782 20 0 BFADLP C([NH2+][C@H]1CC[C@@H]1C1CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000348257816 566266848 /nfs/dbraw/zinc/26/68/48/566266848.db2.gz SLYHPJBTKHINHP-XHSDSOJGSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1CC[C@@H]1[NH2+]CCCCNc1cccc[nH+]1 ZINC000783231764 582950892 /nfs/dbraw/zinc/95/08/92/582950892.db2.gz BAKDUFQKSBEOII-OLZOCXBDSA-N 2 2 233.359 2.662 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[N@H+](C)C2)C1 ZINC000394513883 582989965 /nfs/dbraw/zinc/98/99/65/582989965.db2.gz CCUCZRJPJZPSAN-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCC[N@@H+](C)C2)C1 ZINC000394513883 582989968 /nfs/dbraw/zinc/98/99/68/582989968.db2.gz CCUCZRJPJZPSAN-KFWWJZLASA-N 2 2 238.419 2.887 20 0 BFADLP CCCSC[C@H](C)[NH2+]CC[NH+]1CCCCC1 ZINC000893326642 583101988 /nfs/dbraw/zinc/10/19/88/583101988.db2.gz RJAYXSPLTHUIBG-ZDUSSCGKSA-N 2 2 244.448 2.594 20 0 BFADLP C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@H+](C)C1 ZINC000776173791 583112019 /nfs/dbraw/zinc/11/20/19/583112019.db2.gz MNKOGCILBKYBHE-GOEBONIOSA-N 2 2 246.398 2.549 20 0 BFADLP C[C@@H](CCc1ccccc1)C[NH2+][C@@H]1CC[N@@H+](C)C1 ZINC000776173791 583112022 /nfs/dbraw/zinc/11/20/22/583112022.db2.gz MNKOGCILBKYBHE-GOEBONIOSA-N 2 2 246.398 2.549 20 0 BFADLP CCCSC[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000893355580 583120885 /nfs/dbraw/zinc/12/08/85/583120885.db2.gz GDKOCGWKZYGPOQ-OLZOCXBDSA-N 2 2 244.448 2.592 20 0 BFADLP CCCSC[C@@H](C)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000893355580 583120888 /nfs/dbraw/zinc/12/08/88/583120888.db2.gz GDKOCGWKZYGPOQ-OLZOCXBDSA-N 2 2 244.448 2.592 20 0 BFADLP Cc1coc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000893979854 583265841 /nfs/dbraw/zinc/26/58/41/583265841.db2.gz GHYAYNRQOGZNNB-UHFFFAOYSA-N 2 2 245.326 2.622 20 0 BFADLP Cc1cccc([C@@H](C)C[NH2+]Cc2c[nH+]c[nH]2)c1 ZINC000894302947 583416307 /nfs/dbraw/zinc/41/63/07/583416307.db2.gz FPUSWMZLXJVPME-LBPRGKRZSA-N 2 2 229.327 2.611 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC000880143076 583476497 /nfs/dbraw/zinc/47/64/97/583476497.db2.gz XRULWPMXERNRLE-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC000880143076 583476499 /nfs/dbraw/zinc/47/64/99/583476499.db2.gz XRULWPMXERNRLE-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCC1 ZINC000880143076 583476501 /nfs/dbraw/zinc/47/65/01/583476501.db2.gz XRULWPMXERNRLE-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CCCC1CCC1 ZINC000880143076 583476502 /nfs/dbraw/zinc/47/65/02/583476502.db2.gz XRULWPMXERNRLE-LSDHHAIUSA-N 2 2 236.403 2.735 20 0 BFADLP c1[nH]c(C[NH2+]Cc2ccc(C3CCC3)cc2)c[nH+]1 ZINC000894560217 583483017 /nfs/dbraw/zinc/48/30/17/583483017.db2.gz WGEIVLSNEPXMMH-UHFFFAOYSA-N 2 2 241.338 2.967 20 0 BFADLP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1c[nH+]c[nH]1)CCC2 ZINC000894784163 583521370 /nfs/dbraw/zinc/52/13/70/583521370.db2.gz GGJZZIJIVGDRSM-HNNXBMFYSA-N 2 2 241.338 2.885 20 0 BFADLP FC1(F)CCCC[C@@H](C[NH2+]Cc2c[nH+]c[nH]2)C1 ZINC000894832875 583528442 /nfs/dbraw/zinc/52/84/42/583528442.db2.gz XZBSCAFFCCWNMN-SNVBAGLBSA-N 2 2 243.301 2.715 20 0 BFADLP CC(C)=CCC[C@H](C)[NH2+]Cc1c[nH+]c[nH]1 ZINC000894880888 583543659 /nfs/dbraw/zinc/54/36/59/583543659.db2.gz PKSPCCVNZRTBLM-NSHDSACASA-N 2 2 207.321 2.634 20 0 BFADLP [NH3+][C@H]1CC[C@H](N(CC2CC2)c2cccc[nH+]2)CC1 ZINC000895112072 583591099 /nfs/dbraw/zinc/59/10/99/583591099.db2.gz TYSUOMAVKJXEPD-HDJSIYSDSA-N 2 2 245.370 2.568 20 0 BFADLP C[C@H](CC[NH2+]Cc1cscc1Cl)[NH+](C)C ZINC000895297416 583641388 /nfs/dbraw/zinc/64/13/88/583641388.db2.gz VXAJIZJCHCWXIH-SECBINFHSA-N 2 2 246.807 2.831 20 0 BFADLP CC1=CC[C@H]([NH2+]Cc2cc(N(C)C)cc[nH+]2)CC1 ZINC000896298251 583789006 /nfs/dbraw/zinc/78/90/06/583789006.db2.gz HMJBEJPGWFEOLB-ZDUSSCGKSA-N 2 2 245.370 2.736 20 0 BFADLP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000896552813 583810806 /nfs/dbraw/zinc/81/08/06/583810806.db2.gz JAUVCEHOFVMZSD-ZBFHGGJFSA-N 2 2 246.398 2.528 20 0 BFADLP Cc1cc(C)cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000896552813 583810807 /nfs/dbraw/zinc/81/08/07/583810807.db2.gz JAUVCEHOFVMZSD-ZBFHGGJFSA-N 2 2 246.398 2.528 20 0 BFADLP CCSc1cccc(C[N@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863652582 583995017 /nfs/dbraw/zinc/99/50/17/583995017.db2.gz UVDQDJJXDODIDT-LLVKDONJSA-N 2 2 238.400 2.578 20 0 BFADLP CCSc1cccc(C[N@@H+](C)C[C@@H](C)[NH3+])c1 ZINC000863652582 583995020 /nfs/dbraw/zinc/99/50/20/583995020.db2.gz UVDQDJJXDODIDT-LLVKDONJSA-N 2 2 238.400 2.578 20 0 BFADLP Cc1[nH+]cc(CNc2ccc(C3CC3)c[nH+]2)n1C ZINC000897715296 584043545 /nfs/dbraw/zinc/04/35/45/584043545.db2.gz INZQUIVSOWZWPX-UHFFFAOYSA-N 2 2 242.326 2.613 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CC[C@H]2C)C[N@@H+]1C1CC1 ZINC000898223922 584102133 /nfs/dbraw/zinc/10/21/33/584102133.db2.gz JVYYWLAYEITYJP-GUIRCDHDSA-N 2 2 234.387 2.556 20 0 BFADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CC=CC[C@H]2C)C[N@H+]1C1CC1 ZINC000898223922 584102135 /nfs/dbraw/zinc/10/21/35/584102135.db2.gz JVYYWLAYEITYJP-GUIRCDHDSA-N 2 2 234.387 2.556 20 0 BFADLP CC(C)C[C@@H](C[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000898314533 584110993 /nfs/dbraw/zinc/11/09/93/584110993.db2.gz YYORHPMICKBQMF-SRVKXCTJSA-N 2 2 248.361 2.596 20 0 BFADLP Cc1cc2[nH+]ccn2c(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000899328039 584197746 /nfs/dbraw/zinc/19/77/46/584197746.db2.gz MDMFNTLFOIWUQX-OLZOCXBDSA-N 2 2 239.322 2.550 20 0 BFADLP CC(C)CC[C@@H]([NH2+]CC1([NH3+])CC1)c1ccoc1 ZINC000902408066 584574639 /nfs/dbraw/zinc/57/46/39/584574639.db2.gz WJFWECCGRQPCGZ-CYBMUJFWSA-N 2 2 236.359 2.838 20 0 BFADLP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902417522 584590930 /nfs/dbraw/zinc/59/09/30/584590930.db2.gz RZJQRXAUESAIBD-LLVKDONJSA-N 2 2 244.338 2.883 20 0 BFADLP CC(C)C1CC([NH2+][C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000902429833 584595011 /nfs/dbraw/zinc/59/50/11/584595011.db2.gz AEKAONABXXUCGU-BCAXMMLOSA-N 2 2 244.382 2.635 20 0 BFADLP CC[C@H]([NH2+][C@H]1C[NH2+]CC1(C)C)c1ccccc1 ZINC000902442402 584597653 /nfs/dbraw/zinc/59/76/53/584597653.db2.gz BWVFAQIXXTUDRR-KBPBESRZSA-N 2 2 232.371 2.725 20 0 BFADLP C[C@@H]([NH2+]CC1([NH3+])CC1)c1ccc(Cl)c(F)c1 ZINC000902413392 584599889 /nfs/dbraw/zinc/59/98/89/584599889.db2.gz LDJAVANBUVWTGK-MRVPVSSYSA-N 2 2 242.725 2.621 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)cc1 ZINC000902447006 584603919 /nfs/dbraw/zinc/60/39/19/584603919.db2.gz PWYWBBFVEPFCSP-OCCSQVGLSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC2(C)C)cc1 ZINC000902446684 584604148 /nfs/dbraw/zinc/60/41/48/584604148.db2.gz PWYWBBFVEPFCSP-JSGCOSHPSA-N 2 2 232.371 2.644 20 0 BFADLP CC[C@@H](C)[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000902446851 584604343 /nfs/dbraw/zinc/60/43/43/584604343.db2.gz VOTSFYBVTHRRBC-BAESOJJISA-N 2 2 232.371 2.635 20 0 BFADLP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[NH2+]CC1(C)C ZINC000902448056 584605096 /nfs/dbraw/zinc/60/50/96/584605096.db2.gz XLDLYJOVGKKJTH-OCCSQVGLSA-N 2 2 232.371 2.644 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[NH2+]CC1(C)C ZINC000902449209 584605690 /nfs/dbraw/zinc/60/56/90/584605690.db2.gz MPOOGKBBINOVMC-LSDHHAIUSA-N 2 2 244.382 2.570 20 0 BFADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC000902463967 584612194 /nfs/dbraw/zinc/61/21/94/584612194.db2.gz BXCODZNVKFOXSP-LZYVBGRKSA-N 2 2 242.366 2.717 20 0 BFADLP c1ccc([C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C2CC2)cc1 ZINC000902471032 584616596 /nfs/dbraw/zinc/61/65/96/584616596.db2.gz JVBDIGJPHQPXHJ-ZJIFWQFVSA-N 2 2 242.366 2.620 20 0 BFADLP C[C@@H]([NH2+]C[C@@H]1CCCCC[NH2+]1)c1cccc(O)c1 ZINC000902481774 584624268 /nfs/dbraw/zinc/62/42/68/584624268.db2.gz GZOQRZLVHJNTPL-OCCSQVGLSA-N 2 2 248.370 2.575 20 0 BFADLP Cc1cncc([C@H](C)[NH2+]C[C@H]2CCCCC[NH2+]2)c1 ZINC000902483045 584624342 /nfs/dbraw/zinc/62/43/42/584624342.db2.gz OSCUETUIWHPNIS-DZGCQCFKSA-N 2 2 247.386 2.573 20 0 BFADLP Cc1ccncc1[C@H](C)[NH2+]C[C@@H]1CCCCC[NH2+]1 ZINC000902484540 584625010 /nfs/dbraw/zinc/62/50/10/584625010.db2.gz WFBXWCCIOSTEDY-KBPBESRZSA-N 2 2 247.386 2.573 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902796787 584674873 /nfs/dbraw/zinc/67/48/73/584674873.db2.gz QGHGYAJHGMYFTO-KFWWJZLASA-N 2 2 248.414 2.639 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H]3C2)C1 ZINC000902796787 584674876 /nfs/dbraw/zinc/67/48/76/584674876.db2.gz QGHGYAJHGMYFTO-KFWWJZLASA-N 2 2 248.414 2.639 20 0 BFADLP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCn2cc[nH+]c2)[C@@H]1C ZINC000903058654 584722680 /nfs/dbraw/zinc/72/26/80/584722680.db2.gz SOVHZEHKNOLSKB-XJFOESAGSA-N 2 2 235.375 2.543 20 0 BFADLP CC[C@@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C1CCC1 ZINC000903197793 584734771 /nfs/dbraw/zinc/73/47/71/584734771.db2.gz VUCPZMPXSLCFTL-OAHLLOKOSA-N 2 2 247.386 2.816 20 0 BFADLP CC[C@H]([NH2+]Cc1cc(N(C)C)cc[nH+]1)C1CCC1 ZINC000903197792 584734847 /nfs/dbraw/zinc/73/48/47/584734847.db2.gz VUCPZMPXSLCFTL-HNNXBMFYSA-N 2 2 247.386 2.816 20 0 BFADLP C[C@H]1C[C@@H](Nc2cccc(C3CC3)[nH+]2)CC[N@@H+]1C ZINC000903267533 584741521 /nfs/dbraw/zinc/74/15/21/584741521.db2.gz CPQHOQFVFFHNAF-AAEUAGOBSA-N 2 2 245.370 2.854 20 0 BFADLP C[C@@H]1C[C@@H](Nc2cccc(C3CC3)[nH+]2)CC[N@@H+]1C ZINC000903267536 584741604 /nfs/dbraw/zinc/74/16/04/584741604.db2.gz CPQHOQFVFFHNAF-YPMHNXCESA-N 2 2 245.370 2.854 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)CC[N@@H+]1C ZINC000903300483 584743956 /nfs/dbraw/zinc/74/39/56/584743956.db2.gz ISDFWVPOLGUWKC-BYCMXARLSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@@H]1[C@@H]([NH2+][C@@H](C2CC2)C2CCCC2)CC[N@H+]1C ZINC000903300483 584743958 /nfs/dbraw/zinc/74/39/58/584743958.db2.gz ISDFWVPOLGUWKC-BYCMXARLSA-N 2 2 236.403 2.637 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]1C)[C@@H](C)c1ccccc1 ZINC000903301854 584744550 /nfs/dbraw/zinc/74/45/50/584744550.db2.gz WEKMVPYDSGAHMM-ORIJERBGSA-N 2 2 246.398 2.861 20 0 BFADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]1C)[C@@H](C)c1ccccc1 ZINC000903301854 584744552 /nfs/dbraw/zinc/74/45/52/584744552.db2.gz WEKMVPYDSGAHMM-ORIJERBGSA-N 2 2 246.398 2.861 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H]1C ZINC000903301856 584745181 /nfs/dbraw/zinc/74/51/81/584745181.db2.gz WEKMVPYDSGAHMM-TTZDDIAXSA-N 2 2 246.398 2.861 20 0 BFADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000903301856 584745183 /nfs/dbraw/zinc/74/51/83/584745183.db2.gz WEKMVPYDSGAHMM-TTZDDIAXSA-N 2 2 246.398 2.861 20 0 BFADLP C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000903314528 584748688 /nfs/dbraw/zinc/74/86/88/584748688.db2.gz AEQIZJNCWGCEMF-SUJAAXHWSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CCC[C@H]2[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000903314528 584748689 /nfs/dbraw/zinc/74/86/89/584748689.db2.gz AEQIZJNCWGCEMF-SUJAAXHWSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000903314527 584748726 /nfs/dbraw/zinc/74/87/26/584748726.db2.gz AEQIZJNCWGCEMF-LEOABGAYSA-N 2 2 248.414 2.782 20 0 BFADLP C1[C@H]2CCC[C@@H]2[C@H]1[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000903314527 584748727 /nfs/dbraw/zinc/74/87/27/584748727.db2.gz AEQIZJNCWGCEMF-LEOABGAYSA-N 2 2 248.414 2.782 20 0 BFADLP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000903413459 584759942 /nfs/dbraw/zinc/75/99/42/584759942.db2.gz MPJNNMIVIJLCMQ-WCVJEAGWSA-N 2 2 248.414 2.948 20 0 BFADLP C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000903413459 584759944 /nfs/dbraw/zinc/75/99/44/584759944.db2.gz MPJNNMIVIJLCMQ-WCVJEAGWSA-N 2 2 248.414 2.948 20 0 BFADLP CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440439 584763249 /nfs/dbraw/zinc/76/32/49/584763249.db2.gz XYAUXQFQZWARSK-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903440439 584763250 /nfs/dbraw/zinc/76/32/50/584763250.db2.gz XYAUXQFQZWARSK-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCCCC[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]1 ZINC000903460804 584766438 /nfs/dbraw/zinc/76/64/38/584766438.db2.gz INUBDNLHMRJKIZ-ZIAGYGMSSA-N 2 2 224.392 2.783 20 0 BFADLP CCCCC[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]1 ZINC000903460804 584766439 /nfs/dbraw/zinc/76/64/39/584766439.db2.gz INUBDNLHMRJKIZ-ZIAGYGMSSA-N 2 2 224.392 2.783 20 0 BFADLP CC1CC(C[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000903751232 584795452 /nfs/dbraw/zinc/79/54/52/584795452.db2.gz GIBSUGSDZNCTSE-WUCCLRPBSA-N 2 2 236.403 2.639 20 0 BFADLP CC1CC(C[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000903751232 584795454 /nfs/dbraw/zinc/79/54/54/584795454.db2.gz GIBSUGSDZNCTSE-WUCCLRPBSA-N 2 2 236.403 2.639 20 0 BFADLP CC(C)=CCC[N@@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903800836 584801222 /nfs/dbraw/zinc/80/12/22/584801222.db2.gz JABJGWCQYCBXQF-KBPBESRZSA-N 2 2 222.376 2.546 20 0 BFADLP CC(C)=CCC[N@H+]1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903800836 584801224 /nfs/dbraw/zinc/80/12/24/584801224.db2.gz JABJGWCQYCBXQF-KBPBESRZSA-N 2 2 222.376 2.546 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000903803007 584802099 /nfs/dbraw/zinc/80/20/99/584802099.db2.gz VNPVJBQEKMIXSA-RBGFHDKUSA-N 2 2 248.414 2.626 20 0 BFADLP [NH3+]C[C@]12CC[C@@H]1CCC[N@H+]2C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000903803007 584802100 /nfs/dbraw/zinc/80/21/00/584802100.db2.gz VNPVJBQEKMIXSA-RBGFHDKUSA-N 2 2 248.414 2.626 20 0 BFADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903805621 584802811 /nfs/dbraw/zinc/80/28/11/584802811.db2.gz PMXRAKNCUFJQDU-WCVJEAGWSA-N 2 2 248.414 2.626 20 0 BFADLP [NH3+]C[C@@]12CC[C@H]1CCC[N@H+]2CC[C@@H]1C[C@H]1C1CC1 ZINC000903805621 584802813 /nfs/dbraw/zinc/80/28/13/584802813.db2.gz PMXRAKNCUFJQDU-WCVJEAGWSA-N 2 2 248.414 2.626 20 0 BFADLP CC1(C)CCC([NH2+]Cc2cc(N)cc[nH+]2)CC1 ZINC000903950626 584830670 /nfs/dbraw/zinc/83/06/70/584830670.db2.gz OZNFRBFAQIXPHW-UHFFFAOYSA-N 2 2 233.359 2.722 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cc(N)cc[nH+]1 ZINC000903950658 584831065 /nfs/dbraw/zinc/83/10/65/584831065.db2.gz PSMXVTRDFULZEP-WCQYABFASA-N 2 2 235.375 2.968 20 0 BFADLP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(N)cc[nH+]2)C1 ZINC000903953694 584831185 /nfs/dbraw/zinc/83/11/85/584831185.db2.gz JBWFKUZPQWFEMS-VXGBXAGGSA-N 2 2 233.359 2.580 20 0 BFADLP C[C@H]([NH2+]Cc1cc(N)cc[nH+]1)C1CCCCC1 ZINC000903954764 584832359 /nfs/dbraw/zinc/83/23/59/584832359.db2.gz UZUSHHTWLPBMIR-NSHDSACASA-N 2 2 233.359 2.722 20 0 BFADLP CC(C)(C)CC[C@@H]([NH3+])C[NH+]1CCC(F)(F)CC1 ZINC000904337462 584863286 /nfs/dbraw/zinc/86/32/86/584863286.db2.gz ZQHDUZDWAYCNHM-LLVKDONJSA-N 2 2 248.361 2.871 20 0 BFADLP CC[N@H+](CC[NH3+])Cc1ccc(C(F)F)c(F)c1 ZINC000904379647 584876785 /nfs/dbraw/zinc/87/67/85/584876785.db2.gz APHKBNRXAZTKEU-UHFFFAOYSA-N 2 2 246.276 2.544 20 0 BFADLP CC[N@@H+](CC[NH3+])Cc1ccc(C(F)F)c(F)c1 ZINC000904379647 584876786 /nfs/dbraw/zinc/87/67/86/584876786.db2.gz APHKBNRXAZTKEU-UHFFFAOYSA-N 2 2 246.276 2.544 20 0 BFADLP CCCCCC[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000757642484 585343637 /nfs/dbraw/zinc/34/36/37/585343637.db2.gz MGHCPBRECMEPDQ-CYBMUJFWSA-N 2 2 235.375 2.790 20 0 BFADLP CCCCCC[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000757642484 585343638 /nfs/dbraw/zinc/34/36/38/585343638.db2.gz MGHCPBRECMEPDQ-CYBMUJFWSA-N 2 2 235.375 2.790 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000806143602 585465186 /nfs/dbraw/zinc/46/51/86/585465186.db2.gz VVYKPXNNPDGVFL-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000806143602 585465187 /nfs/dbraw/zinc/46/51/87/585465187.db2.gz VVYKPXNNPDGVFL-RDBSUJKOSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[N@@H+](C)C1 ZINC000765278178 585483554 /nfs/dbraw/zinc/48/35/54/585483554.db2.gz BSUPGQYXZSFYMM-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1ccc2c(c1)CC[C@H]2[NH2+][C@H]1CCC[N@H+](C)C1 ZINC000765278178 585483555 /nfs/dbraw/zinc/48/35/55/585483555.db2.gz BSUPGQYXZSFYMM-GOEBONIOSA-N 2 2 244.382 2.666 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C2)c1C ZINC000765772604 585492481 /nfs/dbraw/zinc/49/24/81/585492481.db2.gz WYFBJMMJSSAMQJ-KGLIPLIRSA-N 2 2 232.371 2.658 20 0 BFADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C2)c1C ZINC000765772604 585492482 /nfs/dbraw/zinc/49/24/82/585492482.db2.gz WYFBJMMJSSAMQJ-KGLIPLIRSA-N 2 2 232.371 2.658 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000766266787 585499555 /nfs/dbraw/zinc/49/95/55/585499555.db2.gz BNMPZSVFQJJHKN-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000766266787 585499556 /nfs/dbraw/zinc/49/95/56/585499556.db2.gz BNMPZSVFQJJHKN-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CC[N@H+](Cc2ccoc2)C[C@H]1n1cc[nH+]c1 ZINC000770325333 585572725 /nfs/dbraw/zinc/57/27/25/585572725.db2.gz NRRIXPJBADIDCQ-GXTWGEPZSA-N 2 2 245.326 2.559 20 0 BFADLP C[C@H]1CC[N@@H+](Cc2ccoc2)C[C@H]1n1cc[nH+]c1 ZINC000770325333 585572726 /nfs/dbraw/zinc/57/27/26/585572726.db2.gz NRRIXPJBADIDCQ-GXTWGEPZSA-N 2 2 245.326 2.559 20 0 BFADLP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000771390101 585593500 /nfs/dbraw/zinc/59/35/00/585593500.db2.gz VLQWRROIVNWGJY-PMPSAXMXSA-N 2 2 244.382 2.616 20 0 BFADLP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)C1 ZINC000771390101 585593501 /nfs/dbraw/zinc/59/35/01/585593501.db2.gz VLQWRROIVNWGJY-PMPSAXMXSA-N 2 2 244.382 2.616 20 0 BFADLP CCCC1CCC(C[NH2+][C@@H]2CC[N@H+](C)C2)CC1 ZINC000771832925 585601734 /nfs/dbraw/zinc/60/17/34/585601734.db2.gz PJUSEMYEGGIVNL-YMAMQOFZSA-N 2 2 238.419 2.887 20 0 BFADLP CCCC1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C2)CC1 ZINC000771832925 585601735 /nfs/dbraw/zinc/60/17/35/585601735.db2.gz PJUSEMYEGGIVNL-YMAMQOFZSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@@](C)([NH2+]CC[NH+]1CCCC1)c1ccccc1 ZINC000775386403 585677176 /nfs/dbraw/zinc/67/71/76/585677176.db2.gz DKVHITSHXPBXKW-MRXNPFEDSA-N 2 2 246.398 2.997 20 0 BFADLP CCC[C@H](C[NH2+][C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC000776350387 585696180 /nfs/dbraw/zinc/69/61/80/585696180.db2.gz JQLVNZBRYHKPCW-CVEARBPZSA-N 2 2 246.398 2.864 20 0 BFADLP CCC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000776350387 585696181 /nfs/dbraw/zinc/69/61/81/585696181.db2.gz JQLVNZBRYHKPCW-CVEARBPZSA-N 2 2 246.398 2.864 20 0 BFADLP CCCCC[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000779064215 585744638 /nfs/dbraw/zinc/74/46/38/585744638.db2.gz HDZSBGRPHGPCCV-CHWSQXEVSA-N 2 2 235.375 2.756 20 0 BFADLP C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000783225696 585831382 /nfs/dbraw/zinc/83/13/82/585831382.db2.gz WUJGBBMCOKIUIA-JSGCOSHPSA-N 2 2 241.338 2.760 20 0 BFADLP C[C@@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C[NH+](C)C ZINC000783226162 585831552 /nfs/dbraw/zinc/83/15/52/585831552.db2.gz YTOAJVYZWSYWEE-VNQPRFMTSA-N 2 2 246.398 2.547 20 0 BFADLP Cc1ccccc1[C@@H]([NH2+]Cc1c[nH+]c[nH]1)C1CC1 ZINC000796447732 586103198 /nfs/dbraw/zinc/10/31/98/586103198.db2.gz BYKPWHJIBWMDKU-HNNXBMFYSA-N 2 2 241.338 2.959 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000800973172 586238720 /nfs/dbraw/zinc/23/87/20/586238720.db2.gz VDKQQCSMXHCRII-BPLDGKMQSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000800973172 586238721 /nfs/dbraw/zinc/23/87/21/586238721.db2.gz VDKQQCSMXHCRII-BPLDGKMQSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1CC=CCC1 ZINC000809635472 586510293 /nfs/dbraw/zinc/51/02/93/586510293.db2.gz XSVQVGFNNGIMKH-UHFFFAOYSA-N 2 2 216.328 2.585 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1CC=CCC1 ZINC000809635472 586510294 /nfs/dbraw/zinc/51/02/94/586510294.db2.gz XSVQVGFNNGIMKH-UHFFFAOYSA-N 2 2 216.328 2.585 20 0 BFADLP Cc1cc[nH+]cc1CCC[NH+]1CC(C(C)C)C1 ZINC000809656885 586511153 /nfs/dbraw/zinc/51/11/53/586511153.db2.gz NAXXOZIGNKJJOV-UHFFFAOYSA-N 2 2 232.371 2.910 20 0 BFADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1 ZINC000815553749 586687710 /nfs/dbraw/zinc/68/77/10/586687710.db2.gz JDSICGCGBWBNDF-GFCCVEGCSA-N 2 2 247.317 2.681 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@H+]1C[C@H](C)[C@H]1C ZINC000816646685 586748554 /nfs/dbraw/zinc/74/85/54/586748554.db2.gz HOCICMDHELZUMY-QWHCGFSZSA-N 2 2 218.344 2.663 20 0 BFADLP Cc1cc[nH+]cc1CCC[N@@H+]1C[C@H](C)[C@H]1C ZINC000816646685 586748556 /nfs/dbraw/zinc/74/85/56/586748556.db2.gz HOCICMDHELZUMY-QWHCGFSZSA-N 2 2 218.344 2.663 20 0 BFADLP C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000816649083 586751418 /nfs/dbraw/zinc/75/14/18/586751418.db2.gz SXNLPMJKLJIMIX-WDEREUQCSA-N 2 2 247.367 2.774 20 0 BFADLP C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(-n2cc[nH+]c2)cs1 ZINC000816649083 586751420 /nfs/dbraw/zinc/75/14/20/586751420.db2.gz SXNLPMJKLJIMIX-WDEREUQCSA-N 2 2 247.367 2.774 20 0 BFADLP Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000817894804 586833745 /nfs/dbraw/zinc/83/37/45/586833745.db2.gz OUEKPLYVXCJTEH-UTUOFQBUSA-N 2 2 238.400 2.848 20 0 BFADLP C[C@H]([NH2+]CC[NH3+])c1ccc(SC(F)F)cc1 ZINC000817934259 586843293 /nfs/dbraw/zinc/84/32/93/586843293.db2.gz FBEUVAWHRVVDKX-QMMMGPOBSA-N 2 2 246.326 2.611 20 0 BFADLP Cc1cc(F)ccc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000817940775 586845665 /nfs/dbraw/zinc/84/56/65/586845665.db2.gz KPBRBNFGCQPNMP-DGCLKSJQSA-N 2 2 236.334 2.537 20 0 BFADLP Cc1cc(F)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000817954584 586850240 /nfs/dbraw/zinc/85/02/40/586850240.db2.gz ZGPOVUCLCRSMQP-YPMHNXCESA-N 2 2 236.334 2.537 20 0 BFADLP Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817968693 586856385 /nfs/dbraw/zinc/85/63/85/586856385.db2.gz VWSMHSVTRMQSSO-UHOFOFEASA-N 2 2 244.382 2.570 20 0 BFADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccns1 ZINC000860059034 589077975 /nfs/dbraw/zinc/07/79/75/589077975.db2.gz RXKZJYXYZMFMTH-NSHDSACASA-N 2 2 241.404 2.526 20 0 BFADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C2)C1 ZINC000823813224 587240857 /nfs/dbraw/zinc/24/08/57/587240857.db2.gz XFTAKAHOSFFDAA-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C2)C1 ZINC000823813224 587240858 /nfs/dbraw/zinc/24/08/58/587240858.db2.gz XFTAKAHOSFFDAA-QLFBSQMISA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C2)C1 ZINC000823813223 587241095 /nfs/dbraw/zinc/24/10/95/587241095.db2.gz XFTAKAHOSFFDAA-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C2)C1 ZINC000823813223 587241096 /nfs/dbraw/zinc/24/10/96/587241096.db2.gz XFTAKAHOSFFDAA-KFWWJZLASA-N 2 2 238.419 2.885 20 0 BFADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000828515900 587447123 /nfs/dbraw/zinc/44/71/23/587447123.db2.gz LQQUSIQNDYDXIW-JYAVWHMHSA-N 2 2 232.371 2.957 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000834607497 587760530 /nfs/dbraw/zinc/76/05/30/587760530.db2.gz XWZNSQLNFQQRRG-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP CCC(C)(C)[C@@H](C)[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000834607497 587760531 /nfs/dbraw/zinc/76/05/31/587760531.db2.gz XWZNSQLNFQQRRG-CHWSQXEVSA-N 2 2 226.408 2.885 20 0 BFADLP C[C@@H]([NH2+]c1ccc(OCC[NH3+])cc1)C1CCC1 ZINC000841055866 587940709 /nfs/dbraw/zinc/94/07/09/587940709.db2.gz YQQHVGWJVVTMPA-LLVKDONJSA-N 2 2 234.343 2.625 20 0 BFADLP CC1(C)C[N@H+](C[C@@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000843119414 588082937 /nfs/dbraw/zinc/08/29/37/588082937.db2.gz NZHGXSLFODGAMF-AWEZNQCLSA-N 2 2 244.382 2.532 20 0 BFADLP CC1(C)C[N@@H+](C[C@@H]2CCC[NH2+]2)Cc2ccccc21 ZINC000843119414 588082940 /nfs/dbraw/zinc/08/29/40/588082940.db2.gz NZHGXSLFODGAMF-AWEZNQCLSA-N 2 2 244.382 2.532 20 0 BFADLP CC[C@](C)([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000844312177 588183618 /nfs/dbraw/zinc/18/36/18/588183618.db2.gz JFUIMLMNFPLCLY-CVEARBPZSA-N 2 2 246.398 2.996 20 0 BFADLP CC[C@](C)([NH2+]C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000844312177 588183619 /nfs/dbraw/zinc/18/36/19/588183619.db2.gz JFUIMLMNFPLCLY-CVEARBPZSA-N 2 2 246.398 2.996 20 0 BFADLP CC(C)=CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848575005 588398698 /nfs/dbraw/zinc/39/86/98/588398698.db2.gz KPZJURRTUTUYMU-UONOGXRCSA-N 2 2 222.376 2.559 20 0 BFADLP CC(C)=CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848575005 588398699 /nfs/dbraw/zinc/39/86/99/588398699.db2.gz KPZJURRTUTUYMU-UONOGXRCSA-N 2 2 222.376 2.559 20 0 BFADLP C[C@@H]([NH2+]CC[N@@H+]1CCC[C@@H]1C)C(C)(C)C(F)F ZINC000850438519 588546597 /nfs/dbraw/zinc/54/65/97/588546597.db2.gz GRJCXVDVAMLRJZ-WDEREUQCSA-N 2 2 248.361 2.740 20 0 BFADLP C[C@@H]([NH2+]CC[N@H+]1CCC[C@@H]1C)C(C)(C)C(F)F ZINC000850438519 588546599 /nfs/dbraw/zinc/54/65/99/588546599.db2.gz GRJCXVDVAMLRJZ-WDEREUQCSA-N 2 2 248.361 2.740 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C ZINC000850481980 588551545 /nfs/dbraw/zinc/55/15/45/588551545.db2.gz PIWPZQKSZFARHQ-RDBSUJKOSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C ZINC000850481980 588551547 /nfs/dbraw/zinc/55/15/47/588551547.db2.gz PIWPZQKSZFARHQ-RDBSUJKOSA-N 2 2 238.419 2.883 20 0 BFADLP CC(C)(C)[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000850495147 588552052 /nfs/dbraw/zinc/55/20/52/588552052.db2.gz XJEIGGXEAAMEDP-IHRRRGAJSA-N 2 2 236.403 2.637 20 0 BFADLP CC(C)(C)[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000850495147 588552054 /nfs/dbraw/zinc/55/20/54/588552054.db2.gz XJEIGGXEAAMEDP-IHRRRGAJSA-N 2 2 236.403 2.637 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000863543192 589297069 /nfs/dbraw/zinc/29/70/69/589297069.db2.gz LTGCWQALDYVBRO-ARFHVFGLSA-N 2 2 244.382 2.712 20 0 BFADLP CC(C)c1cccc(C[N@@H+](C)C[C@H](C)[NH3+])c1 ZINC000863568825 589300007 /nfs/dbraw/zinc/30/00/07/589300007.db2.gz OZXJIJSFBLVBPB-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC(C)c1cccc(C[N@H+](C)C[C@H](C)[NH3+])c1 ZINC000863568825 589300008 /nfs/dbraw/zinc/30/00/08/589300008.db2.gz OZXJIJSFBLVBPB-LBPRGKRZSA-N 2 2 220.360 2.589 20 0 BFADLP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)cs1 ZINC000863647156 589307006 /nfs/dbraw/zinc/30/70/06/589307006.db2.gz XVNHATSXEDIAJE-WDEREUQCSA-N 2 2 244.791 2.632 20 0 BFADLP Cc1cc(C)[nH+]c(NCc2cn(C3CC3)c[nH+]2)c1 ZINC000865507143 589442386 /nfs/dbraw/zinc/44/23/86/589442386.db2.gz ZWSHCTUBLMTKBP-UHFFFAOYSA-N 2 2 242.326 2.842 20 0 BFADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCCCC1CC1 ZINC000866540549 589499774 /nfs/dbraw/zinc/49/97/74/589499774.db2.gz QLDLHPHIUSMGDY-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCCCC1CC1 ZINC000866540549 589499776 /nfs/dbraw/zinc/49/97/76/589499776.db2.gz QLDLHPHIUSMGDY-DOMZBBRYSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@H+](CC[C@@H]1CC[NH2+]C1)c1cccc2cc[nH]c21 ZINC000866685773 589511667 /nfs/dbraw/zinc/51/16/67/589511667.db2.gz XRMCJQMNTOKQIK-LBPRGKRZSA-N 2 2 243.354 2.604 20 0 BFADLP C[N@@H+](CC[C@@H]1CC[NH2+]C1)c1cccc2cc[nH]c21 ZINC000866685773 589511668 /nfs/dbraw/zinc/51/16/68/589511668.db2.gz XRMCJQMNTOKQIK-LBPRGKRZSA-N 2 2 243.354 2.604 20 0 BFADLP CCc1cccc(C[N@@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866723060 589515269 /nfs/dbraw/zinc/51/52/69/589515269.db2.gz FVQRECPPTMROGA-HZPDHXFCSA-N 2 2 244.382 2.575 20 0 BFADLP CCc1cccc(C[N@H+]2CCC[C@H]3[NH2+]CC[C@H]32)c1 ZINC000866723060 589515271 /nfs/dbraw/zinc/51/52/71/589515271.db2.gz FVQRECPPTMROGA-HZPDHXFCSA-N 2 2 244.382 2.575 20 0 BFADLP C1=C[C@H](CCC[NH2+]Cc2c[nH+]c3n2CCC3)CC1 ZINC000873154280 589987362 /nfs/dbraw/zinc/98/73/62/589987362.db2.gz UMKANWCHNBWUBP-ZDUSSCGKSA-N 2 2 245.370 2.665 20 0 BFADLP Cc1ccc(C[NH2+][C@]23CCC[C@H]2[NH2+]CC3)c(C)c1 ZINC000873229007 590000875 /nfs/dbraw/zinc/00/08/75/590000875.db2.gz NLJHIMUPZMIFIX-CVEARBPZSA-N 2 2 244.382 2.678 20 0 BFADLP Cc1ccc(C[NH2+][C@@]23CCC[C@@H]2[NH2+]CC3)cc1F ZINC000873229561 590002107 /nfs/dbraw/zinc/00/21/07/590002107.db2.gz BXTXHBRFHBPLSL-LSDHHAIUSA-N 2 2 248.345 2.508 20 0 BFADLP Cc1ccc(F)cc1C[NH2+][C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230536 590002136 /nfs/dbraw/zinc/00/21/36/590002136.db2.gz SQAFUEHLKBBVTM-LSDHHAIUSA-N 2 2 248.345 2.508 20 0 BFADLP Cc1cc(C[NH2+][C@@]23CCC[C@H]2[NH2+]CC3)ccc1F ZINC000873230837 590003191 /nfs/dbraw/zinc/00/31/91/590003191.db2.gz YOFHGRFMLGAQQZ-HUUCEWRRSA-N 2 2 248.345 2.508 20 0 BFADLP C[C@@H]([NH2+]C[C@H]1CCC(C)(C)C[NH2+]1)c1ccccn1 ZINC000873238127 590005169 /nfs/dbraw/zinc/00/51/69/590005169.db2.gz XPQUSCRTPFEESI-CHWSQXEVSA-N 2 2 247.386 2.510 20 0 BFADLP CCCCC[C@@H](C)[NH2+]CC[NH+](CC)CC ZINC000020089758 590073441 /nfs/dbraw/zinc/07/34/41/590073441.db2.gz BSZMRHINHZRIIW-CYBMUJFWSA-N 2 2 214.397 2.887 20 0 BFADLP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CC[NH+](C)C)CC1 ZINC000877462117 590329057 /nfs/dbraw/zinc/32/90/57/590329057.db2.gz KQMOBWATSBKDIJ-ZIAGYGMSSA-N 2 2 224.392 2.663 20 0 BFADLP c1c[nH+]c(C2CC[NH+](CCCC3CC3)CC2)[nH]1 ZINC000878172657 590514779 /nfs/dbraw/zinc/51/47/79/590514779.db2.gz KMNRGZGUPRFULE-UHFFFAOYSA-N 2 2 233.359 2.779 20 0 BFADLP C=C/C=C/CC[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000878519517 590585404 /nfs/dbraw/zinc/58/54/04/590585404.db2.gz OTUUQXWBYOPWPS-ISZGNANSSA-N 2 2 245.370 2.732 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000878519517 590585405 /nfs/dbraw/zinc/58/54/05/590585405.db2.gz OTUUQXWBYOPWPS-ISZGNANSSA-N 2 2 245.370 2.732 20 0 BFADLP c1cc(O[C@@H]2CC[N@@H+](CCCC3CC3)C2)cc[nH+]1 ZINC000878528580 590587020 /nfs/dbraw/zinc/58/70/20/590587020.db2.gz PMRYQLXEHSYAKQ-OAHLLOKOSA-N 2 2 246.354 2.725 20 0 BFADLP c1cc(O[C@@H]2CC[N@H+](CCCC3CC3)C2)cc[nH+]1 ZINC000878528580 590587021 /nfs/dbraw/zinc/58/70/21/590587021.db2.gz PMRYQLXEHSYAKQ-OAHLLOKOSA-N 2 2 246.354 2.725 20 0 BFADLP CCC1(CC)CCC[N@@H+]1CCc1c[nH+]cn1C ZINC000880093617 590923744 /nfs/dbraw/zinc/92/37/44/590923744.db2.gz DGIZSGUCZUPHMP-UHFFFAOYSA-N 2 2 235.375 2.617 20 0 BFADLP CCC1(CC)CCC[N@H+]1CCc1c[nH+]cn1C ZINC000880093617 590923746 /nfs/dbraw/zinc/92/37/46/590923746.db2.gz DGIZSGUCZUPHMP-UHFFFAOYSA-N 2 2 235.375 2.617 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000880130274 590930525 /nfs/dbraw/zinc/93/05/25/590930525.db2.gz NZIGJEGDFIAIRH-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[NH+]1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000880130274 590930529 /nfs/dbraw/zinc/93/05/29/590930529.db2.gz NZIGJEGDFIAIRH-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[N@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880130274 590930533 /nfs/dbraw/zinc/93/05/33/590930533.db2.gz NZIGJEGDFIAIRH-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@H]1CCC[NH+]2C ZINC000880130274 590930537 /nfs/dbraw/zinc/93/05/37/590930537.db2.gz NZIGJEGDFIAIRH-HZPDHXFCSA-N 2 2 244.382 2.664 20 0 BFADLP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136497 590938070 /nfs/dbraw/zinc/93/80/70/590938070.db2.gz MSEDNMSYIRMLIP-VSVUCHCSSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C\CC[N@H+]1CC[C@@H]2[C@@H]1CCC[NH+]2C ZINC000880136497 590938072 /nfs/dbraw/zinc/93/80/72/590938072.db2.gz MSEDNMSYIRMLIP-VSVUCHCSSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000880136497 590938074 /nfs/dbraw/zinc/93/80/74/590938074.db2.gz MSEDNMSYIRMLIP-VSVUCHCSSA-N 2 2 222.376 2.511 20 0 BFADLP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880136497 590938076 /nfs/dbraw/zinc/93/80/76/590938076.db2.gz MSEDNMSYIRMLIP-VSVUCHCSSA-N 2 2 222.376 2.511 20 0 BFADLP C[N@@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CC(C)(C)C1 ZINC000880142660 590941162 /nfs/dbraw/zinc/94/11/62/590941162.db2.gz RRDLNBHRFXHZGA-KGLIPLIRSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@H+]1CCC[C@H]2[C@H]1CC[NH+]2CC1CC(C)(C)C1 ZINC000880142660 590941164 /nfs/dbraw/zinc/94/11/64/590941164.db2.gz RRDLNBHRFXHZGA-KGLIPLIRSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC(C)(C)C1 ZINC000880142660 590941166 /nfs/dbraw/zinc/94/11/66/590941166.db2.gz RRDLNBHRFXHZGA-KGLIPLIRSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@H]2[C@H]1CC[N@H+]2CC1CC(C)(C)C1 ZINC000880142660 590941168 /nfs/dbraw/zinc/94/11/68/590941168.db2.gz RRDLNBHRFXHZGA-KGLIPLIRSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC(C)(C)C1 ZINC000880142661 590941724 /nfs/dbraw/zinc/94/17/24/590941724.db2.gz RRDLNBHRFXHZGA-UONOGXRCSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CC(C)(C)C1 ZINC000880142661 590941726 /nfs/dbraw/zinc/94/17/26/590941726.db2.gz RRDLNBHRFXHZGA-UONOGXRCSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC(C)(C)C1 ZINC000880142661 590941728 /nfs/dbraw/zinc/94/17/28/590941728.db2.gz RRDLNBHRFXHZGA-UONOGXRCSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2[C@@H]1CC[N@H+]2CC1CC(C)(C)C1 ZINC000880142661 590941730 /nfs/dbraw/zinc/94/17/30/590941730.db2.gz RRDLNBHRFXHZGA-UONOGXRCSA-N 2 2 236.403 2.591 20 0 BFADLP c1[nH]c2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCC3(CC3)C1)C2 ZINC000883223295 591577301 /nfs/dbraw/zinc/57/73/01/591577301.db2.gz MFXCTWJTIZBDJY-RYUDHWBXSA-N 2 2 245.370 2.579 20 0 BFADLP c1[nH]c2c([nH+]1)C[C@@H]([NH2+][C@H]1CCCC3(CC3)C1)CC2 ZINC000883223295 591577305 /nfs/dbraw/zinc/57/73/05/591577305.db2.gz MFXCTWJTIZBDJY-RYUDHWBXSA-N 2 2 245.370 2.579 20 0 BFADLP Cc1cccn2c(C[NH2+]C[C@H]3C=CCC3)c[nH+]c12 ZINC000883238997 591583599 /nfs/dbraw/zinc/58/35/99/591583599.db2.gz SUAFYLKFURXJRG-ZDUSSCGKSA-N 2 2 241.338 2.699 20 0 BFADLP Cc1cc(N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c[nH+]c1C ZINC000883341948 591619858 /nfs/dbraw/zinc/61/98/58/591619858.db2.gz FLTHDYSGBVYXOV-XHDPSFHLSA-N 2 2 245.370 2.593 20 0 BFADLP Cc1cc(N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c[nH+]c1C ZINC000883341948 591619862 /nfs/dbraw/zinc/61/98/62/591619862.db2.gz FLTHDYSGBVYXOV-XHDPSFHLSA-N 2 2 245.370 2.593 20 0 BFADLP Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c[nH+]c1C ZINC000883341941 591620220 /nfs/dbraw/zinc/62/02/20/591620220.db2.gz FKKORTSQIADQAW-DZGCQCFKSA-N 2 2 245.370 2.737 20 0 BFADLP Cc1cc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c[nH+]c1C ZINC000883341941 591620222 /nfs/dbraw/zinc/62/02/22/591620222.db2.gz FKKORTSQIADQAW-DZGCQCFKSA-N 2 2 245.370 2.737 20 0 BFADLP Cc1cc(N[C@H](C)C2CC[NH+](C)CC2)c[nH+]c1C ZINC000883342204 591622445 /nfs/dbraw/zinc/62/24/45/591622445.db2.gz OEYQMGIURPHLDO-CYBMUJFWSA-N 2 2 247.386 2.841 20 0 BFADLP CC[N@@H+]1CC[C@H]1C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000883356524 591627260 /nfs/dbraw/zinc/62/72/60/591627260.db2.gz QGSKALVFNUIHMI-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP CC[N@H+]1CC[C@H]1C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000883356524 591627261 /nfs/dbraw/zinc/62/72/61/591627261.db2.gz QGSKALVFNUIHMI-ZBFHGGJFSA-N 2 2 246.398 2.610 20 0 BFADLP C=C/C=C/CC[N@@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000883434480 591664249 /nfs/dbraw/zinc/66/42/49/591664249.db2.gz SJKWVXACZFYKGU-QDLOVBKTSA-N 2 2 242.366 2.677 20 0 BFADLP C=C/C=C/CC[N@H+]1CCc2ccccc2[C@H]1C[NH3+] ZINC000883434480 591664250 /nfs/dbraw/zinc/66/42/50/591664250.db2.gz SJKWVXACZFYKGU-QDLOVBKTSA-N 2 2 242.366 2.677 20 0 BFADLP CCCCCC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000132001673 591683224 /nfs/dbraw/zinc/68/32/24/591683224.db2.gz CARCMOFONRUMFR-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP CCCCCC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000132001673 591683226 /nfs/dbraw/zinc/68/32/26/591683226.db2.gz CARCMOFONRUMFR-STQMWFEESA-N 2 2 224.392 2.782 20 0 BFADLP CCC1([NH+]2CCC2)CCN(c2cccc[nH+]2)CC1 ZINC000884718640 592014678 /nfs/dbraw/zinc/01/46/78/592014678.db2.gz LLHWATDMZYCQLS-UHFFFAOYSA-N 2 2 245.370 2.536 20 0 BFADLP CC[N@@H+]1CC[C@@H]1C[NH2+]C/C=C/c1cccc(F)c1 ZINC000886188153 592172749 /nfs/dbraw/zinc/17/27/49/592172749.db2.gz LZBZQQFROMBGMO-CSPWOOARSA-N 2 2 248.345 2.523 20 0 BFADLP CC[N@H+]1CC[C@@H]1C[NH2+]C/C=C/c1cccc(F)c1 ZINC000886188153 592172750 /nfs/dbraw/zinc/17/27/50/592172750.db2.gz LZBZQQFROMBGMO-CSPWOOARSA-N 2 2 248.345 2.523 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CCC2)C[N@@H+]1C1CC1 ZINC000886824825 592347394 /nfs/dbraw/zinc/34/73/94/592347394.db2.gz HOFMTEVDMMAZSY-WCQYABFASA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]1C[C@@H]([NH2+]C2(C3CC3)CCC2)C[N@H+]1C1CC1 ZINC000886824825 592347398 /nfs/dbraw/zinc/34/73/98/592347398.db2.gz HOFMTEVDMMAZSY-WCQYABFASA-N 2 2 234.387 2.534 20 0 BFADLP C[C@H]([NH3+])[C@H]([NH2+]CC1=CCCC1)c1ccccc1 ZINC000925704183 634384287 /nfs/dbraw/zinc/38/42/87/634384287.db2.gz BVZHUFSXOZJFTG-WFASDCNBSA-N 2 2 230.355 2.775 20 0 BFADLP C[C@@H]([NH3+])[C@H]([NH2+]CC1=CCCC1)c1ccccc1 ZINC000925704180 634384601 /nfs/dbraw/zinc/38/46/01/634384601.db2.gz BVZHUFSXOZJFTG-DOMZBBRYSA-N 2 2 230.355 2.775 20 0 BFADLP C[C@@H]([NH3+])[C@@H]([NH2+]CCc1ccoc1)c1ccccc1 ZINC000925705310 634387676 /nfs/dbraw/zinc/38/76/76/634387676.db2.gz ADOBIYMZDKBYTF-IUODEOHRSA-N 2 2 244.338 2.500 20 0 BFADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257696459 634469850 /nfs/dbraw/zinc/46/98/50/634469850.db2.gz KGMBAQHOJOCBDI-ZBFHGGJFSA-N 2 2 244.382 2.966 20 0 BFADLP C[C@H](c1ccccc1)[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC000257696459 634469851 /nfs/dbraw/zinc/46/98/51/634469851.db2.gz KGMBAQHOJOCBDI-ZBFHGGJFSA-N 2 2 244.382 2.966 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000257704546 634472058 /nfs/dbraw/zinc/47/20/58/634472058.db2.gz QYKDACPKJHWUNN-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2CC[C@]3(CCC[NH2+]3)C2)c1 ZINC000257704546 634472066 /nfs/dbraw/zinc/47/20/66/634472066.db2.gz QYKDACPKJHWUNN-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP CC[NH+](CC)CC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000233459018 635537025 /nfs/dbraw/zinc/53/70/25/635537025.db2.gz BOEIURBBKKESMN-CHWSQXEVSA-N 2 2 244.448 2.592 20 0 BFADLP C1[C@H]([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)C12CCCC2 ZINC000926285024 631544703 /nfs/dbraw/zinc/54/47/03/631544703.db2.gz OGGOPRQRNCZERK-KKUMJFAQSA-N 2 2 248.414 2.926 20 0 BFADLP C1[C@H]([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)C12CCCC2 ZINC000926285024 631544706 /nfs/dbraw/zinc/54/47/06/631544706.db2.gz OGGOPRQRNCZERK-KKUMJFAQSA-N 2 2 248.414 2.926 20 0 BFADLP C[C@@H]([NH2+]CC[NH2+]C(C)(C)C)c1ccccc1 ZINC000066184160 632852629 /nfs/dbraw/zinc/85/26/29/632852629.db2.gz SCHUMJMBKFVOFP-GFCCVEGCSA-N 2 2 220.360 2.725 20 0 BFADLP CC1CC(C[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)C1 ZINC000926735898 632922510 /nfs/dbraw/zinc/92/25/10/632922510.db2.gz CDLGCVDLNKOANP-NEXFUWMNSA-N 2 2 236.403 2.639 20 0 BFADLP CC1CC(C[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)C1 ZINC000926735898 632922518 /nfs/dbraw/zinc/92/25/18/632922518.db2.gz CDLGCVDLNKOANP-NEXFUWMNSA-N 2 2 236.403 2.639 20 0 BFADLP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)o1 ZINC000163321566 633054222 /nfs/dbraw/zinc/05/42/22/633054222.db2.gz VHZVLDHNBKXSGK-UHFFFAOYSA-N 2 2 248.370 2.613 20 0 BFADLP C[C@@H](C[NH2+][C@@H](C)C(C)(C)C)[NH+]1CCCCC1 ZINC000309725288 633232601 /nfs/dbraw/zinc/23/26/01/633232601.db2.gz CYJXOUQGONYUBM-STQMWFEESA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)N(c1cccc[nH+]1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000895110149 636060792 /nfs/dbraw/zinc/06/07/92/636060792.db2.gz BGYPCBQXQXKUTF-JOCQHMNTSA-N 2 2 233.359 2.566 20 0 BFADLP C1CC1C1([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CCC1 ZINC000926873505 633758795 /nfs/dbraw/zinc/75/87/95/633758795.db2.gz GGLMNEJWCZLLSZ-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP C1CC1C1([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CCC1 ZINC000926873505 633758799 /nfs/dbraw/zinc/75/87/99/633758799.db2.gz GGLMNEJWCZLLSZ-GJZGRUSLSA-N 2 2 248.414 2.926 20 0 BFADLP CC(C)C[C@@H](C[NH2+]C[C@@H]1CC=CCC1)[NH+](C)C ZINC000020201792 633810808 /nfs/dbraw/zinc/81/08/08/633810808.db2.gz QSBWKEPCVHSBTF-CABCVRRESA-N 2 2 238.419 2.909 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)[NH3+] ZINC000309464755 633923607 /nfs/dbraw/zinc/92/36/07/633923607.db2.gz VNCMAFJJNUCFFE-MFKMUULPSA-N 2 2 224.323 2.556 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](C)[NH3+] ZINC000309464755 633923614 /nfs/dbraw/zinc/92/36/14/633923614.db2.gz VNCMAFJJNUCFFE-MFKMUULPSA-N 2 2 224.323 2.556 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883188872 636179402 /nfs/dbraw/zinc/17/94/02/636179402.db2.gz SCAIYRWEIGKMOH-HUUCEWRRSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000883188872 636179424 /nfs/dbraw/zinc/17/94/24/636179424.db2.gz SCAIYRWEIGKMOH-HUUCEWRRSA-N 2 2 248.414 2.783 20 0 BFADLP CC[N@H+](CC[NH2+][C@H]1CCCC[C@@H]1C)C1CC1 ZINC000053377143 636704393 /nfs/dbraw/zinc/70/43/93/636704393.db2.gz KMGJPLSQCISNQH-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@H]1CCCC[C@@H]1C)C1CC1 ZINC000053377143 636704399 /nfs/dbraw/zinc/70/43/99/636704399.db2.gz KMGJPLSQCISNQH-JSGCOSHPSA-N 2 2 224.392 2.639 20 0 BFADLP c1cn(CC[NH2+][C@@H]2CC[C@H]3CCCC[C@H]3C2)c[nH+]1 ZINC000250262134 636752307 /nfs/dbraw/zinc/75/23/07/636752307.db2.gz XSMHPGOFWXJKLP-QLFBSQMISA-N 2 2 247.386 2.832 20 0 BFADLP C([NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@]12C[C@H]1CCC2 ZINC000927121286 637037098 /nfs/dbraw/zinc/03/70/98/637037098.db2.gz KZHVVWYIAKUQOI-WCVJEAGWSA-N 2 2 248.414 2.783 20 0 BFADLP C([NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@]12C[C@H]1CCC2 ZINC000927121286 637037100 /nfs/dbraw/zinc/03/71/00/637037100.db2.gz KZHVVWYIAKUQOI-WCVJEAGWSA-N 2 2 248.414 2.783 20 0 BFADLP c1cn(CCCC[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)c[nH+]1 ZINC000924730743 637039057 /nfs/dbraw/zinc/03/90/57/637039057.db2.gz GQBLUFZBLGASJY-RRFJBIMHSA-N 2 2 245.370 2.608 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000924827653 639299260 /nfs/dbraw/zinc/29/92/60/639299260.db2.gz JRLBSTDCJCKXOS-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000924827653 639299265 /nfs/dbraw/zinc/29/92/65/639299265.db2.gz JRLBSTDCJCKXOS-SNPRPXQTSA-N 2 2 236.403 2.639 20 0 BFADLP C[N@@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CC2(CCC2)C1 ZINC000931718604 640334398 /nfs/dbraw/zinc/33/43/98/640334398.db2.gz CRGKTDNZIPYLCH-LSDHHAIUSA-N 2 2 248.414 2.735 20 0 BFADLP C[N@H+]1CC[C@@H]2CC[C@H](C1)[NH+]2CC1CC2(CCC2)C1 ZINC000931718604 640334405 /nfs/dbraw/zinc/33/44/05/640334405.db2.gz CRGKTDNZIPYLCH-LSDHHAIUSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@@H+]2CC1CC2(CCC2)C1 ZINC000931718604 640334414 /nfs/dbraw/zinc/33/44/14/640334414.db2.gz CRGKTDNZIPYLCH-LSDHHAIUSA-N 2 2 248.414 2.735 20 0 BFADLP C[NH+]1CC[C@@H]2CC[C@H](C1)[N@H+]2CC1CC2(CCC2)C1 ZINC000931718604 640334424 /nfs/dbraw/zinc/33/44/24/640334424.db2.gz CRGKTDNZIPYLCH-LSDHHAIUSA-N 2 2 248.414 2.735 20 0 BFADLP C[C@@H](C[NH2+][C@H]1CC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000227199608 640821303 /nfs/dbraw/zinc/82/13/03/640821303.db2.gz WFZRZJMJRQEWSN-RDBSUJKOSA-N 2 2 224.392 2.639 20 0 BFADLP C[NH2+]C[C@H]1CCCC[N@@H+]1Cc1ccc(C)cc1 ZINC000042407801 641552541 /nfs/dbraw/zinc/55/25/41/641552541.db2.gz RLXCXWSBKNXFAS-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP C[NH2+]C[C@H]1CCCC[N@H+]1Cc1ccc(C)cc1 ZINC000042407801 641552547 /nfs/dbraw/zinc/55/25/47/641552547.db2.gz RLXCXWSBKNXFAS-OAHLLOKOSA-N 2 2 232.371 2.569 20 0 BFADLP C[N@@H+](C/C=C/Cl)CC[C@H]1CCCC[NH+]1C ZINC000075860744 641772774 /nfs/dbraw/zinc/77/27/74/641772774.db2.gz LAWYCDHRZPAYLW-FZKGZDJFSA-N 2 2 230.783 2.545 20 0 BFADLP C[N@H+](C/C=C/Cl)CC[C@H]1CCCC[NH+]1C ZINC000075860744 641772779 /nfs/dbraw/zinc/77/27/79/641772779.db2.gz LAWYCDHRZPAYLW-FZKGZDJFSA-N 2 2 230.783 2.545 20 0 BFADLP C[NH+](C/C=C/Cl)CC[C@H]1CCCC[N@@H+]1C ZINC000075860744 641772786 /nfs/dbraw/zinc/77/27/86/641772786.db2.gz LAWYCDHRZPAYLW-FZKGZDJFSA-N 2 2 230.783 2.545 20 0 BFADLP C[NH+](C/C=C/Cl)CC[C@H]1CCCC[N@H+]1C ZINC000075860744 641772789 /nfs/dbraw/zinc/77/27/89/641772789.db2.gz LAWYCDHRZPAYLW-FZKGZDJFSA-N 2 2 230.783 2.545 20 0 BFADLP CC1CC(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929991358 642098383 /nfs/dbraw/zinc/09/83/83/642098383.db2.gz GARISHKDQXCFFA-BPCQOVAHSA-N 2 2 233.359 2.635 20 0 BFADLP CC1CC(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)C1 ZINC000929991358 642098387 /nfs/dbraw/zinc/09/83/87/642098387.db2.gz GARISHKDQXCFFA-BPCQOVAHSA-N 2 2 233.359 2.635 20 0 BFADLP C[C@@H](C[NH+]1CCCCC1)[NH2+]C1CCCCC1 ZINC000035259027 643103746 /nfs/dbraw/zinc/10/37/46/643103746.db2.gz VOMXFPXJNMDKJY-ZDUSSCGKSA-N 2 2 224.392 2.783 20 0 BFADLP C[C@@H](C[NH2+]C1CCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000049938021 643559866 /nfs/dbraw/zinc/55/98/66/643559866.db2.gz WPAIYBKLCZQGSY-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]C1CCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000049938021 643559871 /nfs/dbraw/zinc/55/98/71/643559871.db2.gz WPAIYBKLCZQGSY-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[NH+]1CCCCC1 ZINC000245225068 644517388 /nfs/dbraw/zinc/51/73/88/644517388.db2.gz LZDWKALWICXCMU-IHRRRGAJSA-N 2 2 226.408 2.885 20 0 BFADLP CC(C)(F)CC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926703703 645369265 /nfs/dbraw/zinc/36/92/65/645369265.db2.gz VRBLZXSHSAVRAY-CHWSQXEVSA-N 2 2 242.382 2.731 20 0 BFADLP CC(C)(F)CC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926703703 645369272 /nfs/dbraw/zinc/36/92/72/645369272.db2.gz VRBLZXSHSAVRAY-CHWSQXEVSA-N 2 2 242.382 2.731 20 0 BFADLP CC(C)(F)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926703710 645369420 /nfs/dbraw/zinc/36/94/20/645369420.db2.gz VRBLZXSHSAVRAY-STQMWFEESA-N 2 2 242.382 2.731 20 0 BFADLP CC(C)(F)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926703710 645369428 /nfs/dbraw/zinc/36/94/28/645369428.db2.gz VRBLZXSHSAVRAY-STQMWFEESA-N 2 2 242.382 2.731 20 0 BFADLP CC(C)CC[NH2+][C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848927027 645443678 /nfs/dbraw/zinc/44/36/78/645443678.db2.gz AHYJWPNOMAQUOI-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CC(C)CC[NH2+][C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000848927027 645443682 /nfs/dbraw/zinc/44/36/82/645443682.db2.gz AHYJWPNOMAQUOI-UONOGXRCSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000925489974 645535358 /nfs/dbraw/zinc/53/53/58/645535358.db2.gz DBQCHTGZIIRGJE-LSDHHAIUSA-N 2 2 244.382 2.794 20 0 BFADLP CCC1(C[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000925499178 645936901 /nfs/dbraw/zinc/93/69/01/645936901.db2.gz WOPLRVPTOHFUQK-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CCC1(C[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000925499178 645936910 /nfs/dbraw/zinc/93/69/10/645936910.db2.gz WOPLRVPTOHFUQK-UONOGXRCSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000924558723 646067787 /nfs/dbraw/zinc/06/77/87/646067787.db2.gz DJBQVNFKQKOSPG-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+]C1CC2(C1)CCCC2 ZINC000924558723 646067793 /nfs/dbraw/zinc/06/77/93/646067793.db2.gz DJBQVNFKQKOSPG-AWEZNQCLSA-N 2 2 236.403 2.783 20 0 BFADLP Cc1cccc2c1[C@@H]([NH2+]C[C@@H](C)[NH+](C)C)CC2 ZINC000924957063 646141311 /nfs/dbraw/zinc/14/13/11/646141311.db2.gz JUESONIOJIFADN-OCCSQVGLSA-N 2 2 232.371 2.522 20 0 BFADLP C(C1CC1)[N@@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925017580 646157801 /nfs/dbraw/zinc/15/78/01/646157801.db2.gz SPNZFLGSJUQIAG-AWEZNQCLSA-N 2 2 248.414 2.783 20 0 BFADLP C(C1CC1)[N@H+]1CC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000925017580 646157807 /nfs/dbraw/zinc/15/78/07/646157807.db2.gz SPNZFLGSJUQIAG-AWEZNQCLSA-N 2 2 248.414 2.783 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+]C1CC2(C1)CCCC2 ZINC000925177733 646199696 /nfs/dbraw/zinc/19/96/96/646199696.db2.gz PTACRCQYSAKNTH-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+]C1CC2(C1)CCCC2 ZINC000925177733 646199698 /nfs/dbraw/zinc/19/96/98/646199698.db2.gz PTACRCQYSAKNTH-CYBMUJFWSA-N 2 2 236.403 2.783 20 0 BFADLP C1=CC[C@H]([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000925436684 646281830 /nfs/dbraw/zinc/28/18/30/646281830.db2.gz GGONEYFTJYYVPT-ZNMIVQPWSA-N 2 2 234.387 2.702 20 0 BFADLP C1=CC[C@H]([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000925436684 646281833 /nfs/dbraw/zinc/28/18/33/646281833.db2.gz GGONEYFTJYYVPT-ZNMIVQPWSA-N 2 2 234.387 2.702 20 0 BFADLP C(CC1CCC1)[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000925514902 646311617 /nfs/dbraw/zinc/31/16/17/646311617.db2.gz GXVRIIWAXMYWDO-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCC1)[NH2+][C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000925514902 646311621 /nfs/dbraw/zinc/31/16/21/646311621.db2.gz GXVRIIWAXMYWDO-HUUCEWRRSA-N 2 2 236.403 2.783 20 0 BFADLP C[C@H]([NH3+])[C@H]([NH2+]CCc1ccco1)c1ccccc1 ZINC000925610605 646360102 /nfs/dbraw/zinc/36/01/02/646360102.db2.gz HWEUMWWNAVFFEZ-WFASDCNBSA-N 2 2 244.338 2.500 20 0 BFADLP C[C@H]([NH3+])[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccccc1 ZINC000925651526 646392791 /nfs/dbraw/zinc/39/27/91/646392791.db2.gz FDLUWFSIEJMNCA-NWANDNLSSA-N 2 2 244.382 2.997 20 0 BFADLP Cc1scc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)c1C ZINC000925723637 646447917 /nfs/dbraw/zinc/44/79/17/646447917.db2.gz CAKRYGWCYBUMKQ-GFCCVEGCSA-N 2 2 238.400 2.595 20 0 BFADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1C[NH2+]C[C@H]1C ZINC000925783796 646479558 /nfs/dbraw/zinc/47/95/58/646479558.db2.gz OUZMBJXBNUTITA-MYZSUADSSA-N 2 2 244.382 2.741 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000925786025 646480755 /nfs/dbraw/zinc/48/07/55/646480755.db2.gz NCJGEYWXOONHJQ-VNHYZAJKSA-N 2 2 232.371 2.562 20 0 BFADLP CCc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)s1 ZINC000925785622 646481529 /nfs/dbraw/zinc/48/15/29/646481529.db2.gz LQWAKRRZCOOEHD-JFGNBEQYSA-N 2 2 238.400 2.569 20 0 BFADLP Cc1cc([C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2C)c(C)s1 ZINC000925786357 646482654 /nfs/dbraw/zinc/48/26/54/646482654.db2.gz OBMBMDPNXRTTSH-ZDSQKVDBSA-N 2 2 238.400 2.623 20 0 BFADLP CC(C)=CCC[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000926265621 646609279 /nfs/dbraw/zinc/60/92/79/646609279.db2.gz MZHXNKAYQUFUSN-CABCVRRESA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)=CCC[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926265621 646609275 /nfs/dbraw/zinc/60/92/75/646609275.db2.gz MZHXNKAYQUFUSN-CABCVRRESA-N 2 2 236.403 2.949 20 0 BFADLP CC(C)C1([NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926489420 646659884 /nfs/dbraw/zinc/65/98/84/646659884.db2.gz ICJYRZHKWQXCBE-KGLIPLIRSA-N 2 2 236.403 2.782 20 0 BFADLP CC(C)C1([NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926489420 646659889 /nfs/dbraw/zinc/65/98/89/646659889.db2.gz ICJYRZHKWQXCBE-KGLIPLIRSA-N 2 2 236.403 2.782 20 0 BFADLP CCC1([NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000926508378 646667704 /nfs/dbraw/zinc/66/77/04/646667704.db2.gz GHGLFHZWBJIDMU-STQMWFEESA-N 2 2 222.376 2.536 20 0 BFADLP CCC1([NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)CC1 ZINC000926508378 646667705 /nfs/dbraw/zinc/66/77/05/646667705.db2.gz GHGLFHZWBJIDMU-STQMWFEESA-N 2 2 222.376 2.536 20 0 BFADLP CCCC[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156760 712549798 /nfs/dbraw/zinc/54/97/98/712549798.db2.gz FGNBNWFYAZKNAC-GFCCVEGCSA-N 2 2 223.364 2.688 20 0 BFADLP CC(C)[C@@H](C)[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156527 712549851 /nfs/dbraw/zinc/54/98/51/712549851.db2.gz IUTAQMTXXMAYCC-OLZOCXBDSA-N 2 2 237.391 2.932 20 0 BFADLP C[C@H](C[NH2+]CC[N@@H+]1CCC[C@H]1C)C(C)(C)C ZINC000381257673 710613479 /nfs/dbraw/zinc/61/34/79/710613479.db2.gz RCHXVWHMTNHKIQ-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP C[C@H](C[NH2+]CC[N@H+]1CCC[C@H]1C)C(C)(C)C ZINC000381257673 710613481 /nfs/dbraw/zinc/61/34/81/710613481.db2.gz RCHXVWHMTNHKIQ-CHWSQXEVSA-N 2 2 226.408 2.743 20 0 BFADLP CC[N@H+](CC[NH2+][C@@H]1CC2CCC1CC2)C1CC1 ZINC000382178346 710806277 /nfs/dbraw/zinc/80/62/77/710806277.db2.gz XJPPIGKCKRBSQR-SSDMNJCBSA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@@H+](CC[NH2+][C@@H]1CC2CCC1CC2)C1CC1 ZINC000382178346 710806280 /nfs/dbraw/zinc/80/62/80/710806280.db2.gz XJPPIGKCKRBSQR-SSDMNJCBSA-N 2 2 236.403 2.639 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CCCC1)[N@H+](C)C1CC1 ZINC000393793364 711174486 /nfs/dbraw/zinc/17/44/86/711174486.db2.gz GAWSCIPQMXFASF-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](C[NH2+]CC1(C)CCCC1)[N@@H+](C)C1CC1 ZINC000393793364 711174489 /nfs/dbraw/zinc/17/44/89/711174489.db2.gz GAWSCIPQMXFASF-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CCCC1)[N@H+](C)C1CC1 ZINC000393793366 711175211 /nfs/dbraw/zinc/17/52/11/711175211.db2.gz GAWSCIPQMXFASF-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H](C[NH2+]CC1(C)CCCC1)[N@@H+](C)C1CC1 ZINC000393793366 711175212 /nfs/dbraw/zinc/17/52/12/711175212.db2.gz GAWSCIPQMXFASF-LBPRGKRZSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000381455535 710637746 /nfs/dbraw/zinc/63/77/46/710637746.db2.gz JGURZIJFMCGEMH-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H](CCC1CC1)[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000381455535 710637749 /nfs/dbraw/zinc/63/77/49/710637749.db2.gz JGURZIJFMCGEMH-OLZOCXBDSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723483656 711512703 /nfs/dbraw/zinc/51/27/03/711512703.db2.gz ICXFGQCZNGVISC-HONMWMINSA-N 2 2 236.334 2.556 20 0 BFADLP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000723483656 711512706 /nfs/dbraw/zinc/51/27/06/711512706.db2.gz ICXFGQCZNGVISC-HONMWMINSA-N 2 2 236.334 2.556 20 0 BFADLP Cc1[nH]c(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)c(C)[nH+]1 ZINC000724679516 711607829 /nfs/dbraw/zinc/60/78/29/711607829.db2.gz VUUSABWSUFXCRL-MSRIBSCDSA-N 2 2 235.375 2.941 20 0 BFADLP Cc1ccc(C[N@@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1C ZINC000257661461 711724400 /nfs/dbraw/zinc/72/44/00/711724400.db2.gz GKDRSSGJRAYODN-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C[N@H+]2CC[C@@]3(CCC[NH2+]3)C2)cc1C ZINC000257661461 711724403 /nfs/dbraw/zinc/72/44/03/711724403.db2.gz GKDRSSGJRAYODN-INIZCTEOSA-N 2 2 244.382 2.631 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@@H+]1C1CC1 ZINC000712631321 712439162 /nfs/dbraw/zinc/43/91/62/712439162.db2.gz QHCDCVIZZJLAGQ-UYHMYPTGSA-N 2 2 248.414 2.637 20 0 BFADLP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2C[C@H]2C2CC2)C[N@H+]1C1CC1 ZINC000712631321 712439163 /nfs/dbraw/zinc/43/91/63/712439163.db2.gz QHCDCVIZZJLAGQ-UYHMYPTGSA-N 2 2 248.414 2.637 20 0 BFADLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037021645 712529382 /nfs/dbraw/zinc/52/93/82/712529382.db2.gz BRLULZSYBWGACR-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037021645 712529383 /nfs/dbraw/zinc/52/93/83/712529383.db2.gz BRLULZSYBWGACR-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CCC[C@H](C)C[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000037153207 712547682 /nfs/dbraw/zinc/54/76/82/712547682.db2.gz GFGDHMLGWAPZLI-KBPBESRZSA-N 2 2 226.408 2.887 20 0 BFADLP CC[C@@H](C)C[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000037156092 712549738 /nfs/dbraw/zinc/54/97/38/712549738.db2.gz ZCEQYOAJNQYANJ-OLZOCXBDSA-N 2 2 237.391 2.934 20 0 BFADLP CC[C@@H]([NH2+]C[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000038029029 712800294 /nfs/dbraw/zinc/80/02/94/712800294.db2.gz WVLQXVKJRKTEGY-ZIAGYGMSSA-N 2 2 226.408 2.885 20 0 BFADLP Cc1cccc([C@H](C)[N@@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000720770047 712864529 /nfs/dbraw/zinc/86/45/29/712864529.db2.gz RKZBZPAXMMZKCA-JSGCOSHPSA-N 2 2 232.371 2.725 20 0 BFADLP Cc1cccc([C@H](C)[N@H+]2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000720770047 712864531 /nfs/dbraw/zinc/86/45/31/712864531.db2.gz RKZBZPAXMMZKCA-JSGCOSHPSA-N 2 2 232.371 2.725 20 0 BFADLP Cc1sccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC001237964308 966703992 /nfs/dbraw/zinc/70/39/92/966703992.db2.gz JHIYZUFIRJRHCU-UHFFFAOYSA-N 2 2 238.400 2.583 20 0 BFADLP Cc1sccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC001237964308 966704004 /nfs/dbraw/zinc/70/40/04/966704004.db2.gz JHIYZUFIRJRHCU-UHFFFAOYSA-N 2 2 238.400 2.583 20 0 BFADLP CC[N@H+](CCC[NH+](C)C)Cc1cc(C)c(C)o1 ZINC001204539885 967041396 /nfs/dbraw/zinc/04/13/96/967041396.db2.gz SDDTVEOICYOVEB-UHFFFAOYSA-N 2 2 238.375 2.670 20 0 BFADLP CC[N@@H+](CCC[NH+](C)C)Cc1cc(C)c(C)o1 ZINC001204539885 967041406 /nfs/dbraw/zinc/04/14/06/967041406.db2.gz SDDTVEOICYOVEB-UHFFFAOYSA-N 2 2 238.375 2.670 20 0 BFADLP CC(C)[N@H+](CC1CC1)C1CC[NH+](C2CC2)CC1 ZINC001256076402 970648721 /nfs/dbraw/zinc/64/87/21/970648721.db2.gz FZRLBRBWMKJFSW-UHFFFAOYSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)[N@@H+](CC1CC1)C1CC[NH+](C2CC2)CC1 ZINC001256076402 970648731 /nfs/dbraw/zinc/64/87/31/970648731.db2.gz FZRLBRBWMKJFSW-UHFFFAOYSA-N 2 2 236.403 2.734 20 0 BFADLP CC(C)c1cccc(C[N@@H+](CC[NH3+])C(C)C)c1 ZINC001235947693 979219499 /nfs/dbraw/zinc/21/94/99/979219499.db2.gz OIEZFAGUZZJVIV-UHFFFAOYSA-N 2 2 234.387 2.979 20 0 BFADLP CC(C)c1cccc(C[N@H+](CC[NH3+])C(C)C)c1 ZINC001235947693 979219506 /nfs/dbraw/zinc/21/95/06/979219506.db2.gz OIEZFAGUZZJVIV-UHFFFAOYSA-N 2 2 234.387 2.979 20 0 BFADLP Cc1ccc(Cl)cc1C[N@@H+](CC[NH3+])C(C)C ZINC001235947316 979220221 /nfs/dbraw/zinc/22/02/21/979220221.db2.gz JUVLQTBXABCCRN-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1ccc(Cl)cc1C[N@H+](CC[NH3+])C(C)C ZINC001235947316 979220230 /nfs/dbraw/zinc/22/02/30/979220230.db2.gz JUVLQTBXABCCRN-UHFFFAOYSA-N 2 2 240.778 2.818 20 0 BFADLP Cc1csc(C[NH+]2CCC([NH+](C)C)CC2)c1 ZINC001137152207 983980282 /nfs/dbraw/zinc/98/02/82/983980282.db2.gz KHLMGSLEPSYVRT-UHFFFAOYSA-N 2 2 238.400 2.583 20 0 BFADLP CCCCC(CCCC)[N@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246916583 973470196 /nfs/dbraw/zinc/47/01/96/973470196.db2.gz IOWWRMUNABEQQN-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@@H]1C[C@H](F)C[N@@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256570140 970866735 /nfs/dbraw/zinc/86/67/35/970866735.db2.gz ZDNMMXJZQSIAMC-NEPJUHHUSA-N 2 2 242.382 2.682 20 0 BFADLP C[C@@H]1C[C@H](F)C[N@H+]1C1CC[NH+](C(C)(C)C)CC1 ZINC001256570140 970866740 /nfs/dbraw/zinc/86/67/40/970866740.db2.gz ZDNMMXJZQSIAMC-NEPJUHHUSA-N 2 2 242.382 2.682 20 0 BFADLP CCCC(CCC)n1cc[nH+]c1CC[NH3+] ZINC001257328513 971231578 /nfs/dbraw/zinc/23/15/78/971231578.db2.gz CMEZRPSXBGCRCU-UHFFFAOYSA-N 2 2 209.337 2.526 20 0 BFADLP CCCC[C@@H](CC)[N@H+](C)C1CC[NH+](C)CC1 ZINC001257417455 971310771 /nfs/dbraw/zinc/31/07/71/971310771.db2.gz CZOUZRSZMJWAIG-CYBMUJFWSA-N 2 2 226.408 2.981 20 0 BFADLP CCCC[C@@H](CC)[N@@H+](C)C1CC[NH+](C)CC1 ZINC001257417455 971310777 /nfs/dbraw/zinc/31/07/77/971310777.db2.gz CZOUZRSZMJWAIG-CYBMUJFWSA-N 2 2 226.408 2.981 20 0 BFADLP CC(C)(C)c1ccc(C[N@@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405878890 971314996 /nfs/dbraw/zinc/31/49/96/971314996.db2.gz KJSIZQWMUPFSMK-INIZCTEOSA-N 2 2 246.398 2.907 20 0 BFADLP CC(C)(C)c1ccc(C[N@H+]2CC[C@](C)([NH3+])C2)cc1 ZINC000405878890 971315001 /nfs/dbraw/zinc/31/50/01/971315001.db2.gz KJSIZQWMUPFSMK-INIZCTEOSA-N 2 2 246.398 2.907 20 0 BFADLP CC[C@@H](C)n1c[nH+]cc1-c1ccc(C[NH3+])cc1 ZINC001257435903 971346348 /nfs/dbraw/zinc/34/63/48/971346348.db2.gz NNNJELCYAJDMMI-LLVKDONJSA-N 2 2 229.327 2.980 20 0 BFADLP CC[C@@H](C)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001257447176 971364841 /nfs/dbraw/zinc/36/48/41/971364841.db2.gz ARZPYKUWFYHHFZ-OLZOCXBDSA-N 2 2 234.343 2.642 20 0 BFADLP CC[C@@H](C)[N@H+]1CC[C@H](Oc2cc[nH+]cc2C)C1 ZINC001257447176 971364846 /nfs/dbraw/zinc/36/48/46/971364846.db2.gz ARZPYKUWFYHHFZ-OLZOCXBDSA-N 2 2 234.343 2.642 20 0 BFADLP CC[C@@H](C)[N@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257447929 971368617 /nfs/dbraw/zinc/36/86/17/971368617.db2.gz NFIXXHBQTLUYDB-GFCCVEGCSA-N 2 2 212.381 2.590 20 0 BFADLP CC[C@@H](C)[N@@H+](C(C)C)C1CC[NH+](C)CC1 ZINC001257447929 971368623 /nfs/dbraw/zinc/36/86/23/971368623.db2.gz NFIXXHBQTLUYDB-GFCCVEGCSA-N 2 2 212.381 2.590 20 0 BFADLP C[C@@H]([NH3+])CCNc1cc2cc(F)ccc2c[nH+]1 ZINC001170889865 972039181 /nfs/dbraw/zinc/03/91/81/972039181.db2.gz WOERPANRMRANSX-SECBINFHSA-N 2 2 233.290 2.523 20 0 BFADLP C[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])c2ccccc2)C1 ZINC001246075710 972132547 /nfs/dbraw/zinc/13/25/47/972132547.db2.gz KCQRLZXZDSHISG-YUELXQCFSA-N 2 2 232.371 2.855 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@@H](C[NH3+])c2ccccc2)C1 ZINC001246081973 972136689 /nfs/dbraw/zinc/13/66/89/972136689.db2.gz UCWFPWVSRDHBSD-YUELXQCFSA-N 2 2 232.371 2.855 20 0 BFADLP CC(C)C[C@H](C)C[C@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246085146 972139435 /nfs/dbraw/zinc/13/94/35/972139435.db2.gz GVAQXIIFFQTPMZ-XUXIUFHCSA-N 2 2 244.398 2.737 20 0 BFADLP CCC[C@H](C)CC[C@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246085663 972141497 /nfs/dbraw/zinc/14/14/97/972141497.db2.gz IRJDWFLTCZUTGJ-IGQOVBAYSA-N 2 2 244.398 2.881 20 0 BFADLP CCC[C@@H](C)[NH2+][C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001246140782 972192894 /nfs/dbraw/zinc/19/28/94/972192894.db2.gz ICARIABIDMSTPT-YUELXQCFSA-N 2 2 232.371 2.868 20 0 BFADLP C[C@H]1CCC[C@H]([NH2+]CC[NH2+]Cc2ccccc2)C1 ZINC001246167044 972200284 /nfs/dbraw/zinc/20/02/84/972200284.db2.gz BESQMJSHVHFCTG-HOCLYGCPSA-N 2 2 246.398 2.945 20 0 BFADLP Cc1cc(C)c(C[NH2+][C@H]2CCCC[NH2+]C2)c(C)c1 ZINC001246184482 972210011 /nfs/dbraw/zinc/21/00/11/972210011.db2.gz LHMOUCHAFHQMNJ-HNNXBMFYSA-N 2 2 246.398 2.844 20 0 BFADLP CCCc1ccc(C[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246233222 972239053 /nfs/dbraw/zinc/23/90/53/972239053.db2.gz VJAUWOMPCLOWCR-CZUORRHYSA-N 2 2 246.398 2.869 20 0 BFADLP CC[C@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)c1ccc(C)cc1 ZINC001246236901 972242399 /nfs/dbraw/zinc/24/23/99/972242399.db2.gz ZOSABSULVVLJSZ-SNPRPXQTSA-N 2 2 232.371 2.786 20 0 BFADLP c1cc2cc(C[NH2+][C@H]3CCC[NH2+]C3)ccc2s1 ZINC001246239495 972243721 /nfs/dbraw/zinc/24/37/21/972243721.db2.gz JENKQSLCGMBAKG-ZDUSSCGKSA-N 2 2 246.379 2.743 20 0 BFADLP C[N@@H+]1CCC[C@H]2C[NH+](CCC3CCCC3)C[C@@H]21 ZINC001208695759 957131049 /nfs/dbraw/zinc/13/10/49/957131049.db2.gz GNMVQGYLJYHOOO-GJZGRUSLSA-N 2 2 236.403 2.593 20 0 BFADLP C[N@H+]1CCC[C@H]2C[NH+](CCC3CCCC3)C[C@@H]21 ZINC001208695759 957131063 /nfs/dbraw/zinc/13/10/63/957131063.db2.gz GNMVQGYLJYHOOO-GJZGRUSLSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@H+](CCC3CCCC3)C[C@@H]21 ZINC001208695759 957131068 /nfs/dbraw/zinc/13/10/68/957131068.db2.gz GNMVQGYLJYHOOO-GJZGRUSLSA-N 2 2 236.403 2.593 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@@H+](CCC3CCCC3)C[C@@H]21 ZINC001208695759 957131085 /nfs/dbraw/zinc/13/10/85/957131085.db2.gz GNMVQGYLJYHOOO-GJZGRUSLSA-N 2 2 236.403 2.593 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+][C@@H]1C[NH2+][C@H](C)C1 ZINC001246436771 972313657 /nfs/dbraw/zinc/31/36/57/972313657.db2.gz ACXKXCGXYIJKBE-OLZOCXBDSA-N 2 2 232.371 2.570 20 0 BFADLP Cc1cc(C)cc(C[N@H+]2C[C@@H]([NH3+])CC[C@H]2C)c1 ZINC000399501507 958750650 /nfs/dbraw/zinc/75/06/50/958750650.db2.gz WSNODDTYTZMGQQ-HIFRSBDPSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1cc(C)cc(C[N@@H+]2C[C@@H]([NH3+])CC[C@H]2C)c1 ZINC000399501507 958750663 /nfs/dbraw/zinc/75/06/63/958750663.db2.gz WSNODDTYTZMGQQ-HIFRSBDPSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1C ZINC000399489573 958752801 /nfs/dbraw/zinc/75/28/01/958752801.db2.gz SOABKOCQLPCQEJ-ZFWWWQNUSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1C ZINC000399489573 958752819 /nfs/dbraw/zinc/75/28/19/958752819.db2.gz SOABKOCQLPCQEJ-ZFWWWQNUSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1cc(C)[nH+]c(N[C@H](C[NH3+])c2ccccc2)c1 ZINC000707963556 958880792 /nfs/dbraw/zinc/88/07/92/958880792.db2.gz NYLSNHLWFGFKMQ-CQSZACIVSA-N 2 2 241.338 2.810 20 0 BFADLP C(CC1CCCC1)C[N@@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192644 972401097 /nfs/dbraw/zinc/40/10/97/972401097.db2.gz XXPXKSJYFAGBOH-OAHLLOKOSA-N 2 2 236.403 2.785 20 0 BFADLP C(CC1CCCC1)C[N@H+]1CC[C@@]12CCC[NH2+]C2 ZINC001222192644 972401103 /nfs/dbraw/zinc/40/11/03/972401103.db2.gz XXPXKSJYFAGBOH-OAHLLOKOSA-N 2 2 236.403 2.785 20 0 BFADLP Cc1ccc(C)c(C[N@@H+]2CC[C@@]23CCC[NH2+]C3)c1 ZINC001222191612 972402353 /nfs/dbraw/zinc/40/23/53/972402353.db2.gz NTRGNTJPVBDMHL-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP Cc1ccc(C)c(C[N@H+]2CC[C@@]23CCC[NH2+]C3)c1 ZINC001222191612 972402360 /nfs/dbraw/zinc/40/23/60/972402360.db2.gz NTRGNTJPVBDMHL-MRXNPFEDSA-N 2 2 244.382 2.631 20 0 BFADLP C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140799859 960577447 /nfs/dbraw/zinc/57/74/47/960577447.db2.gz ONZFUHONHAHPQG-NSHDSACASA-N 2 2 229.327 2.937 20 0 BFADLP C[C@H]1CCCC[N@H+]1Cc1c[nH]c2cc[nH+]cc12 ZINC001140799859 960577478 /nfs/dbraw/zinc/57/74/78/960577478.db2.gz ONZFUHONHAHPQG-NSHDSACASA-N 2 2 229.327 2.937 20 0 BFADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCCCCC1 ZINC001140801125 960587299 /nfs/dbraw/zinc/58/72/99/960587299.db2.gz CGKDZBGOMHXJEH-UHFFFAOYSA-N 2 2 229.327 2.939 20 0 BFADLP c1[nH]c2cc[nH+]cc2c1C[NH+]1CCCCC1 ZINC001140799957 960598229 /nfs/dbraw/zinc/59/82/29/960598229.db2.gz QLNRDELYZFKVAS-UHFFFAOYSA-N 2 2 215.300 2.549 20 0 BFADLP CCC[N@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236387 961003676 /nfs/dbraw/zinc/00/36/76/961003676.db2.gz BJKFWTOWOZKCHP-UHFFFAOYSA-N 2 2 229.327 2.714 20 0 BFADLP CCC[N@@H+](C)Cc1cccc(-n2cc[nH+]c2)c1 ZINC001141236387 961003711 /nfs/dbraw/zinc/00/37/11/961003711.db2.gz BJKFWTOWOZKCHP-UHFFFAOYSA-N 2 2 229.327 2.714 20 0 BFADLP Cc1ccc(C[N@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1C ZINC000399489570 961131873 /nfs/dbraw/zinc/13/18/73/961131873.db2.gz SOABKOCQLPCQEJ-UKRRQHHQSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@@H+]2C[C@H]([NH3+])CC[C@H]2C)cc1C ZINC000399489570 961131886 /nfs/dbraw/zinc/13/18/86/961131886.db2.gz SOABKOCQLPCQEJ-UKRRQHHQSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1[nH+]c2ccc(NC=[NH2+])cc2n1C(C)C ZINC001167869515 961371123 /nfs/dbraw/zinc/37/11/23/961371123.db2.gz WYDVMLDAJYOFGD-UHFFFAOYSA-N 2 2 216.288 2.945 20 0 BFADLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710847108 962494934 /nfs/dbraw/zinc/49/49/34/962494934.db2.gz FZWUGPVTTZWFAI-YJNKXOJESA-N 2 2 236.403 2.639 20 0 BFADLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000710847108 962494944 /nfs/dbraw/zinc/49/49/44/962494944.db2.gz FZWUGPVTTZWFAI-YJNKXOJESA-N 2 2 236.403 2.639 20 0 BFADLP CC[NH+](CC)c1ccc(C)c(NCC[NH+](C)C)c1 ZINC001161672838 963139427 /nfs/dbraw/zinc/13/94/27/963139427.db2.gz KCTSOITWEWVYCT-UHFFFAOYSA-N 2 2 249.402 2.815 20 0 BFADLP Cc1cccc2cc[nH+]c(N[C@@H](C)C[NH+](C)C)c12 ZINC001155922178 963205024 /nfs/dbraw/zinc/20/50/24/963205024.db2.gz UXVONHWCWUBWGY-LBPRGKRZSA-N 2 2 243.354 2.905 20 0 BFADLP Cc1cc2ccccc2c(N[C@H]2CC[N@@H+](C)C2)[nH+]1 ZINC001156580491 963395416 /nfs/dbraw/zinc/39/54/16/963395416.db2.gz FWLNBHURXZZFDK-ZDUSSCGKSA-N 2 2 241.338 2.659 20 0 BFADLP Cc1cc2ccccc2c(N[C@H]2CC[N@H+](C)C2)[nH+]1 ZINC001156580491 963395428 /nfs/dbraw/zinc/39/54/28/963395428.db2.gz FWLNBHURXZZFDK-ZDUSSCGKSA-N 2 2 241.338 2.659 20 0 BFADLP c1cc2c(cccc2C[N@@H+]2CCC[NH2+]CC2)s1 ZINC001204685210 963618150 /nfs/dbraw/zinc/61/81/50/963618150.db2.gz XIZRZKNUIFEOIT-UHFFFAOYSA-N 2 2 246.379 2.697 20 0 BFADLP c1cc2c(cccc2C[N@H+]2CCC[NH2+]CC2)s1 ZINC001204685210 963618154 /nfs/dbraw/zinc/61/81/54/963618154.db2.gz XIZRZKNUIFEOIT-UHFFFAOYSA-N 2 2 246.379 2.697 20 0 BFADLP C[C@]1([NH3+])CC[N@H+](Cc2cccc3sccc32)C1 ZINC001204801650 963674834 /nfs/dbraw/zinc/67/48/34/963674834.db2.gz RTFXEIIYUKLFMN-AWEZNQCLSA-N 2 2 246.379 2.824 20 0 BFADLP C[C@]1([NH3+])CC[N@@H+](Cc2cccc3sccc32)C1 ZINC001204801650 963674838 /nfs/dbraw/zinc/67/48/38/963674838.db2.gz RTFXEIIYUKLFMN-AWEZNQCLSA-N 2 2 246.379 2.824 20 0 BFADLP CC[N@@H+]1CCN(c2cc(C)cc(C)[nH+]2)C(C)(C)C1 ZINC001158561517 963887303 /nfs/dbraw/zinc/88/73/03/963887303.db2.gz SOCMPDGCAPRRKZ-UHFFFAOYSA-N 2 2 247.386 2.619 20 0 BFADLP CC[N@H+]1CCN(c2cc(C)cc(C)[nH+]2)C(C)(C)C1 ZINC001158561517 963887307 /nfs/dbraw/zinc/88/73/07/963887307.db2.gz SOCMPDGCAPRRKZ-UHFFFAOYSA-N 2 2 247.386 2.619 20 0 BFADLP C[C@]1(C[NH3+])CCCN(c2cccc(C3CC3)[nH+]2)C1 ZINC001158685101 963903838 /nfs/dbraw/zinc/90/38/38/963903838.db2.gz VQUAJUUMKYPCJI-OAHLLOKOSA-N 2 2 245.370 2.524 20 0 BFADLP CC1CCC([N@@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001168221470 963998278 /nfs/dbraw/zinc/99/82/78/963998278.db2.gz DGCMJWSILZTFKN-HXSCFSKGSA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([N@H+]2C[C@H]3CCC[NH+](C)[C@@H]3C2)CC1 ZINC001168221470 963998283 /nfs/dbraw/zinc/99/82/83/963998283.db2.gz DGCMJWSILZTFKN-HXSCFSKGSA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([NH+]2C[C@H]3CCC[N@H+](C)[C@@H]3C2)CC1 ZINC001168221470 963998287 /nfs/dbraw/zinc/99/82/87/963998287.db2.gz DGCMJWSILZTFKN-HXSCFSKGSA-N 2 2 236.403 2.591 20 0 BFADLP CC1CCC([NH+]2C[C@H]3CCC[N@@H+](C)[C@@H]3C2)CC1 ZINC001168221470 963998291 /nfs/dbraw/zinc/99/82/91/963998291.db2.gz DGCMJWSILZTFKN-HXSCFSKGSA-N 2 2 236.403 2.591 20 0 BFADLP CCCc1cc[nH+]c(NC2=CCC[NH2+]CC2)c1 ZINC001159408315 964078454 /nfs/dbraw/zinc/07/84/54/964078454.db2.gz ANOQHIQDMNUNIS-UHFFFAOYSA-N 2 2 231.343 2.713 20 0 BFADLP C[NH+](C)Cc1cccc(NC(=[NH2+])C(C)(C)C)n1 ZINC001162660837 965091524 /nfs/dbraw/zinc/09/15/24/965091524.db2.gz NYAHIIBSKHGYIX-UHFFFAOYSA-N 2 2 234.347 2.578 20 0 BFADLP CN(CCC[NH+](C)C)c1ccc(C(C)(C)C)c[nH+]1 ZINC001163601005 965476472 /nfs/dbraw/zinc/47/64/72/965476472.db2.gz XTBHTEFNRQWTKG-UHFFFAOYSA-N 2 2 249.402 2.767 20 0 BFADLP Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)s1 ZINC000400451773 965951149 /nfs/dbraw/zinc/95/11/49/965951149.db2.gz OUEKPLYVXCJTEH-SRVKXCTJSA-N 2 2 238.400 2.848 20 0 BFADLP C(CC1CCCCC1)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235004583 965988151 /nfs/dbraw/zinc/98/81/51/965988151.db2.gz SQAWZSPVKKESGV-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP C(CC1CCCCC1)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235004583 965988177 /nfs/dbraw/zinc/98/81/77/965988177.db2.gz SQAWZSPVKKESGV-GJZGRUSLSA-N 2 2 236.403 2.783 20 0 BFADLP [NH3+][C@H](C[N@@H+]1CC[C@H]2CCC[C@H]2C1)c1ccccc1 ZINC001235224682 966026734 /nfs/dbraw/zinc/02/67/34/966026734.db2.gz NTJWSAGKPWHUHQ-VNQPRFMTSA-N 2 2 244.382 2.808 20 0 BFADLP [NH3+][C@H](C[N@H+]1CC[C@H]2CCC[C@H]2C1)c1ccccc1 ZINC001235224682 966026752 /nfs/dbraw/zinc/02/67/52/966026752.db2.gz NTJWSAGKPWHUHQ-VNQPRFMTSA-N 2 2 244.382 2.808 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC001235442547 966061649 /nfs/dbraw/zinc/06/16/49/966061649.db2.gz LPAHWIBKPXJZGK-OAHLLOKOSA-N 2 2 232.371 2.741 20 0 BFADLP CC[NH2+]CC[N@H+]1CCC[C@@H]1c1ccccc1C ZINC001235442547 966061654 /nfs/dbraw/zinc/06/16/54/966061654.db2.gz LPAHWIBKPXJZGK-OAHLLOKOSA-N 2 2 232.371 2.741 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001236052495 966254665 /nfs/dbraw/zinc/25/46/65/966254665.db2.gz RUZOLMABFHVKBF-CJNGLKHVSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)c1cccc(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)c1 ZINC001236052495 966254686 /nfs/dbraw/zinc/25/46/86/966254686.db2.gz RUZOLMABFHVKBF-CJNGLKHVSA-N 2 2 246.398 2.979 20 0 BFADLP CC(C)[NH+]1CCC(CNc2cccc[nH+]2)CC1 ZINC001166593500 966315320 /nfs/dbraw/zinc/31/53/20/966315320.db2.gz DEECMNCYELIRPY-UHFFFAOYSA-N 2 2 233.359 2.614 20 0 BFADLP Cc1ccc([C@@H](C)CC[N@@H+]2CCC[C@@H]2C[NH3+])o1 ZINC001236244333 966316700 /nfs/dbraw/zinc/31/67/00/966316700.db2.gz JWXYABRLOJYGRF-WCQYABFASA-N 2 2 236.359 2.505 20 0 BFADLP Cc1ccc([C@@H](C)CC[N@H+]2CCC[C@@H]2C[NH3+])o1 ZINC001236244333 966316714 /nfs/dbraw/zinc/31/67/14/966316714.db2.gz JWXYABRLOJYGRF-WCQYABFASA-N 2 2 236.359 2.505 20 0 BFADLP Cc1ccccc1C[NH+]1C[C@@H]2CCC[N@@H+](C)[C@@H]2C1 ZINC001203708112 966743085 /nfs/dbraw/zinc/74/30/85/966743085.db2.gz FFFMDRMCTURSFB-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[NH+]1C[C@@H]2CCC[N@H+](C)[C@@H]2C1 ZINC001203708112 966743093 /nfs/dbraw/zinc/74/30/93/966743093.db2.gz FFFMDRMCTURSFB-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001203708112 966743101 /nfs/dbraw/zinc/74/31/01/966743101.db2.gz FFFMDRMCTURSFB-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP Cc1ccccc1C[N@@H+]1C[C@@H]2CCC[NH+](C)[C@@H]2C1 ZINC001203708112 966743109 /nfs/dbraw/zinc/74/31/09/966743109.db2.gz FFFMDRMCTURSFB-JKSUJKDBSA-N 2 2 244.382 2.521 20 0 BFADLP CC[N@H+](Cc1ccccc1C)C1CC[NH+](C)CC1 ZINC001203706625 966747527 /nfs/dbraw/zinc/74/75/27/966747527.db2.gz IRSPKDCMYUWAHI-UHFFFAOYSA-N 2 2 246.398 2.911 20 0 BFADLP CC[N@@H+](Cc1ccccc1C)C1CC[NH+](C)CC1 ZINC001203706625 966747547 /nfs/dbraw/zinc/74/75/47/966747547.db2.gz IRSPKDCMYUWAHI-UHFFFAOYSA-N 2 2 246.398 2.911 20 0 BFADLP CC[N@H+](Cc1ccsc1)C1CC[NH+](C)CC1 ZINC001204039318 966864739 /nfs/dbraw/zinc/86/47/39/966864739.db2.gz WVACZNQKTGEAAU-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP CC[N@@H+](Cc1ccsc1)C1CC[NH+](C)CC1 ZINC001204039318 966864742 /nfs/dbraw/zinc/86/47/42/966864742.db2.gz WVACZNQKTGEAAU-UHFFFAOYSA-N 2 2 238.400 2.664 20 0 BFADLP C[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1[NH3+] ZINC000094522143 966916450 /nfs/dbraw/zinc/91/64/50/966916450.db2.gz YKTFWTHSVMDYLO-WBMJQRKESA-N 2 2 244.382 2.733 20 0 BFADLP C[C@@H]1CC[N@@H+](Cc2ccc(C3CC3)cc2)C[C@@H]1[NH3+] ZINC000094522143 966916460 /nfs/dbraw/zinc/91/64/60/966916460.db2.gz YKTFWTHSVMDYLO-WBMJQRKESA-N 2 2 244.382 2.733 20 0 BFADLP Cc1ccc([C@H](C)CC[N@@H+]2CC[C@@](C)([NH3+])C2)o1 ZINC001204763597 967156344 /nfs/dbraw/zinc/15/63/44/967156344.db2.gz MUHSLZFLFGWAHE-BXUZGUMPSA-N 2 2 236.359 2.505 20 0 BFADLP Cc1ccc([C@H](C)CC[N@H+]2CC[C@@](C)([NH3+])C2)o1 ZINC001204763597 967156354 /nfs/dbraw/zinc/15/63/54/967156354.db2.gz MUHSLZFLFGWAHE-BXUZGUMPSA-N 2 2 236.359 2.505 20 0 BFADLP C[C@@]1([NH3+])CC[N@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001204801573 967175640 /nfs/dbraw/zinc/17/56/40/967175640.db2.gz QIBULNWIGBPRKW-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP C[C@@]1([NH3+])CC[N@@H+](Cc2ccc(C3CCC3)cc2)C1 ZINC001204801573 967175654 /nfs/dbraw/zinc/17/56/54/967175654.db2.gz QIBULNWIGBPRKW-MRXNPFEDSA-N 2 2 244.382 2.877 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904002 967225479 /nfs/dbraw/zinc/22/54/79/967225479.db2.gz JOXFBZIGSHWTEG-OAHLLOKOSA-N 2 2 244.382 2.562 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@@H]([NH3+])C3(CC3)C2)cc1 ZINC001204904002 967225494 /nfs/dbraw/zinc/22/54/94/967225494.db2.gz JOXFBZIGSHWTEG-OAHLLOKOSA-N 2 2 244.382 2.562 20 0 BFADLP C[C@H](CC[N@@H+]1C[C@@H]([NH3+])C2(CC2)C1)CC(C)(C)C ZINC001204904658 967225988 /nfs/dbraw/zinc/22/59/88/967225988.db2.gz VWOIDUZPXNQFKK-CHWSQXEVSA-N 2 2 238.419 2.872 20 0 BFADLP C[C@H](CC[N@H+]1C[C@@H]([NH3+])C2(CC2)C1)CC(C)(C)C ZINC001204904658 967225995 /nfs/dbraw/zinc/22/59/95/967225995.db2.gz VWOIDUZPXNQFKK-CHWSQXEVSA-N 2 2 238.419 2.872 20 0 BFADLP CC[NH2+]CC[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001205171448 967411911 /nfs/dbraw/zinc/41/19/11/967411911.db2.gz QZJYLIVHTQGEPI-OAHLLOKOSA-N 2 2 232.371 2.823 20 0 BFADLP CC[NH2+]CC[N@H+]1CCCC[C@@H]1c1ccccc1 ZINC001205171448 967411917 /nfs/dbraw/zinc/41/19/17/967411917.db2.gz QZJYLIVHTQGEPI-OAHLLOKOSA-N 2 2 232.371 2.823 20 0 BFADLP CCCc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)s1 ZINC001205182880 967418242 /nfs/dbraw/zinc/41/82/42/967418242.db2.gz OBSYGRXVGZUBHL-ZWNOBZJWSA-N 2 2 238.400 2.622 20 0 BFADLP CCCc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)s1 ZINC001205182880 967418248 /nfs/dbraw/zinc/41/82/48/967418248.db2.gz OBSYGRXVGZUBHL-ZWNOBZJWSA-N 2 2 238.400 2.622 20 0 BFADLP Cc1[nH+]cc(C2CC2)cc1CCC[NH+](C)C ZINC001250164363 967459024 /nfs/dbraw/zinc/45/90/24/967459024.db2.gz NNWKONPENXDIRZ-UHFFFAOYSA-N 2 2 218.344 2.762 20 0 BFADLP Cc1[nH]c2ccc(CC[NH+]3CCCCC3)cc2[nH+]1 ZINC001250242660 967557111 /nfs/dbraw/zinc/55/71/11/967557111.db2.gz YSNYRXYYHDGODT-UHFFFAOYSA-N 2 2 243.354 2.900 20 0 BFADLP Cc1cc(N[C@H]2CCC[C@H]([NH3+])C2)[nH+]c2cc[nH]c21 ZINC001162405865 967830066 /nfs/dbraw/zinc/83/00/66/967830066.db2.gz XQRCXNMXFRAWPE-QWRGUYRKSA-N 2 2 244.342 2.553 20 0 BFADLP Cc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)[nH+]c2cc[nH]c21 ZINC001162405866 967830957 /nfs/dbraw/zinc/83/09/57/967830957.db2.gz XQRCXNMXFRAWPE-WDEREUQCSA-N 2 2 244.342 2.553 20 0 BFADLP C[NH+](C)CC(C)(C)CNc1cc2cc[nH]c2c[nH+]1 ZINC001168762130 968004301 /nfs/dbraw/zinc/00/43/01/968004301.db2.gz DDPUBJMAPIAXBT-UHFFFAOYSA-N 2 2 246.358 2.563 20 0 BFADLP Cc1[nH+]cc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)n1C ZINC001206794856 968475657 /nfs/dbraw/zinc/47/56/57/968475657.db2.gz ZIGIJTQLKLHTSP-ZFWWWQNUSA-N 2 2 247.386 2.883 20 0 BFADLP Cc1[nH+]cc(C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)n1C ZINC001206794856 968475665 /nfs/dbraw/zinc/47/56/65/968475665.db2.gz ZIGIJTQLKLHTSP-ZFWWWQNUSA-N 2 2 247.386 2.883 20 0 BFADLP CC(C)(C)[C@H]1CCC[C@H]1[NH2+]CCn1cc[nH+]c1 ZINC000820735754 968481524 /nfs/dbraw/zinc/48/15/24/968481524.db2.gz VBAAEGTUFFNIJP-QWHCGFSZSA-N 2 2 235.375 2.688 20 0 BFADLP CCC(CC)[NH2+]CC1C[NH+](Cc2ccccc2)C1 ZINC000716268823 968822665 /nfs/dbraw/zinc/82/26/65/968822665.db2.gz HEMKQGOZIHSALZ-UHFFFAOYSA-N 2 2 246.398 2.897 20 0 BFADLP CC[C@H]([NH2+]CC[N@@H+]1CCC(C)(C)C1)C1CCC1 ZINC001207764174 968879174 /nfs/dbraw/zinc/87/91/74/968879174.db2.gz ZZGQQXGJLXVRGW-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP CC[C@H]([NH2+]CC[N@H+]1CCC(C)(C)C1)C1CCC1 ZINC001207764174 968879179 /nfs/dbraw/zinc/87/91/79/968879179.db2.gz ZZGQQXGJLXVRGW-AWEZNQCLSA-N 2 2 238.419 2.887 20 0 BFADLP CCc1ccc(C)[nH+]c1NC1=CC[N@H+](C)CC1 ZINC001208719659 969204066 /nfs/dbraw/zinc/20/40/66/969204066.db2.gz USUVLVUKNOAVKN-UHFFFAOYSA-N 2 2 231.343 2.584 20 0 BFADLP CCc1ccc(C)[nH+]c1NC1=CC[N@@H+](C)CC1 ZINC001208719659 969204069 /nfs/dbraw/zinc/20/40/69/969204069.db2.gz USUVLVUKNOAVKN-UHFFFAOYSA-N 2 2 231.343 2.584 20 0 BFADLP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccn1 ZINC001169231157 969502795 /nfs/dbraw/zinc/50/27/95/969502795.db2.gz SGBOXKFJEZIXPU-CQSZACIVSA-N 2 2 247.386 2.607 20 0 BFADLP CC[NH+]1CCC([N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001169266636 969525527 /nfs/dbraw/zinc/52/55/27/969525527.db2.gz ZLROONIAULFWIJ-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP CC[NH+]1CCC([N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC001169266636 969525529 /nfs/dbraw/zinc/52/55/29/969525529.db2.gz ZLROONIAULFWIJ-ZFWWWQNUSA-N 2 2 236.403 2.735 20 0 BFADLP CC[N@H+](Cc1cccs1)Cc1c[nH+]ccc1N ZINC001209737903 969600191 /nfs/dbraw/zinc/60/01/91/969600191.db2.gz TYPLBPVFVIYVDH-UHFFFAOYSA-N 2 2 247.367 2.578 20 0 BFADLP CC[N@@H+](Cc1cccs1)Cc1c[nH+]ccc1N ZINC001209737903 969600197 /nfs/dbraw/zinc/60/01/97/969600197.db2.gz TYPLBPVFVIYVDH-UHFFFAOYSA-N 2 2 247.367 2.578 20 0 BFADLP Cc1cc(C)c(Nc2c[nH+]c(N)cc2C)c[nH+]1 ZINC001209968522 969735680 /nfs/dbraw/zinc/73/56/80/969735680.db2.gz UQESEWLXDXTPCV-UHFFFAOYSA-N 2 2 228.299 2.728 20 0 BFADLP CCCCCC[NH2+][C@H]1CC2CC[NH+](CC2)C1 ZINC001254834699 969795599 /nfs/dbraw/zinc/79/55/99/969795599.db2.gz YDPAEDLUFGXGPR-AWEZNQCLSA-N 2 2 224.392 2.641 20 0 BFADLP C1[C@H]([NH2+][C@@H]2CC3CC[NH+](CC3)C2)C12CCCCC2 ZINC001254846823 969803976 /nfs/dbraw/zinc/80/39/76/969803976.db2.gz WFTAHPOZNUAFKV-CABCVRRESA-N 2 2 248.414 2.783 20 0 BFADLP CCCC[C@@H](C)[NH2+][C@@H]1CC2CC[NH+](CC2)C1 ZINC001254851228 969806537 /nfs/dbraw/zinc/80/65/37/969806537.db2.gz LWLREOHLZZRRDX-TZMCWYRMSA-N 2 2 224.392 2.639 20 0 BFADLP C1[C@@H]2CCCC[C@H]2C[NH+]1[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254863232 969814471 /nfs/dbraw/zinc/81/44/71/969814471.db2.gz AFOPIGDDGMFUGZ-HRCADAONSA-N 2 2 248.414 2.593 20 0 BFADLP CC(C)c1cccc(C[N@@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210518651 969926127 /nfs/dbraw/zinc/92/61/27/969926127.db2.gz HOKUHUPGUWFHGO-CQSZACIVSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1cccc(C[N@H+]2CC[NH2+][C@H](C)CC2)c1 ZINC001210518651 969926131 /nfs/dbraw/zinc/92/61/31/969926131.db2.gz HOKUHUPGUWFHGO-CQSZACIVSA-N 2 2 246.398 2.994 20 0 BFADLP c1c[nH+]c(-c2ccc(Nc3cc[nH+]cc3)cc2)[nH]1 ZINC001213085777 970271439 /nfs/dbraw/zinc/27/14/39/970271439.db2.gz WRUDEAZXLHFFQU-UHFFFAOYSA-N 2 2 236.278 2.637 20 0 BFADLP Cc1cc(C)c(Nc2cc[nH+]c(N(C)C)c2)c[nH+]1 ZINC001213508569 970330274 /nfs/dbraw/zinc/33/02/74/970330274.db2.gz WQGIBRNUCKDUHU-UHFFFAOYSA-N 2 2 242.326 2.903 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC(C)(C)C)C2)C1 ZINC001170118627 970341498 /nfs/dbraw/zinc/34/14/98/970341498.db2.gz TVNONQIUOHEVHJ-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC(C)(C)C)C2)C1 ZINC001170118627 970341509 /nfs/dbraw/zinc/34/15/09/970341509.db2.gz TVNONQIUOHEVHJ-IHRRRGAJSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)[N@H+]([C@@H](C)CC(F)(F)F)C(C)(C)C[NH3+] ZINC001255645363 970398908 /nfs/dbraw/zinc/39/89/08/970398908.db2.gz DEUOKCUTKMJRRG-VIFPVBQESA-N 2 2 240.313 2.775 20 0 BFADLP CC(C)[N@@H+]([C@@H](C)CC(F)(F)F)C(C)(C)C[NH3+] ZINC001255645363 970398921 /nfs/dbraw/zinc/39/89/21/970398921.db2.gz DEUOKCUTKMJRRG-VIFPVBQESA-N 2 2 240.313 2.775 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1C[C@H](F)C[C@H]1C ZINC001255955597 970590773 /nfs/dbraw/zinc/59/07/73/970590773.db2.gz CQNPTPYVJYEJSX-YNEHKIRRSA-N 2 2 230.371 2.539 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+]1C[C@H](F)C[C@H]1C ZINC001255955597 970590775 /nfs/dbraw/zinc/59/07/75/970590775.db2.gz CQNPTPYVJYEJSX-YNEHKIRRSA-N 2 2 230.371 2.539 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@@H+]1CCC[C@@H]1CF ZINC001255968881 970607835 /nfs/dbraw/zinc/60/78/35/970607835.db2.gz MEVQZXUZXVZUMN-QWHCGFSZSA-N 2 2 230.371 2.541 20 0 BFADLP CC[NH+](CC)CC[C@H](C)[N@H+]1CCC[C@@H]1CF ZINC001255968881 970607840 /nfs/dbraw/zinc/60/78/40/970607840.db2.gz MEVQZXUZXVZUMN-QWHCGFSZSA-N 2 2 230.371 2.541 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256073031 970640651 /nfs/dbraw/zinc/64/06/51/970640651.db2.gz MCPUFIVXTSLSJK-BETUJISGSA-N 2 2 236.403 2.876 20 0 BFADLP C[C@@H]1CCC[C@H](C)[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256073031 970640656 /nfs/dbraw/zinc/64/06/56/970640656.db2.gz MCPUFIVXTSLSJK-BETUJISGSA-N 2 2 236.403 2.876 20 0 BFADLP C[C@H]1CCCCC[N@@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256077638 970646354 /nfs/dbraw/zinc/64/63/54/970646354.db2.gz QJBSKPNQNSFAJJ-ZDUSSCGKSA-N 2 2 236.403 2.878 20 0 BFADLP C[C@H]1CCCCC[N@H+]1C1CC[NH+](C2CC2)CC1 ZINC001256077638 970646361 /nfs/dbraw/zinc/64/63/61/970646361.db2.gz QJBSKPNQNSFAJJ-ZDUSSCGKSA-N 2 2 236.403 2.878 20 0 BFADLP C1CC1[NH+]1CCC([N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001256079856 970647503 /nfs/dbraw/zinc/64/75/03/970647503.db2.gz PHKUSSCNOBWPKM-CJNGLKHVSA-N 2 2 248.414 2.878 20 0 BFADLP C1CC1[NH+]1CCC([N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC001256079856 970647512 /nfs/dbraw/zinc/64/75/12/970647512.db2.gz PHKUSSCNOBWPKM-CJNGLKHVSA-N 2 2 248.414 2.878 20 0 BFADLP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ncccc1C ZINC001256195319 970691849 /nfs/dbraw/zinc/69/18/49/970691849.db2.gz LPTUETBWKMKYPG-CQSZACIVSA-N 2 2 247.386 2.525 20 0 BFADLP Cc1ccc(C2([NH2+]C3CC[NH+](C)CC3)CC2)cc1 ZINC001256196256 970692463 /nfs/dbraw/zinc/69/24/63/970692463.db2.gz CQDZJTMPCOUUOO-UHFFFAOYSA-N 2 2 244.382 2.668 20 0 BFADLP C[N@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC001256214078 970721785 /nfs/dbraw/zinc/72/17/85/970721785.db2.gz FDIVMZVPPZBETD-MRXNPFEDSA-N 2 2 244.382 2.700 20 0 BFADLP C[N@@H+]([C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC001256214078 970721793 /nfs/dbraw/zinc/72/17/93/970721793.db2.gz FDIVMZVPPZBETD-MRXNPFEDSA-N 2 2 244.382 2.700 20 0 BFADLP C[C@@H]1C[C@H]([N@H+]2C[C@H](F)C[C@H]([NH3+])C2)CC(C)(C)C1 ZINC001246586037 972966466 /nfs/dbraw/zinc/96/64/66/972966466.db2.gz PRGFLNGQOVXKPY-NDBYEHHHSA-N 2 2 242.382 2.572 20 0 BFADLP C[C@@H]1C[C@H]([N@@H+]2C[C@H](F)C[C@H]([NH3+])C2)CC(C)(C)C1 ZINC001246586037 972966483 /nfs/dbraw/zinc/96/64/83/972966483.db2.gz PRGFLNGQOVXKPY-NDBYEHHHSA-N 2 2 242.382 2.572 20 0 BFADLP C[NH2+][C@@H]1CC[N@@H+]([C@@H](C)CCc2ccc(C)cc2)C1 ZINC001246812860 973114068 /nfs/dbraw/zinc/11/40/68/973114068.db2.gz IXWMLRSZXZNWNW-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP C[NH2+][C@@H]1CC[N@H+]([C@@H](C)CCc2ccc(C)cc2)C1 ZINC001246812860 973114081 /nfs/dbraw/zinc/11/40/81/973114081.db2.gz IXWMLRSZXZNWNW-GOEBONIOSA-N 2 2 246.398 2.610 20 0 BFADLP CCCCC(CCCC)[N@@H+]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001246916583 973470186 /nfs/dbraw/zinc/47/01/86/973470186.db2.gz IOWWRMUNABEQQN-OCCSQVGLSA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](CC(C)C)[NH2+]CC[NH+](CC)CC ZINC001172384904 974729166 /nfs/dbraw/zinc/72/91/66/974729166.db2.gz WXIYNPXWBQLHHW-CYBMUJFWSA-N 2 2 214.397 2.743 20 0 BFADLP CC[C@H](CC(C)C)[N@@H+]1CCn2c(c[nH+]c2C)C1 ZINC001172396809 974755342 /nfs/dbraw/zinc/75/53/42/974755342.db2.gz OSGPUUBSCSTSOK-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP CC[C@H](CC(C)C)[N@H+]1CCn2c(c[nH+]c2C)C1 ZINC001172396809 974755349 /nfs/dbraw/zinc/75/53/49/974755349.db2.gz OSGPUUBSCSTSOK-CYBMUJFWSA-N 2 2 235.375 2.832 20 0 BFADLP Cc1coc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001331553968 974761675 /nfs/dbraw/zinc/76/16/75/974761675.db2.gz QZZGMRHWBVCACP-STQMWFEESA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC001331553968 974761680 /nfs/dbraw/zinc/76/16/80/974761680.db2.gz QZZGMRHWBVCACP-STQMWFEESA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001331553968 974761685 /nfs/dbraw/zinc/76/16/85/974761685.db2.gz QZZGMRHWBVCACP-STQMWFEESA-N 2 2 236.359 2.503 20 0 BFADLP Cc1coc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001331553968 974761689 /nfs/dbraw/zinc/76/16/89/974761689.db2.gz QZZGMRHWBVCACP-STQMWFEESA-N 2 2 236.359 2.503 20 0 BFADLP C[C@@H]([NH3+])C[N@H+](Cc1cccc(F)c1)C1CCC1 ZINC001332455712 975139137 /nfs/dbraw/zinc/13/91/37/975139137.db2.gz JKHZXRUJAAWKGP-LLVKDONJSA-N 2 2 236.334 2.527 20 0 BFADLP C[C@@H]([NH3+])C[N@@H+](Cc1cccc(F)c1)C1CCC1 ZINC001332455712 975139143 /nfs/dbraw/zinc/13/91/43/975139143.db2.gz JKHZXRUJAAWKGP-LLVKDONJSA-N 2 2 236.334 2.527 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCC3)C2)C1 ZINC001173273625 975150492 /nfs/dbraw/zinc/15/04/92/975150492.db2.gz OIZVDMAUYWSFDO-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCC3)C2)C1 ZINC001173273625 975150494 /nfs/dbraw/zinc/15/04/94/975150494.db2.gz OIZVDMAUYWSFDO-MCIONIFRSA-N 2 2 236.403 2.782 20 0 BFADLP CCSC[C@H](C)[N@H+](CC)C1CC[NH+](C)CC1 ZINC001173305038 975212657 /nfs/dbraw/zinc/21/26/57/975212657.db2.gz KRYMHSNWGBCWKH-LBPRGKRZSA-N 2 2 244.448 2.544 20 0 BFADLP CCSC[C@H](C)[N@@H+](CC)C1CC[NH+](C)CC1 ZINC001173305038 975212668 /nfs/dbraw/zinc/21/26/68/975212668.db2.gz KRYMHSNWGBCWKH-LBPRGKRZSA-N 2 2 244.448 2.544 20 0 BFADLP CC[C@H]1CC[C@@H]([N@H+](CC)CCn2cc[nH+]c2)C1 ZINC001173285267 975244920 /nfs/dbraw/zinc/24/49/20/975244920.db2.gz VKRPBPTTWLZONH-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP CC[C@H]1CC[C@@H]([N@@H+](CC)CCn2cc[nH+]c2)C1 ZINC001173285267 975244928 /nfs/dbraw/zinc/24/49/28/975244928.db2.gz VKRPBPTTWLZONH-UONOGXRCSA-N 2 2 235.375 2.784 20 0 BFADLP C(=C/C1CC1)\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001334402941 976494590 /nfs/dbraw/zinc/49/45/90/976494590.db2.gz MZUJPICVZCZNBF-SZWGIHMLSA-N 2 2 234.387 2.559 20 0 BFADLP C(=C/C1CC1)\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001334402941 976494600 /nfs/dbraw/zinc/49/46/00/976494600.db2.gz MZUJPICVZCZNBF-SZWGIHMLSA-N 2 2 234.387 2.559 20 0 BFADLP C(=C\C1CC1)\C[NH2+][C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001334402940 976496040 /nfs/dbraw/zinc/49/60/40/976496040.db2.gz MZUJPICVZCZNBF-SUXDSQMHSA-N 2 2 234.387 2.559 20 0 BFADLP C(=C\C1CC1)\C[NH2+][C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC001334402940 976496046 /nfs/dbraw/zinc/49/60/46/976496046.db2.gz MZUJPICVZCZNBF-SUXDSQMHSA-N 2 2 234.387 2.559 20 0 BFADLP Cc1ccc(C)c(Nc2cc[nH+]cc2C)[nH+]1 ZINC001174536773 976816266 /nfs/dbraw/zinc/81/62/66/976816266.db2.gz UYQFAWZHOVYELA-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP Cc1c[nH+]c(Nc2cc[nH+]cc2C)c(C)c1 ZINC001174536507 976816850 /nfs/dbraw/zinc/81/68/50/976816850.db2.gz OHYNJACCOQOPQB-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP CCCC[C@H](C)[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721549906 977241229 /nfs/dbraw/zinc/24/12/29/977241229.db2.gz IJRRXDPBPNCISE-XJKSGUPXSA-N 2 2 246.398 2.951 20 0 BFADLP CCCC[C@H](C)[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721549906 977241245 /nfs/dbraw/zinc/24/12/45/977241245.db2.gz IJRRXDPBPNCISE-XJKSGUPXSA-N 2 2 246.398 2.951 20 0 BFADLP C[C@H](CC1CC1)[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721638303 977598032 /nfs/dbraw/zinc/59/80/32/977598032.db2.gz GHONTGHXILEDCL-WBMJQRKESA-N 2 2 244.382 2.561 20 0 BFADLP C[C@H](CC1CC1)[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721638303 977598039 /nfs/dbraw/zinc/59/80/39/977598039.db2.gz GHONTGHXILEDCL-WBMJQRKESA-N 2 2 244.382 2.561 20 0 BFADLP Cc1cc[nH+]c(Nc2cc(C)[nH+]c(C)c2)c1 ZINC001176051295 977896038 /nfs/dbraw/zinc/89/60/38/977896038.db2.gz ARWHCACZSQOXSX-UHFFFAOYSA-N 2 2 213.284 2.567 20 0 BFADLP Cc1cc(Nc2cccc3[nH+]ccn32)cc(C)[nH+]1 ZINC001176053279 977900836 /nfs/dbraw/zinc/90/08/36/977900836.db2.gz WHTFFRXCIRDWAT-UHFFFAOYSA-N 2 2 238.294 2.512 20 0 BFADLP Cc1cc(F)cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[nH+]1 ZINC001336982473 978105582 /nfs/dbraw/zinc/10/55/82/978105582.db2.gz FCCLSAQNUMATPB-OLZOCXBDSA-N 2 2 249.333 2.568 20 0 BFADLP Cc1cc(F)cc(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[nH+]1 ZINC001336982473 978105596 /nfs/dbraw/zinc/10/55/96/978105596.db2.gz FCCLSAQNUMATPB-OLZOCXBDSA-N 2 2 249.333 2.568 20 0 BFADLP CCc1[nH+]ccc(C)c1Nc1c[nH+]c(N)c(C)c1 ZINC001249783311 978387126 /nfs/dbraw/zinc/38/71/26/978387126.db2.gz AACCWSDQHAPJSO-UHFFFAOYSA-N 2 2 242.326 2.982 20 0 BFADLP CC[C@H](C[NH2+]C[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001177737522 978428483 /nfs/dbraw/zinc/42/84/83/978428483.db2.gz PESFKXARBVCNLI-ZIAGYGMSSA-N 2 2 234.387 2.720 20 0 BFADLP CCc1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]c1 ZINC001337843476 978523708 /nfs/dbraw/zinc/52/37/08/978523708.db2.gz MQAYONLXAAZJJE-AWEZNQCLSA-N 2 2 247.386 2.786 20 0 BFADLP CCc1ccc(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]c1 ZINC001337843476 978523710 /nfs/dbraw/zinc/52/37/10/978523710.db2.gz MQAYONLXAAZJJE-AWEZNQCLSA-N 2 2 247.386 2.786 20 0 BFADLP CC(C)c1ccccc1C[N@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235347859 979031517 /nfs/dbraw/zinc/03/15/17/979031517.db2.gz UBKUANNTHUOJBC-HNNXBMFYSA-N 2 2 246.398 2.994 20 0 BFADLP CC(C)c1ccccc1C[N@@H+](C)[C@H]1CCC[NH2+]C1 ZINC001235347859 979031520 /nfs/dbraw/zinc/03/15/20/979031520.db2.gz UBKUANNTHUOJBC-HNNXBMFYSA-N 2 2 246.398 2.994 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235724897 979136700 /nfs/dbraw/zinc/13/67/00/979136700.db2.gz KWWPFMZGOYQUTB-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(C2CCC2)cc1 ZINC001235724897 979136704 /nfs/dbraw/zinc/13/67/04/979136704.db2.gz KWWPFMZGOYQUTB-INIZCTEOSA-N 2 2 244.382 2.877 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235905535 979196606 /nfs/dbraw/zinc/19/66/06/979196606.db2.gz MMNUQNWYXNQFAQ-BBRMVZONSA-N 2 2 246.398 2.951 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@@H]([NH3+])CC[C@@H]2C)cc1 ZINC001235905535 979196613 /nfs/dbraw/zinc/19/66/13/979196613.db2.gz MMNUQNWYXNQFAQ-BBRMVZONSA-N 2 2 246.398 2.951 20 0 BFADLP CC(C)c1ccccc1C[N@@H+](CC[NH3+])C(C)C ZINC001235947200 979219000 /nfs/dbraw/zinc/21/90/00/979219000.db2.gz GEUGEOIOVHDFIW-UHFFFAOYSA-N 2 2 234.387 2.979 20 0 BFADLP CC(C)c1ccccc1C[N@H+](CC[NH3+])C(C)C ZINC001235947200 979219011 /nfs/dbraw/zinc/21/90/11/979219011.db2.gz GEUGEOIOVHDFIW-UHFFFAOYSA-N 2 2 234.387 2.979 20 0 BFADLP [NH3+][C@H](Cc1ccccc1)C[N@@H+]1CCCCC12CC2 ZINC001235958821 979223846 /nfs/dbraw/zinc/22/38/46/979223846.db2.gz AZKWKIFQWMRNJI-OAHLLOKOSA-N 2 2 244.382 2.575 20 0 BFADLP [NH3+][C@H](Cc1ccccc1)C[N@H+]1CCCCC12CC2 ZINC001235958821 979223857 /nfs/dbraw/zinc/22/38/57/979223857.db2.gz AZKWKIFQWMRNJI-OAHLLOKOSA-N 2 2 244.382 2.575 20 0 BFADLP CCCc1ccc(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235985115 979268397 /nfs/dbraw/zinc/26/83/97/979268397.db2.gz AZIATVSQIGTLHB-JKSUJKDBSA-N 2 2 244.382 2.562 20 0 BFADLP CCCc1ccc(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235985115 979268403 /nfs/dbraw/zinc/26/84/03/979268403.db2.gz AZIATVSQIGTLHB-JKSUJKDBSA-N 2 2 244.382 2.562 20 0 BFADLP C[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)C[C@@H]1[NH3+] ZINC001236094231 979383305 /nfs/dbraw/zinc/38/33/05/979383305.db2.gz VCAPPCORTZFDPK-WBMJQRKESA-N 2 2 244.382 2.733 20 0 BFADLP C[C@@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)C[C@@H]1[NH3+] ZINC001236094231 979383313 /nfs/dbraw/zinc/38/33/13/979383313.db2.gz VCAPPCORTZFDPK-WBMJQRKESA-N 2 2 244.382 2.733 20 0 BFADLP CC[N@H+](CC[NH2+]C)CCc1ccc(C(C)C)cc1 ZINC001236143308 979410261 /nfs/dbraw/zinc/41/02/61/979410261.db2.gz ISGGNBZDATXVFE-UHFFFAOYSA-N 2 2 248.414 2.894 20 0 BFADLP CC[N@@H+](CC[NH2+]C)CCc1ccc(C(C)C)cc1 ZINC001236143308 979410270 /nfs/dbraw/zinc/41/02/70/979410270.db2.gz ISGGNBZDATXVFE-UHFFFAOYSA-N 2 2 248.414 2.894 20 0 BFADLP C[NH2+]CC[N@@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236189869 979442276 /nfs/dbraw/zinc/44/22/76/979442276.db2.gz QDRKMIPACJSIRI-OAHLLOKOSA-N 2 2 243.354 2.524 20 0 BFADLP C[NH2+]CC[N@H+]1CCC[C@@H]1c1c[nH]c2ccccc21 ZINC001236189869 979442279 /nfs/dbraw/zinc/44/22/79/979442279.db2.gz QDRKMIPACJSIRI-OAHLLOKOSA-N 2 2 243.354 2.524 20 0 BFADLP Cc1cc(C)cc(C[N@@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236198340 979444999 /nfs/dbraw/zinc/44/49/99/979444999.db2.gz BIKCHUREWXTDRX-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP Cc1cc(C)cc(C[N@H+](C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236198340 979445009 /nfs/dbraw/zinc/44/50/09/979445009.db2.gz BIKCHUREWXTDRX-INIZCTEOSA-N 2 2 246.398 2.877 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1C1CC1 ZINC001236868270 979770941 /nfs/dbraw/zinc/77/09/41/979770941.db2.gz JWCMUSAGLPKWMY-AWEZNQCLSA-N 2 2 232.371 2.733 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1C1CC1 ZINC001236868270 979770953 /nfs/dbraw/zinc/77/09/53/979770953.db2.gz JWCMUSAGLPKWMY-AWEZNQCLSA-N 2 2 232.371 2.733 20 0 BFADLP CC[C@H]([NH3+])C[N@H+](C)Cc1cccc(Cl)c1C ZINC001236883767 979776292 /nfs/dbraw/zinc/77/62/92/979776292.db2.gz LMQIKMBFMSLRDO-LBPRGKRZSA-N 2 2 240.778 2.818 20 0 BFADLP CC[C@H]([NH3+])C[N@@H+](C)Cc1cccc(Cl)c1C ZINC001236883767 979776300 /nfs/dbraw/zinc/77/63/00/979776300.db2.gz LMQIKMBFMSLRDO-LBPRGKRZSA-N 2 2 240.778 2.818 20 0 BFADLP C[NH+](C)Cc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC001236905297 979791423 /nfs/dbraw/zinc/79/14/23/979791423.db2.gz YSKZJYTVTREWFY-UHFFFAOYSA-N 2 2 235.718 2.587 20 0 BFADLP C[NH2+]CC[N@@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236951206 979796162 /nfs/dbraw/zinc/79/61/62/979796162.db2.gz WBZLHFWDHMYQPT-INIZCTEOSA-N 2 2 246.398 2.551 20 0 BFADLP C[NH2+]CC[N@H+]1CCC[C@@H](CCc2ccccc2)C1 ZINC001236951206 979796163 /nfs/dbraw/zinc/79/61/63/979796163.db2.gz WBZLHFWDHMYQPT-INIZCTEOSA-N 2 2 246.398 2.551 20 0 BFADLP c1[nH+]c(C2C[NH2+]C2)c2cc(-c3ccccc3)ccn12 ZINC001239467058 980594313 /nfs/dbraw/zinc/59/43/13/980594313.db2.gz BOFNMZSAPNBIEG-UHFFFAOYSA-N 2 2 249.317 2.688 20 0 BFADLP c1[nH+]c(C2C[NH2+]C2)c2cc(C3=CCCC3)ccn12 ZINC001239786167 980918536 /nfs/dbraw/zinc/91/85/36/980918536.db2.gz GHIWLOIWRRCOIS-UHFFFAOYSA-N 2 2 239.322 2.588 20 0 BFADLP [NH3+][C@H]1CCc2c1cccc2-c1ccc2[nH+]ccn2c1 ZINC001240218840 981168987 /nfs/dbraw/zinc/16/89/87/981168987.db2.gz LXHRXFWCYCAYDI-HNNXBMFYSA-N 2 2 249.317 2.947 20 0 BFADLP c1cn2ccc(-c3ccc4c(c3)C[NH2+]C4)cc2[nH+]1 ZINC001240509334 981434439 /nfs/dbraw/zinc/43/44/39/981434439.db2.gz WMUKBAYUSARNHZ-UHFFFAOYSA-N 2 2 235.290 2.605 20 0 BFADLP [NH3+]CCc1ccc(-c2ccn3cc[nH+]c3c2)cc1 ZINC001240511314 981436779 /nfs/dbraw/zinc/43/67/79/981436779.db2.gz DHOXGFWKWCODAG-UHFFFAOYSA-N 2 2 237.306 2.503 20 0 BFADLP [NH3+]CCc1ccccc1-c1ccn2cc[nH+]c2c1 ZINC001240512772 981438372 /nfs/dbraw/zinc/43/83/72/981438372.db2.gz ZPXZFFBBVRTYMH-UHFFFAOYSA-N 2 2 237.306 2.503 20 0 BFADLP Cc1csc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205815812 982623368 /nfs/dbraw/zinc/62/33/68/982623368.db2.gz IAGLKWHTQXGAST-CMPLNLGQSA-N 2 2 238.400 2.616 20 0 BFADLP Cc1csc(C[N@H+]2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205815812 982623372 /nfs/dbraw/zinc/62/33/72/982623372.db2.gz IAGLKWHTQXGAST-CMPLNLGQSA-N 2 2 238.400 2.616 20 0 BFADLP CCc1[nH]c(C[N@@H+]2CC3CCC2CC3)c(C)[nH+]1 ZINC001203246755 983198869 /nfs/dbraw/zinc/19/88/69/983198869.db2.gz LZDKUJMSSSRCMC-UHFFFAOYSA-N 2 2 233.359 2.655 20 0 BFADLP CCc1[nH]c(C[N@H+]2CC3CCC2CC3)c(C)[nH+]1 ZINC001203246755 983198872 /nfs/dbraw/zinc/19/88/72/983198872.db2.gz LZDKUJMSSSRCMC-UHFFFAOYSA-N 2 2 233.359 2.655 20 0 BFADLP CC[N@H+](C[C@@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC001201416908 983217478 /nfs/dbraw/zinc/21/74/78/983217478.db2.gz CCYVPJNNHGDCJG-CQSZACIVSA-N 2 2 236.403 2.759 20 0 BFADLP CC[N@@H+](C[C@@H]1CC=CCC1)C1CC[NH+](C)CC1 ZINC001201416908 983217484 /nfs/dbraw/zinc/21/74/84/983217484.db2.gz CCYVPJNNHGDCJG-CQSZACIVSA-N 2 2 236.403 2.759 20 0 BFADLP Cc1c[nH+]ccc1O[C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001201447642 983251357 /nfs/dbraw/zinc/25/13/57/983251357.db2.gz RLLQEUMXNGXRDW-ZDUSSCGKSA-N 2 2 248.370 2.889 20 0 BFADLP Cc1c[nH+]ccc1O[C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001201447642 983251368 /nfs/dbraw/zinc/25/13/68/983251368.db2.gz RLLQEUMXNGXRDW-ZDUSSCGKSA-N 2 2 248.370 2.889 20 0 BFADLP C[C@@H]1CCC[N@@H+]1CC[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001200837786 983392735 /nfs/dbraw/zinc/39/27/35/983392735.db2.gz GVAWXAJGICVWAE-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP C[C@@H]1CCC[N@H+]1CC[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001200837786 983392745 /nfs/dbraw/zinc/39/27/45/983392745.db2.gz GVAWXAJGICVWAE-BARDWOONSA-N 2 2 238.419 2.885 20 0 BFADLP CCC/C=C/c1ccn2c[nH+]c(C3C[NH2+]C3)c2c1 ZINC001242255177 983478901 /nfs/dbraw/zinc/47/89/01/983478901.db2.gz RVBFDNXAFNFTTR-SNAWJCMRSA-N 2 2 241.338 2.834 20 0 BFADLP CC(C)[N@H+](CC1CCCC1)C1CC[NH+](C)CC1 ZINC001202190220 983592053 /nfs/dbraw/zinc/59/20/53/983592053.db2.gz LTGSBXRVGFGZRP-UHFFFAOYSA-N 2 2 238.419 2.981 20 0 BFADLP CC(C)[N@@H+](CC1CCCC1)C1CC[NH+](C)CC1 ZINC001202190220 983592062 /nfs/dbraw/zinc/59/20/62/983592062.db2.gz LTGSBXRVGFGZRP-UHFFFAOYSA-N 2 2 238.419 2.981 20 0 BFADLP Cn1c[nH+]cc1-c1ccc([C@H]2CC[N@H+](C)C2)cc1 ZINC001243070977 984498136 /nfs/dbraw/zinc/49/81/36/984498136.db2.gz DNSNDUFUWDJXJD-AWEZNQCLSA-N 2 2 241.338 2.506 20 0 BFADLP Cn1c[nH+]cc1-c1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001243070977 984498138 /nfs/dbraw/zinc/49/81/38/984498138.db2.gz DNSNDUFUWDJXJD-AWEZNQCLSA-N 2 2 241.338 2.506 20 0 BFADLP CCc1ccc(C[NH2+]C[C@@H]2CCCCC[NH2+]2)cc1 ZINC001578259959 984899734 /nfs/dbraw/zinc/89/97/34/984899734.db2.gz TXVDLVXIWWFVTP-INIZCTEOSA-N 2 2 246.398 2.871 20 0 BFADLP CCc1ccc(C[NH2+][C@@](C)(C[NH3+])CC(C)C)o1 ZINC001578259697 984902855 /nfs/dbraw/zinc/90/28/55/984902855.db2.gz FWROOGCUXRDZKI-CQSZACIVSA-N 2 2 238.375 2.695 20 0 BFADLP CC[C@H](C)[NH+]1CCC(Oc2cc[nH+]cc2)CC1 ZINC001257437278 985009836 /nfs/dbraw/zinc/00/98/36/985009836.db2.gz GVOGGNGNZXDXDZ-LBPRGKRZSA-N 2 2 234.343 2.723 20 0 BFADLP CC(C)([NH3+])c1cccc(-c2ccc[nH+]c2N)c1 ZINC001243477522 985034746 /nfs/dbraw/zinc/03/47/46/985034746.db2.gz RVZDALUEBIFOEW-UHFFFAOYSA-N 2 2 227.311 2.525 20 0 BFADLP Cc1cc(/C=C/C2CC[NH2+]CC2)c2[nH+]ccn2c1 ZINC001243896875 985583103 /nfs/dbraw/zinc/58/31/03/985583103.db2.gz SAXASNUEPYECHB-NSCUHMNNSA-N 2 2 241.338 2.656 20 0 BFADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001258609831 985985127 /nfs/dbraw/zinc/98/51/27/985985127.db2.gz ZTJCVARZDJUZNO-RDBSUJKOSA-N 2 2 236.403 2.591 20 0 BFADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001258609831 985985147 /nfs/dbraw/zinc/98/51/47/985985147.db2.gz ZTJCVARZDJUZNO-RDBSUJKOSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001258609831 985985161 /nfs/dbraw/zinc/98/51/61/985985161.db2.gz ZTJCVARZDJUZNO-RDBSUJKOSA-N 2 2 236.403 2.591 20 0 BFADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCC(C)(C)C3)C[C@@H]21 ZINC001258609831 985985185 /nfs/dbraw/zinc/98/51/85/985985185.db2.gz ZTJCVARZDJUZNO-RDBSUJKOSA-N 2 2 236.403 2.591 20 0 BFADLP CC[C@@H](C)C[C@@H](CC)n1cc[nH+]c1CC[NH3+] ZINC001258781223 986182131 /nfs/dbraw/zinc/18/21/31/986182131.db2.gz VPBSRFCYVZNIMG-VXGBXAGGSA-N 2 2 223.364 2.772 20 0 BFADLP CC[C@H](C)C[C@H](CC)n1cc[nH+]c1CC[NH3+] ZINC001258781220 986184614 /nfs/dbraw/zinc/18/46/14/986184614.db2.gz VPBSRFCYVZNIMG-RYUDHWBXSA-N 2 2 223.364 2.772 20 0 BFADLP C[C@H](C[NH2+]C1CC(C)(C)C1)[NH+]1CCCCC1 ZINC000381475994 986301766 /nfs/dbraw/zinc/30/17/66/986301766.db2.gz QRLYRBHEDMCJQX-GFCCVEGCSA-N 2 2 224.392 2.639 20 0 BFADLP CC[NH+](CC)CCC[C@@H](C)[NH+]1CC(C)(F)C1 ZINC001258907326 986310235 /nfs/dbraw/zinc/31/02/35/986310235.db2.gz ISTZZCMNZJSHRJ-GFCCVEGCSA-N 2 2 230.371 2.541 20 0 BFADLP Cc1cc(C)cc(CC[NH2+]C[C@@H]2CCC[N@H+]2C)c1 ZINC001462474861 986401047 /nfs/dbraw/zinc/40/10/47/986401047.db2.gz FBLFGKFAFGBDJG-INIZCTEOSA-N 2 2 246.398 2.530 20 0 BFADLP Cc1cc(C)cc(CC[NH2+]C[C@@H]2CCC[N@@H+]2C)c1 ZINC001462474861 986401055 /nfs/dbraw/zinc/40/10/55/986401055.db2.gz FBLFGKFAFGBDJG-INIZCTEOSA-N 2 2 246.398 2.530 20 0 BFADLP Cc1cc(-c2ccccc2[C@H](C)[NH3+])c[nH+]c1N ZINC001245540675 986924616 /nfs/dbraw/zinc/92/46/16/986924616.db2.gz XVXCPLAGSOIOEX-JTQLQIEISA-N 2 2 227.311 2.659 20 0 BFADLP Cc1cc(-c2cccc3c2CC[C@H]3[NH3+])c[nH+]c1N ZINC001245539615 986926757 /nfs/dbraw/zinc/92/67/57/986926757.db2.gz OAYJLOVQMJPYAK-CQSZACIVSA-N 2 2 239.322 2.585 20 0 BFADLP Cc1cc(-c2ccc([C@H](C)[NH3+])cc2)c[nH+]c1N ZINC001245539190 986927329 /nfs/dbraw/zinc/92/73/29/986927329.db2.gz UEIQKTHABHQXLY-JTQLQIEISA-N 2 2 227.311 2.659 20 0 BFADLP C[N@@H+]1CCC[C@H]2C[NH+](C3CCCCCC3)C[C@H]21 ZINC001255894027 987078575 /nfs/dbraw/zinc/07/85/75/987078575.db2.gz QZGIPACVGSEAOC-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP C[N@H+]1CCC[C@H]2C[NH+](C3CCCCCC3)C[C@H]21 ZINC001255894027 987078586 /nfs/dbraw/zinc/07/85/86/987078586.db2.gz QZGIPACVGSEAOC-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@@H+](C3CCCCCC3)C[C@H]21 ZINC001255894027 987078607 /nfs/dbraw/zinc/07/86/07/987078607.db2.gz QZGIPACVGSEAOC-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP C[NH+]1CCC[C@H]2C[N@H+](C3CCCCCC3)C[C@H]21 ZINC001255894027 987078619 /nfs/dbraw/zinc/07/86/19/987078619.db2.gz QZGIPACVGSEAOC-DZGCQCFKSA-N 2 2 236.403 2.735 20 0 BFADLP COc1cc(C)[nH+]cc1-c1ccc2c[nH+]cn2c1 ZINC001245895683 987101160 /nfs/dbraw/zinc/10/11/60/987101160.db2.gz DVDJRRAHBRFEBQ-UHFFFAOYSA-N 2 2 239.278 2.713 20 0 BFADLP c1cn2c(cccc2-c2ccc3c[nH+]cn3c2)[nH+]1 ZINC001245896065 987113801 /nfs/dbraw/zinc/11/38/01/987113801.db2.gz IMESWELMSRLCQV-UHFFFAOYSA-N 2 2 234.262 2.649 20 0 BFADLP C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C[NH2+]1 ZINC001246076141 987363870 /nfs/dbraw/zinc/36/38/70/987363870.db2.gz AUXJYHUBPIRTGA-JGGQBBKZSA-N 2 2 244.382 2.794 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C[C@@H]1F ZINC001246090711 987398325 /nfs/dbraw/zinc/39/83/25/987398325.db2.gz GVAQXIIFFQTPMZ-CRWXNKLISA-N 2 2 244.398 2.737 20 0 BFADLP CCC[C@H](C)CC[C@@H](C)[NH2+]C[C@@H]1C[C@@H](F)C[NH2+]1 ZINC001246115452 987456107 /nfs/dbraw/zinc/45/61/07/987456107.db2.gz YUYPIZXOAXXXRW-DGAVXFQQSA-N 2 2 244.398 2.881 20 0 BFADLP CCC[C@H](CC)[NH2+]CC[NH2+]Cc1ccccc1 ZINC001246167835 987532217 /nfs/dbraw/zinc/53/22/17/987532217.db2.gz FBRNFXGKJQBNHG-HNNXBMFYSA-N 2 2 234.387 2.945 20 0 BFADLP c1ccc(C2([NH2+][C@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC001246180117 987553158 /nfs/dbraw/zinc/55/31/58/987553158.db2.gz PUEIQEVWZUZCGS-HNNXBMFYSA-N 2 2 244.382 2.798 20 0 BFADLP c1ccc(C2([NH2+][C@@H]3CCC[NH2+]C3)CCCC2)cc1 ZINC001246180118 987557218 /nfs/dbraw/zinc/55/72/18/987557218.db2.gz PUEIQEVWZUZCGS-OAHLLOKOSA-N 2 2 244.382 2.798 20 0 BFADLP CCCC[C@@H](CC(C)C)[NH2+][C@@H]1CC[NH2+]C[C@@H]1F ZINC001246206418 987604384 /nfs/dbraw/zinc/60/43/84/987604384.db2.gz OFYRSPXINLUIDA-MELADBBJSA-N 2 2 244.398 2.881 20 0 BFADLP c1cc2cc(C[NH2+][C@H]3CCCC[NH2+]C3)ccc2o1 ZINC001246205791 987604566 /nfs/dbraw/zinc/60/45/66/987604566.db2.gz VOWNLZQCDXSVOA-AWEZNQCLSA-N 2 2 244.338 2.665 20 0 BFADLP CC(C)C[C@H](C)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C[C@H]1F ZINC001246214310 987610925 /nfs/dbraw/zinc/61/09/25/987610925.db2.gz GVAQXIIFFQTPMZ-REWJHTLYSA-N 2 2 244.398 2.737 20 0 BFADLP CCC[C@H](C)CC[C@@H](C)[NH2+][C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001246220380 987617897 /nfs/dbraw/zinc/61/78/97/987617897.db2.gz JOSDHQCYLYLZJX-VYDRJRHOSA-N 2 2 238.419 2.789 20 0 BFADLP CCC[C@@H](C)CC[C@H](C)[NH2+]C[C@@H]1CC[NH2+]1 ZINC001246219090 987617935 /nfs/dbraw/zinc/61/79/35/987617935.db2.gz XDVQPXAHVUUWIR-AGIUHOORSA-N 2 2 212.381 2.543 20 0 BFADLP Cc1ccc(C2([NH2+][C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC001246232580 987628715 /nfs/dbraw/zinc/62/87/15/987628715.db2.gz XNGHYJKFVDUKEH-OAHLLOKOSA-N 2 2 244.382 2.716 20 0 BFADLP C=Cc1ccc(C[NH2+][C@@H]2CCCC[NH2+]C2)cc1 ZINC001246235853 987634221 /nfs/dbraw/zinc/63/42/21/987634221.db2.gz MFFLWXCVKADYKH-OAHLLOKOSA-N 2 2 230.355 2.561 20 0 BFADLP C=Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC001246238991 987638643 /nfs/dbraw/zinc/63/86/43/987638643.db2.gz XBMCRIMYXBBYMT-DOMZBBRYSA-N 2 2 230.355 2.560 20 0 BFADLP Cc1ccc(C(C)(C)[NH2+][C@@H]2C[NH2+][C@@H](C)C2)cc1 ZINC001246240287 987642506 /nfs/dbraw/zinc/64/25/06/987642506.db2.gz QWGXQBZAABNMLG-JSGCOSHPSA-N 2 2 232.371 2.570 20 0 BFADLP CC[C@@H]([NH2+][C@H]1C[NH2+][C@@H](C)C1)c1cccc(C)c1 ZINC001246262616 987660196 /nfs/dbraw/zinc/66/01/96/987660196.db2.gz BPDOVUWHTNQCQP-NWANDNLSSA-N 2 2 232.371 2.786 20 0 BFADLP C[C@H]1C[C@H]([NH2+]C2(c3ccccc3F)CC2)CC[NH2+]1 ZINC001246298886 987692526 /nfs/dbraw/zinc/69/25/26/987692526.db2.gz DBSYDHOBTCRHMZ-NWDGAFQWSA-N 2 2 248.345 2.545 20 0 BFADLP c1ccc(C2([NH2+][C@H]3CCCC[NH2+]C3)CCC2)cc1 ZINC001246314645 987719297 /nfs/dbraw/zinc/71/92/97/987719297.db2.gz YCSSCWIJIKUYRK-HNNXBMFYSA-N 2 2 244.382 2.798 20 0 BFADLP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[NH2+][C@@H](C)C1 ZINC001246317406 987726221 /nfs/dbraw/zinc/72/62/21/987726221.db2.gz NNBKBZRMQFOBER-IHRRRGAJSA-N 2 2 232.371 2.704 20 0 BFADLP CCCCCC[C@@H](C)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246335235 987742543 /nfs/dbraw/zinc/74/25/43/987742543.db2.gz HEYPWIOABLGFGO-OLZOCXBDSA-N 2 2 244.448 2.640 20 0 BFADLP CCCC[C@@H](CCC)[NH2+]C[C@H]1CSCC[NH2+]1 ZINC001246337039 987745732 /nfs/dbraw/zinc/74/57/32/987745732.db2.gz QGEJPJXZZYOOMH-OLZOCXBDSA-N 2 2 244.448 2.640 20 0 BFADLP Fc1cccc([C@H]([NH2+][C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC001246397807 987782395 /nfs/dbraw/zinc/78/23/95/987782395.db2.gz CGVWOGXHRBMJSX-LSDHHAIUSA-N 2 2 248.345 2.618 20 0 BFADLP Cc1ccccc1C(C)(C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246436937 987799578 /nfs/dbraw/zinc/79/95/78/987799578.db2.gz BTRGOSHRTSZNAX-KGLIPLIRSA-N 2 2 246.398 2.960 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@@H+]2CCC(C)(C)C2)CC1 ZINC001474745562 987817182 /nfs/dbraw/zinc/81/71/82/987817182.db2.gz SAHRHCVUCJXGHL-CQSZACIVSA-N 2 2 236.403 2.807 20 0 BFADLP CC1=CC[C@@H]([NH2+]CC[N@H+]2CCC(C)(C)C2)CC1 ZINC001474745562 987817186 /nfs/dbraw/zinc/81/71/86/987817186.db2.gz SAHRHCVUCJXGHL-CQSZACIVSA-N 2 2 236.403 2.807 20 0 BFADLP CC(C)[PH+](CC[NH2+][C@@H]1CCC[NH2+]C1)C(C)C ZINC001246473446 987830564 /nfs/dbraw/zinc/83/05/64/987830564.db2.gz ZCNRBPGPIFKETK-CYBMUJFWSA-N 3 2 244.363 2.627 20 0 BFADLP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[NH2+][C@H](C)C1)CCC2 ZINC001246498904 987852808 /nfs/dbraw/zinc/85/28/08/987852808.db2.gz KQJIDBATTRVFRP-IVMMDQJWSA-N 2 2 244.382 2.712 20 0 BFADLP [NH3+]C[C@@H]([NH2+]C1CCC2(CC2)CC1)c1ccccc1 ZINC001246506771 987860470 /nfs/dbraw/zinc/86/04/70/987860470.db2.gz JYXJVNKYULYNIB-OAHLLOKOSA-N 2 2 244.382 2.999 20 0 BFADLP CC(C)[N@H+](Cc1ccccc1)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246521369 987867975 /nfs/dbraw/zinc/86/79/75/987867975.db2.gz OZSPDIZXGJTCTR-DZGCQCFKSA-N 2 2 232.371 2.647 20 0 BFADLP CC(C)[N@@H+](Cc1ccccc1)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246521369 987867978 /nfs/dbraw/zinc/86/79/78/987867978.db2.gz OZSPDIZXGJTCTR-DZGCQCFKSA-N 2 2 232.371 2.647 20 0 BFADLP C[C@@H]1C[N@@H+]([C@H]2CCCC[NH2+]C2)Cc2ccccc21 ZINC001246549029 987939360 /nfs/dbraw/zinc/93/93/60/987939360.db2.gz PIAIZUOXNVGJIU-HIFRSBDPSA-N 2 2 244.382 2.748 20 0 BFADLP C[C@@H]1C[N@H+]([C@H]2CCCC[NH2+]C2)Cc2ccccc21 ZINC001246549029 987939368 /nfs/dbraw/zinc/93/93/68/987939368.db2.gz PIAIZUOXNVGJIU-HIFRSBDPSA-N 2 2 244.382 2.748 20 0 BFADLP C[NH2+][C@@H](C)CC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001118121222 988023180 /nfs/dbraw/zinc/02/31/80/988023180.db2.gz CHBQAKNUHPNWQZ-UWVGGRQHSA-N 2 2 242.313 2.613 20 0 BFADLP C[C@H]1C[NH2+]CCC[N@@H+]1[C@H]1CCCC(C)(C)C1 ZINC001246568829 988044083 /nfs/dbraw/zinc/04/40/83/988044083.db2.gz BFHRCRJERLAVSJ-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1C[NH2+]CCC[N@H+]1[C@H]1CCCC(C)(C)C1 ZINC001246568829 988044105 /nfs/dbraw/zinc/04/41/05/988044105.db2.gz BFHRCRJERLAVSJ-STQMWFEESA-N 2 2 224.392 2.639 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246662020 988399305 /nfs/dbraw/zinc/39/93/05/988399305.db2.gz VDFNNNVFGSFRNV-XDQVBPFNSA-N 2 2 224.392 2.624 20 0 BFADLP CC[C@H](C)C[C@H](CC)[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001246662020 988399311 /nfs/dbraw/zinc/39/93/11/988399311.db2.gz VDFNNNVFGSFRNV-XDQVBPFNSA-N 2 2 224.392 2.624 20 0 BFADLP CCC[N@H+](Cc1ccccc1)[C@H]1C[NH2+][C@H](C)C1 ZINC001246779861 988463118 /nfs/dbraw/zinc/46/31/18/988463118.db2.gz VFQIEOGVGCNPHS-UKRRQHHQSA-N 2 2 232.371 2.649 20 0 BFADLP CCC[N@@H+](Cc1ccccc1)[C@H]1C[NH2+][C@H](C)C1 ZINC001246779861 988463123 /nfs/dbraw/zinc/46/31/23/988463123.db2.gz VFQIEOGVGCNPHS-UKRRQHHQSA-N 2 2 232.371 2.649 20 0 BFADLP CC(C)C[C@H](C)C[N@@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001323669114 988577424 /nfs/dbraw/zinc/57/74/24/988577424.db2.gz QHHCAGJJXJEVKJ-LSDHHAIUSA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@H](C)C[N@H+]1CCC[NH+]2CCC[C@@H]2C1 ZINC001323669114 988577432 /nfs/dbraw/zinc/57/74/32/988577432.db2.gz QHHCAGJJXJEVKJ-LSDHHAIUSA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001323669114 988577440 /nfs/dbraw/zinc/57/74/40/988577440.db2.gz QHHCAGJJXJEVKJ-LSDHHAIUSA-N 2 2 238.419 2.839 20 0 BFADLP CC(C)C[C@H](C)C[NH+]1CCC[N@H+]2CCC[C@@H]2C1 ZINC001323669114 988577446 /nfs/dbraw/zinc/57/74/46/988577446.db2.gz QHHCAGJJXJEVKJ-LSDHHAIUSA-N 2 2 238.419 2.839 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1C[NH2+][C@H](C)C1 ZINC001246866528 988618095 /nfs/dbraw/zinc/61/80/95/988618095.db2.gz KSMSMWTYCUBJEJ-IVMMDQJWSA-N 2 2 244.382 2.746 20 0 BFADLP CC[C@@H]1c2ccccc2CC[N@H+]1[C@@H]1C[NH2+][C@H](C)C1 ZINC001246866528 988618113 /nfs/dbraw/zinc/61/81/13/988618113.db2.gz KSMSMWTYCUBJEJ-IVMMDQJWSA-N 2 2 244.382 2.746 20 0 BFADLP C[C@@H]1Cc2ccccc2C[N@@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246868346 988630959 /nfs/dbraw/zinc/63/09/59/988630959.db2.gz LQAIZJZNDBGBBO-CJNGLKHVSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@@H]1Cc2ccccc2C[N@H+]1[C@H]1CCCC[NH2+]C1 ZINC001246868346 988630966 /nfs/dbraw/zinc/63/09/66/988630966.db2.gz LQAIZJZNDBGBBO-CJNGLKHVSA-N 2 2 244.382 2.575 20 0 BFADLP C[C@H]1C[C@@H]([N@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246957765 988789620 /nfs/dbraw/zinc/78/96/20/988789620.db2.gz CMFWZMUJBALQHP-XJKSGUPXSA-N 2 2 244.382 2.792 20 0 BFADLP C[C@H]1C[C@@H]([N@@H+](Cc2ccccc2)C2CCC2)C[NH2+]1 ZINC001246957765 988789631 /nfs/dbraw/zinc/78/96/31/988789631.db2.gz CMFWZMUJBALQHP-XJKSGUPXSA-N 2 2 244.382 2.792 20 0 BFADLP C[NH2+][C@H](C)CC[NH2+]Cc1ccc(F)cc1Cl ZINC001325627661 989222232 /nfs/dbraw/zinc/22/22/32/989222232.db2.gz VEXCQNRMDYUNEO-SECBINFHSA-N 2 2 244.741 2.567 20 0 BFADLP CSC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C ZINC001258314086 991240810 /nfs/dbraw/zinc/24/08/10/991240810.db2.gz AUMHVAFLOGEACL-NWDGAFQWSA-N 2 2 244.448 2.590 20 0 BFADLP CSC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1C ZINC001258314086 991240802 /nfs/dbraw/zinc/24/08/02/991240802.db2.gz AUMHVAFLOGEACL-NWDGAFQWSA-N 2 2 244.448 2.590 20 0 BFADLP CCCCC[C@@H](CC)[NH2+]CCn1cc[nH+]c1 ZINC001258429787 991360265 /nfs/dbraw/zinc/36/02/65/991360265.db2.gz CVBLQLZBAVLZDU-CYBMUJFWSA-N 2 2 223.364 2.832 20 0 BFADLP CCCCC[C@@H](CC)[NH2+]CCc1[nH+]ccn1C ZINC001258437386 991375645 /nfs/dbraw/zinc/37/56/45/991375645.db2.gz ZGYGLTXLROAOGY-CYBMUJFWSA-N 2 2 237.391 2.911 20 0 BFADLP CCCCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001560232751 991431386 /nfs/dbraw/zinc/43/13/86/991431386.db2.gz HDBDATUMKVNLLE-UHFFFAOYSA-N 2 2 235.375 2.790 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC001560536130 991497250 /nfs/dbraw/zinc/49/72/50/991497250.db2.gz YOYHHCDYTWVPSW-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC001560536130 991497253 /nfs/dbraw/zinc/49/72/53/991497253.db2.gz YOYHHCDYTWVPSW-BFHYXJOUSA-N 2 2 224.392 2.639 20 0 BFADLP CC1(C)CC[C@@H]([NH2+]CCOc2cc[nH+]cc2)C1 ZINC001258599488 991501398 /nfs/dbraw/zinc/50/13/98/991501398.db2.gz BVSOOVFITDBLMZ-GFCCVEGCSA-N 2 2 234.343 2.629 20 0 BFADLP C[C@H]1C[C@H](n2cc[nH+]c2CC[NH3+])CC(C)(C)C1 ZINC001258686822 991618610 /nfs/dbraw/zinc/61/86/10/991618610.db2.gz KLQCBDITJQJCEG-RYUDHWBXSA-N 2 2 235.375 2.772 20 0 BFADLP CCCC[C@@H](CCC)n1cc[nH+]c1CC[NH3+] ZINC001258752129 991694178 /nfs/dbraw/zinc/69/41/78/991694178.db2.gz ABJIYHZOQQIKCW-GFCCVEGCSA-N 2 2 223.364 2.916 20 0 BFADLP CC(C)C[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC001258813927 991825345 /nfs/dbraw/zinc/82/53/45/991825345.db2.gz MGHIBFWRYILUOZ-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP CC(C)C[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C)C2)C1 ZINC001258813927 991825353 /nfs/dbraw/zinc/82/53/53/991825353.db2.gz MGHIBFWRYILUOZ-ILXRZTDVSA-N 2 2 238.419 2.885 20 0 BFADLP Cc1cc[nH+]c(N[C@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001319623727 991911676 /nfs/dbraw/zinc/91/16/76/991911676.db2.gz XDDGYHJZCQDTPL-QWHCGFSZSA-N 2 2 233.359 2.675 20 0 BFADLP CC(C)CC(CC(C)C)[NH2+]CC1C[NH+](C)C1 ZINC000379476863 993246823 /nfs/dbraw/zinc/24/68/23/993246823.db2.gz WJGRGAMSKLDUKO-UHFFFAOYSA-N 2 2 226.408 2.598 20 0 BFADLP CC1(C)CCCC[C@H]1[NH2+][C@@H](CC[NH3+])C(F)F ZINC001576435373 993308003 /nfs/dbraw/zinc/30/80/03/993308003.db2.gz YWCLBGYGTFAPBA-VHSXEESVSA-N 2 2 234.334 2.527 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000381611054 993410141 /nfs/dbraw/zinc/41/01/41/993410141.db2.gz SISQLOWEDDYRJD-HZSPNIEDSA-N 2 2 224.392 2.637 20 0 BFADLP CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C(C)C)C2)C1 ZINC000381611054 993410144 /nfs/dbraw/zinc/41/01/44/993410144.db2.gz SISQLOWEDDYRJD-HZSPNIEDSA-N 2 2 224.392 2.637 20 0 BFADLP Cc1ccc(C[N@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1C ZINC000381615781 993411389 /nfs/dbraw/zinc/41/13/89/993411389.db2.gz QFDHRMHNOMOCQR-HIFRSBDPSA-N 2 2 232.371 2.615 20 0 BFADLP Cc1ccc(C[N@@H+]2CCC[C@H]([NH3+])[C@H]2C)cc1C ZINC000381615781 993411391 /nfs/dbraw/zinc/41/13/91/993411391.db2.gz QFDHRMHNOMOCQR-HIFRSBDPSA-N 2 2 232.371 2.615 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC000385308737 993656684 /nfs/dbraw/zinc/65/66/84/993656684.db2.gz URYWFMDJDHTCQQ-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP CC[C@H](C[C@@H](C)CC)[N@H+]1CC[NH2+]C[C@H](C)C1 ZINC000385308737 993656685 /nfs/dbraw/zinc/65/66/85/993656685.db2.gz URYWFMDJDHTCQQ-MELADBBJSA-N 2 2 226.408 2.743 20 0 BFADLP Cc1cc(C)c(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1C ZINC000702667005 994032213 /nfs/dbraw/zinc/03/22/13/994032213.db2.gz VGJNTAREHQHZQF-HIFRSBDPSA-N 2 2 232.371 2.533 20 0 BFADLP Cc1cc(C)c(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)cc1C ZINC000702667005 994032221 /nfs/dbraw/zinc/03/22/21/994032221.db2.gz VGJNTAREHQHZQF-HIFRSBDPSA-N 2 2 232.371 2.533 20 0 BFADLP CC(C)=CCC[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001308165372 995580028 /nfs/dbraw/zinc/58/00/28/995580028.db2.gz ABMMPQQLWZIEKU-UHFFFAOYSA-N 2 2 247.386 2.956 20 0 BFADLP