smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC(CC)(C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000062151986 168324654 /nfs/dbraw/zinc/32/46/54/168324654.db2.gz FFCYXXDRXVCEJL-LBPRGKRZSA-N 2 0 220.360 2.855 50 0 BFAARP [NH3+]C[C@H](c1ccc(F)cc1)N1CCCCCC1 ZINC000083426017 398281771 /nfs/dbraw/zinc/28/17/71/398281771.db2.gz RWUVPSINUTZQTN-CQSZACIVSA-N 2 0 236.334 2.702 50 0 BFAARP CC[NH+]1CCC[C@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000120519252 350929917 /nfs/dbraw/zinc/92/99/17/350929917.db2.gz QHASYNVYRJRCPZ-LSDHHAIUSA-N 2 0 236.403 2.664 50 0 BFAARP CC[NH+](CC)CCCSCC[NH+](CC)CC ZINC000003200716 356362523 /nfs/dbraw/zinc/36/25/23/356362523.db2.gz BAENCADOBIXALK-UHFFFAOYSA-N 2 0 246.464 2.793 50 0 BFAARP CCC[NH+](CCC)CC[C@H]1CCCC[NH2+]1 ZINC000034972533 169148016 /nfs/dbraw/zinc/14/80/16/169148016.db2.gz OMOJDXHBJLPQIJ-CYBMUJFWSA-N 2 0 212.381 2.641 50 0 BFAARP CCCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000032919747 385193042 /nfs/dbraw/zinc/19/30/42/385193042.db2.gz HGBNEDDSLZOPLJ-UHFFFAOYSA-N 2 0 220.360 2.638 50 0 BFAARP CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000245204508 169917426 /nfs/dbraw/zinc/91/74/26/169917426.db2.gz CMFAWHXFZMVYBW-SHTZXODSSA-N 2 0 232.371 2.778 50 0 BFAARP CC[N@@H+]1CC[C@@H]([NH2+]CCCC(C)C)[C@H](C)C1 ZINC000095967203 170013123 /nfs/dbraw/zinc/01/31/23/170013123.db2.gz PKAFQOIFROJWGF-ZIAGYGMSSA-N 2 0 226.408 2.743 50 0 BFAARP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC000095967109 170020785 /nfs/dbraw/zinc/02/07/85/170020785.db2.gz BNVNLKYMMXQHAV-ZBFHGGJFSA-N 2 0 246.398 2.549 50 0 BFAARP C[NH2+]CC1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000063158907 173338693 /nfs/dbraw/zinc/33/86/93/173338693.db2.gz PNOKZLPJPAHUHS-UHFFFAOYSA-N 2 0 246.398 2.735 50 0 BFAARP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CCCC1 ZINC000019912906 176072277 /nfs/dbraw/zinc/07/22/77/176072277.db2.gz RIISKPJSWRWGHM-CYBMUJFWSA-N 2 0 224.392 2.783 50 0 BFAARP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH3+])cc2)C1 ZINC000021952065 176361936 /nfs/dbraw/zinc/36/19/36/176361936.db2.gz YMVFPSOLZLYHIV-CHWSQXEVSA-N 2 0 232.371 2.623 50 0 BFAARP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000021951553 177077265 /nfs/dbraw/zinc/07/72/65/177077265.db2.gz ISQZMUGCUSTZKP-LBPRGKRZSA-N 2 0 218.344 2.520 50 0 BFAARP CCCC[N@@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000067513984 632578918 /nfs/dbraw/zinc/57/89/18/632578918.db2.gz RVXNXRWTMIALHA-UHFFFAOYSA-N 2 0 224.392 2.642 50 0 BFAARP CC[C@H]1C=CC[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC000952968451 644446226 /nfs/dbraw/zinc/44/62/26/644446226.db2.gz GZHDUEWHPABEOV-AWEZNQCLSA-N 2 0 248.414 2.949 50 0 BFAARP C1CC[NH+](C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000000317407 342683321 /nfs/dbraw/zinc/68/33/21/342683321.db2.gz MBDMPDVVPFZYRP-UHFFFAOYSA-N 2 0 236.403 2.879 50 0 BFAARP CC[NH+]1CCC([NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000000757071 343138659 /nfs/dbraw/zinc/13/86/59/343138659.db2.gz TVWYWFMGRXMJJB-CQSZACIVSA-N 2 0 246.398 2.864 50 0 BFAARP COC(=N)CCCCCCC(=N)OC ZINC000012358642 187250572 /nfs/dbraw/zinc/25/05/72/187250572.db2.gz FRTGEIHSCHXMTI-UHFFFAOYSA-N 2 0 200.282 2.574 50 0 in-vitro BFAARP C[N@H+](CC[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000034972503 343281872 /nfs/dbraw/zinc/28/18/72/343281872.db2.gz PTKLZJHYEPWSHC-ZDUSSCGKSA-N 2 0 224.392 2.783 50 0 BFAARP CC(C)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000084544260 345924777 /nfs/dbraw/zinc/92/47/77/345924777.db2.gz BYRDXYLSWPKUQY-UHFFFAOYSA-N 2 0 224.392 2.639 50 0 BFAARP Cc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000072147873 179077427 /nfs/dbraw/zinc/07/74/27/179077427.db2.gz ZHEYJQMEURTKRJ-MRXNPFEDSA-N 2 0 244.382 2.571 50 0 BFAARP CCCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000002499065 346509673 /nfs/dbraw/zinc/50/96/73/346509673.db2.gz ZFXGXZOUTWNKJG-UHFFFAOYSA-N 2 0 212.381 2.593 50 0 BFAARP CC(C)C[N@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000094848918 363085481 /nfs/dbraw/zinc/08/54/81/363085481.db2.gz UUBDTURVHGEWPD-UHFFFAOYSA-N 2 0 238.419 2.887 50 0 BFAARP [NH3+]CC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000011889010 181365143 /nfs/dbraw/zinc/36/51/43/181365143.db2.gz WHVIVCBGEGNBKW-UHFFFAOYSA-N 2 0 238.762 2.511 50 0 BFAARP [NH3+]CC1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000044512142 181365369 /nfs/dbraw/zinc/36/53/69/181365369.db2.gz QOYIBOVQLPGCHK-MRXNPFEDSA-N 2 0 244.382 2.735 50 0 BFAARP CCc1nc2cc(F)ccc2n1C1CC[NH2+]CC1 ZINC000166592705 368396541 /nfs/dbraw/zinc/39/65/41/368396541.db2.gz WZRGOCSQWATBBT-UHFFFAOYSA-N 2 0 247.317 2.662 50 0 BFAARP CC[NH+](CC)CCC[NH2+]Cc1cccc(C)c1 ZINC000002933149 371707730 /nfs/dbraw/zinc/70/77/30/371707730.db2.gz ZZMCTCXRPXAUQU-UHFFFAOYSA-N 2 0 234.387 2.817 50 0 BFAARP c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000003732451 183398756 /nfs/dbraw/zinc/39/87/56/183398756.db2.gz NTEQKPPDYLNFBT-CVEARBPZSA-N 2 0 244.382 2.651 50 0 BFAARP [NH3+]Cc1ccc(-n2ccnc2-c2ccccc2)cc1 ZINC000012395421 384317902 /nfs/dbraw/zinc/31/79/02/384317902.db2.gz KEUMKOMTMPIBOO-UHFFFAOYSA-N 2 0 249.317 2.998 50 0 BFAARP C[NH+](C)CC[C@@H]1CCC[C@H]2CCCC[C@H]1[N@@H+]2C ZINC000045027644 387273940 /nfs/dbraw/zinc/27/39/40/387273940.db2.gz XRCBEMFZCKZRLZ-RRFJBIMHSA-N 2 0 238.419 2.981 50 0 BFAARP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251180700 388745843 /nfs/dbraw/zinc/74/58/43/388745843.db2.gz QTMLNUMBLBWNSJ-RDBSUJKOSA-N 2 0 236.403 2.782 50 0 BFAARP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC000222107545 170012058 /nfs/dbraw/zinc/01/20/58/170012058.db2.gz BNVNLKYMMXQHAV-GOEBONIOSA-N 2 0 246.398 2.549 50 0 BFAARP C[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000000280101 176123212 /nfs/dbraw/zinc/12/32/12/176123212.db2.gz FXQSOXZVJSHFRS-CHWSQXEVSA-N 2 0 226.408 2.743 50 0 BFAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000004298767 176278413 /nfs/dbraw/zinc/27/84/13/176278413.db2.gz WSVFANOWQHGVOH-NFAWXSAZSA-N 2 0 232.371 2.505 50 0 BFAARP C[C@H]1CCC[C@@H]([N@H+](C)C2CCN(C)CC2)C1 ZINC000004022668 177120467 /nfs/dbraw/zinc/12/04/67/177120467.db2.gz JOJOOBJTCMOJGP-GXTWGEPZSA-N 2 0 224.392 2.591 50 0 BFAARP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH3+])cc2)C1 ZINC000021952069 177358999 /nfs/dbraw/zinc/35/89/99/177358999.db2.gz YMVFPSOLZLYHIV-STQMWFEESA-N 2 0 232.371 2.623 50 0 BFAARP C[C@H](c1cccc(-c2c[nH+]ccc2N)c1)[NH+](C)C ZINC000032541610 641360391 /nfs/dbraw/zinc/36/03/91/641360391.db2.gz XLTXNWLSYMXHHS-LLVKDONJSA-N 2 0 241.338 2.953 50 0 BFAARP C[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000044534333 345110127 /nfs/dbraw/zinc/11/01/27/345110127.db2.gz BYNMIHNXJRUOBA-CABCVRRESA-N 2 0 246.398 2.722 50 0 BFAARP CC(C)=CCC[C@H](C)[NH2+]CCC[NH+](C)C ZINC000002090217 187301672 /nfs/dbraw/zinc/30/16/72/187301672.db2.gz VKIPACQPVYNORN-ZDUSSCGKSA-N 2 0 212.381 2.663 50 0 biogenic BFAARP C(C1CCCCC1)[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000072141616 188306545 /nfs/dbraw/zinc/30/65/45/188306545.db2.gz PNLPASNFZZTOFD-OAHLLOKOSA-N 2 0 236.403 2.642 50 0 BFAARP [NH3+]CC1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000044512140 181365525 /nfs/dbraw/zinc/36/55/25/181365525.db2.gz QOYIBOVQLPGCHK-INIZCTEOSA-N 2 0 244.382 2.735 50 0 BFAARP c1cc(C[N@@H+]2CCCC3(CC[NH2+]CC3)CC2)co1 ZINC000426567179 206052766 /nfs/dbraw/zinc/05/27/66/206052766.db2.gz ZFVHGGDIHITHCT-UHFFFAOYSA-N 2 0 248.370 2.635 50 0 BFAARP CCC[NH+](CCC)CC[C@@H]1CCCC[NH2+]1 ZINC000034972531 169146755 /nfs/dbraw/zinc/14/67/55/169146755.db2.gz OMOJDXHBJLPQIJ-ZDUSSCGKSA-N 2 0 212.381 2.641 50 0 BFAARP c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000101269283 183398032 /nfs/dbraw/zinc/39/80/32/183398032.db2.gz NTEQKPPDYLNFBT-HZPDHXFCSA-N 2 0 244.382 2.651 50 0 BFAARP CSc1cccc(CN(CC[NH3+])C(C)C)c1 ZINC000067947556 383963043 /nfs/dbraw/zinc/96/30/43/383963043.db2.gz MFNJTBZPXGHDRR-UHFFFAOYSA-N 2 0 238.400 2.578 50 0 BFAARP CC[C@H]1CN(c2cc[nH+]c(C)c2)CC[N@@H+]1C(C)C ZINC000096130435 384437200 /nfs/dbraw/zinc/43/72/00/384437200.db2.gz RJNAZRRMDMWWQX-AWEZNQCLSA-N 2 0 247.386 2.699 50 0 BFAARP C[N@H+](Cc1ccccc1C[NH3+])C1CCCCC1 ZINC000021953177 384708964 /nfs/dbraw/zinc/70/89/64/384708964.db2.gz PJOSCUUJKFLQBZ-UHFFFAOYSA-N 2 0 232.371 2.910 50 0 BFAARP C[C@@H](CCC[NH+](C)C)[NH2+][C@H]1CCc2ccccc21 ZINC000096009142 388802990 /nfs/dbraw/zinc/80/29/90/388802990.db2.gz ZNRLYUZRFPMSPK-BBRMVZONSA-N 2 0 246.398 2.994 50 0 BFAARP C[C@H](CCC[NH+](C)C)[NH2+][C@H]1CCc2ccccc21 ZINC000096009143 388803783 /nfs/dbraw/zinc/80/37/83/388803783.db2.gz ZNRLYUZRFPMSPK-CJNGLKHVSA-N 2 0 246.398 2.994 50 0 BFAARP CC/C=C(\C)C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000072135216 397976507 /nfs/dbraw/zinc/97/65/07/397976507.db2.gz LEECOMZQUIUTMD-LNKIKWGQSA-N 2 0 236.403 2.808 50 0 BFAARP C[C@@H](CCC[NH+](C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC000096009140 175665227 /nfs/dbraw/zinc/66/52/27/175665227.db2.gz ZNRLYUZRFPMSPK-XJKSGUPXSA-N 2 0 246.398 2.994 50 0 BFAARP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511665 176015877 /nfs/dbraw/zinc/01/58/77/176015877.db2.gz YMZPRRPCAKSMHI-NSHDSACASA-N 2 0 236.334 2.557 50 0 BFAARP CC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000042783372 343452838 /nfs/dbraw/zinc/45/28/38/343452838.db2.gz GNOWGXOXOZXNID-KBPBESRZSA-N 2 0 224.392 2.641 50 0 BFAARP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000042783374 343453204 /nfs/dbraw/zinc/45/32/04/343453204.db2.gz UPFNTUQBZCDYAN-CQSZACIVSA-N 2 0 232.371 2.508 50 0 BFAARP Cc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000072147874 179076694 /nfs/dbraw/zinc/07/66/94/179076694.db2.gz ZHEYJQMEURTKRJ-INIZCTEOSA-N 2 0 244.382 2.571 50 0 BFAARP CC[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000195545001 347460625 /nfs/dbraw/zinc/46/06/25/347460625.db2.gz QHASYNVYRJRCPZ-CABCVRRESA-N 2 0 236.403 2.664 50 0 BFAARP C[C@H](CC[NH+](C)C)Nc1cc[nH+]c2ccccc12 ZINC000049558532 356482281 /nfs/dbraw/zinc/48/22/81/356482281.db2.gz BUDYSZHUUJFKQT-GFCCVEGCSA-N 2 0 243.354 2.987 50 0 BFAARP CCC[NH+]1CCC([NH+]2CCC(C)CC2)CC1 ZINC000000758074 169186418 /nfs/dbraw/zinc/18/64/18/169186418.db2.gz DHJOTZUNLLABEI-UHFFFAOYSA-N 2 0 224.392 2.593 50 0 BFAARP c1ccc(C[N@@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000006223104 183399784 /nfs/dbraw/zinc/39/97/84/183399784.db2.gz VOWXMZNSTISHLF-MRXNPFEDSA-N 2 0 244.382 2.652 50 0 BFAARP c1ccc2c(c1)C[NH2+]Cc1ccccc1C[NH2+]C2 ZINC000000393375 383862125 /nfs/dbraw/zinc/86/21/25/383862125.db2.gz CDMYYIBQLSCGMT-UHFFFAOYSA-N 2 0 238.334 2.580 50 0 BFAARP CC[N@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC000019511828 384527363 /nfs/dbraw/zinc/52/73/63/384527363.db2.gz BIEWKBAYHYSJJN-UHFFFAOYSA-N 2 0 224.392 2.641 50 0 BFAARP c1cc(C2CC[NH2+]CC2)ccc1C[NH+]1CCCC1 ZINC000108259799 387305447 /nfs/dbraw/zinc/30/54/47/387305447.db2.gz IDLOXSGMGXSIPD-UHFFFAOYSA-N 2 0 244.382 2.749 50 0 BFAARP CC1CC[NH+](CCC[NH2+]Cc2ccccc2)CC1 ZINC000020146328 168178514 /nfs/dbraw/zinc/17/85/14/168178514.db2.gz UIZFLYUMKVSKKC-UHFFFAOYSA-N 2 0 246.398 2.898 50 0 BFAARP C[C@]12CC3(C[NH3+])CC(CC[NH3+])(C1)C[C@@](C)(C3)C2 ZINC000000036445 176549330 /nfs/dbraw/zinc/54/93/30/176549330.db2.gz QYAAPDQUHMGQBK-DGKWVBSXSA-N 2 0 236.403 2.661 50 0 BFAARP C[C@H](c1ccc(F)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000044511667 177034146 /nfs/dbraw/zinc/03/41/46/177034146.db2.gz YMZPRRPCAKSMHI-LLVKDONJSA-N 2 0 236.334 2.557 50 0 BFAARP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH3+])C1 ZINC000020284066 177358896 /nfs/dbraw/zinc/35/88/96/177358896.db2.gz DFPKKVOOAFAELB-STQMWFEESA-N 2 0 232.371 2.623 50 0 BFAARP C[C@H](CCc1ccccc1)[NH2+]CCC[NH+](C)C ZINC000002498500 342721575 /nfs/dbraw/zinc/72/15/75/342721575.db2.gz YDPFUXMBVCZVAG-CQSZACIVSA-N 2 0 234.387 2.549 50 0 BFAARP C[N@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000014629109 342882879 /nfs/dbraw/zinc/88/28/79/342882879.db2.gz XLFOFZOBMGBKMZ-ONXXMXGDSA-N 2 0 222.376 2.534 50 0 BFAARP [NH3+]Cc1ccccc1C[NH+]1CCCCCCC1 ZINC000020265139 342979677 /nfs/dbraw/zinc/97/96/77/342979677.db2.gz AHUYSUJNCQFNES-UHFFFAOYSA-N 2 0 232.371 2.911 50 0 BFAARP CC[C@@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000026515075 343106590 /nfs/dbraw/zinc/10/65/90/343106590.db2.gz LRWJBGOTDCCCSZ-CQSZACIVSA-N 2 0 224.392 2.641 50 0 BFAARP CC[C@H]1CCCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000026515076 343106653 /nfs/dbraw/zinc/10/66/53/343106653.db2.gz LRWJBGOTDCCCSZ-AWEZNQCLSA-N 2 0 224.392 2.641 50 0 BFAARP CC[C@@H](C)[N@H+](CCC[NH3+])Cc1cccs1 ZINC000032919836 343244595 /nfs/dbraw/zinc/24/45/95/343244595.db2.gz UYBXHGRUMLNCFN-LLVKDONJSA-N 2 0 226.389 2.697 50 0 BFAARP C[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000036156149 343310604 /nfs/dbraw/zinc/31/06/04/343310604.db2.gz DOVDXQKHZUVAJE-UHFFFAOYSA-N 2 0 232.371 2.508 50 0 BFAARP C(CC1CCCCCC1)[NH2+]C1CC[NH2+]CC1 ZINC000199297603 345727095 /nfs/dbraw/zinc/72/70/95/345727095.db2.gz YYUYTKKKOIDEGN-UHFFFAOYSA-N 2 0 224.392 2.689 50 0 BFAARP CC(C)[NH+](CCNC1=[NH+]CCCCC1)C(C)C ZINC000005859800 351270627 /nfs/dbraw/zinc/27/06/27/351270627.db2.gz CCIWFJVKNICXCK-UHFFFAOYSA-N 2 0 239.407 2.667 50 0 BFAARP [NH3+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000002883770 181365475 /nfs/dbraw/zinc/36/54/75/181365475.db2.gz RUSJZUMIGVPPQH-UHFFFAOYSA-N 2 0 238.762 2.511 50 0 BFAARP CCC[NH+]1CCC([N@@H+]2CCC[C@H](C)C2)CC1 ZINC000003683507 169186085 /nfs/dbraw/zinc/18/60/85/169186085.db2.gz JYOCLHUBQHEJPC-ZDUSSCGKSA-N 2 0 224.392 2.593 50 0 BFAARP [NH3+]Cc1cccc(C[NH+]2CCCCCCC2)c1 ZINC000020265136 384607297 /nfs/dbraw/zinc/60/72/97/384607297.db2.gz NIPCPNZNRIYZBR-UHFFFAOYSA-N 2 0 232.371 2.911 50 0 BFAARP C[C@H]([NH2+]CCCC[NH+]1CCCC1)C1(C)CC1 ZINC000095420405 388770067 /nfs/dbraw/zinc/77/00/67/388770067.db2.gz XELKHZOQJSGJFZ-ZDUSSCGKSA-N 2 0 224.392 2.641 50 0 BFAARP [NH3+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000004384347 397925170 /nfs/dbraw/zinc/92/51/70/397925170.db2.gz XNBPTTSAEHCYPP-UHFFFAOYSA-N 2 0 218.344 2.521 50 0 BFAARP CC[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000004129576 171317304 /nfs/dbraw/zinc/31/73/04/171317304.db2.gz AYVCPNHNBINYTP-ZDUSSCGKSA-N 2 0 224.392 2.735 50 0 BFAARP C[NH2+]CCC[NH2+]Cc1cccc2ccccc21 ZINC000057362431 173349531 /nfs/dbraw/zinc/34/95/31/173349531.db2.gz UEMRMBZEACOTEH-UHFFFAOYSA-N 2 0 228.339 2.539 50 0 BFAARP C[NH2+]CCCNc1ccnc2cc(Cl)ccc21 ZINC000006746756 173350011 /nfs/dbraw/zinc/35/00/11/173350011.db2.gz DSQFFQFYQVGMPS-UHFFFAOYSA-N 2 0 249.745 2.910 50 0 BFAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1 ZINC000004298769 176280296 /nfs/dbraw/zinc/28/02/96/176280296.db2.gz WSVFANOWQHGVOH-UMVBOHGHSA-N 2 0 232.371 2.505 50 0 BFAARP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CCCC1 ZINC000019912907 177074923 /nfs/dbraw/zinc/07/49/23/177074923.db2.gz RIISKPJSWRWGHM-ZDUSSCGKSA-N 2 0 224.392 2.783 50 0 BFAARP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000000315888 342682991 /nfs/dbraw/zinc/68/29/91/342682991.db2.gz DMNFRUBLQLMLAO-UHFFFAOYSA-N 2 0 246.398 2.991 50 0 BFAARP C[NH+](C)Cc1ccc(-c2ccccc2C[NH3+])cc1 ZINC000015544681 342897856 /nfs/dbraw/zinc/89/78/56/342897856.db2.gz HKNWTQBRDQXKPW-UHFFFAOYSA-N 2 0 240.350 2.874 50 0 BFAARP C[NH+](C)Cc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000019087956 342941410 /nfs/dbraw/zinc/94/14/10/342941410.db2.gz LKYXWYHLHCVKNO-CQSZACIVSA-N 2 0 218.344 2.563 50 0 BFAARP CC[NH+]1CCC([NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000000757072 343138666 /nfs/dbraw/zinc/13/86/66/343138666.db2.gz TVWYWFMGRXMJJB-AWEZNQCLSA-N 2 0 246.398 2.864 50 0 BFAARP CC[NH+]1CCC[C@@H](C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000120519416 350929734 /nfs/dbraw/zinc/92/97/34/350929734.db2.gz QHASYNVYRJRCPZ-GJZGRUSLSA-N 2 0 236.403 2.664 50 0 BFAARP CC(C)(C)[NH+]1CCC([NH2+]C2CC=CC2)CC1 ZINC000095423761 538603191 /nfs/dbraw/zinc/60/31/91/538603191.db2.gz JCTCSJSEICFWKP-UHFFFAOYSA-N 2 0 222.376 2.558 50 0 BFAARP CCC[NH+]1CCC([N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000003683505 169187427 /nfs/dbraw/zinc/18/74/27/169187427.db2.gz JYOCLHUBQHEJPC-CYBMUJFWSA-N 2 0 224.392 2.593 50 0 BFAARP C[N@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000036300891 383895847 /nfs/dbraw/zinc/89/58/47/383895847.db2.gz XNSSFAAFRNPCSV-UHFFFAOYSA-N 2 0 238.762 2.524 50 0 BFAARP CC1=C[C@H](C)[C@@H](C[NH2+]CCC[NH+](C)C)[C@H](C)C1 ZINC000002464249 168130484 /nfs/dbraw/zinc/13/04/84/168130484.db2.gz TZIMJQBDMVLZIZ-RRFJBIMHSA-N 2 0 238.419 2.766 50 0 BFAARP C[NH+](C)Cc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000019087953 172501398 /nfs/dbraw/zinc/50/13/98/172501398.db2.gz LKYXWYHLHCVKNO-AWEZNQCLSA-N 2 0 218.344 2.563 50 0 BFAARP C[C@@H]1C[C@](CC[NH3+])(c2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004031405 176280380 /nfs/dbraw/zinc/28/03/80/176280380.db2.gz XTILSTQWLFVMKB-FMKPAKJESA-N 2 0 246.398 2.633 50 0 BFAARP CC(C)c1ccc(C[NH2+]CCC[NH+](C)C)cc1 ZINC000002373649 342719363 /nfs/dbraw/zinc/71/93/63/342719363.db2.gz LXCZXUDZZMKAQM-UHFFFAOYSA-N 2 0 234.387 2.851 50 0 BFAARP C[NH+](C)Cc1ccccc1[C@@H]1CCCC[NH2+]1 ZINC000004234862 342744966 /nfs/dbraw/zinc/74/49/66/342744966.db2.gz CJBNGRDOGNMGFQ-AWEZNQCLSA-N 2 0 218.344 2.563 50 0 BFAARP [NH3+]C[C@@H](c1ccc(F)cc1)N1CCCCCC1 ZINC000083426018 398281594 /nfs/dbraw/zinc/28/15/94/398281594.db2.gz RWUVPSINUTZQTN-AWEZNQCLSA-N 2 0 236.334 2.702 50 0 BFAARP [NH3+][C@@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000002538805 342723415 /nfs/dbraw/zinc/72/34/15/342723415.db2.gz AQRWYAQXDIBCCU-AWEZNQCLSA-N 2 0 218.344 2.562 50 0 BFAARP CC(C)C[NH+](CCCCC[NH3+])CC(C)C ZINC000002563387 342724219 /nfs/dbraw/zinc/72/42/19/342724219.db2.gz LLOCHSZLPLWNJG-UHFFFAOYSA-N 2 0 214.397 2.729 50 0 BFAARP CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000020270220 342979426 /nfs/dbraw/zinc/97/94/26/342979426.db2.gz XVMDVZQLPOVYQP-OAHLLOKOSA-N 2 0 232.371 2.508 50 0 BFAARP CCCC[N@H+](CC)Cc1cccc(C[NH3+])c1 ZINC000021951776 343029121 /nfs/dbraw/zinc/02/91/21/343029121.db2.gz PCJUWWQVIRPNLZ-UHFFFAOYSA-N 2 0 220.360 2.767 50 0 BFAARP C[N@H+](CC1CC[NH2+]CC1)C1CCCCCC1 ZINC000036328715 343315553 /nfs/dbraw/zinc/31/55/53/343315553.db2.gz WDRSRIUDUFMGAO-UHFFFAOYSA-N 2 0 224.392 2.641 50 0 BFAARP C(C1CCCCC1)[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000072141618 187276915 /nfs/dbraw/zinc/27/69/15/187276915.db2.gz PNLPASNFZZTOFD-HNNXBMFYSA-N 2 0 236.403 2.642 50 0 BFAARP CC[N@@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000195545002 361701830 /nfs/dbraw/zinc/70/18/30/361701830.db2.gz QHASYNVYRJRCPZ-HUUCEWRRSA-N 2 0 236.403 2.664 50 0 BFAARP [NH3+]CC1CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000011889006 181365033 /nfs/dbraw/zinc/36/50/33/181365033.db2.gz MYSKYKSEXUWHLM-UHFFFAOYSA-N 2 0 238.762 2.511 50 0 BFAARP [NH3+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000011953301 181376402 /nfs/dbraw/zinc/37/64/02/181376402.db2.gz DWCDIYVGRWHKMZ-UHFFFAOYSA-N 2 0 246.398 2.680 50 0 BFAARP CCC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000132295592 169176640 /nfs/dbraw/zinc/17/66/40/169176640.db2.gz ACJCBEPQNIHMRH-INIZCTEOSA-N 2 0 246.398 2.898 50 0 BFAARP CCC[NH+]1CCC([NH2+]CCc2ccccc2)CC1 ZINC000000182019 169188591 /nfs/dbraw/zinc/18/85/91/169188591.db2.gz QVEDCDPYUOMVNS-UHFFFAOYSA-N 2 0 246.398 2.693 50 0 BFAARP c1cc2c(cc[nH+]c2-c2cccc3c2CC[NH2+]C3)[nH]1 ZINC000071759230 183364910 /nfs/dbraw/zinc/36/49/10/183364910.db2.gz TVZHGOXTZDNZMU-UHFFFAOYSA-N 2 0 249.317 2.876 50 0 BFAARP c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000101269286 183399820 /nfs/dbraw/zinc/39/98/20/183399820.db2.gz NTEQKPPDYLNFBT-JKSUJKDBSA-N 2 0 244.382 2.651 50 0 BFAARP CC(C)[N@@H+]1CC2(CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000169676564 385417422 /nfs/dbraw/zinc/41/74/22/385417422.db2.gz WIGXVRONOWQAGG-OAHLLOKOSA-N 2 0 244.382 2.822 50 0 BFAARP C[C@H](CCC[NH+](C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC000096009141 388803382 /nfs/dbraw/zinc/80/33/82/388803382.db2.gz ZNRLYUZRFPMSPK-CZUORRHYSA-N 2 0 246.398 2.994 50 0 BFAARP CC(C)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000008731130 167003899 /nfs/dbraw/zinc/00/38/99/167003899.db2.gz DSEDDRZWTWXAIN-UHFFFAOYSA-N 2 0 246.398 2.897 50 0 BFAARP CC1=C[C@H](C)[C@H](C[NH2+]CCC[NH+](C)C)[C@H](C)C1 ZINC000004612808 168132322 /nfs/dbraw/zinc/13/23/22/168132322.db2.gz TZIMJQBDMVLZIZ-ZNMIVQPWSA-N 2 0 238.419 2.766 50 0 BFAARP C[N@@H+]1CCC[C@@H]1CC[NH2+]C1CCCCCC1 ZINC000004985713 173027673 /nfs/dbraw/zinc/02/76/73/173027673.db2.gz BQRISDKXWFCCJB-CQSZACIVSA-N 2 0 224.392 2.783 50 0 BFAARP C(C[N@@H+]1CCC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000097103364 491125093 /nfs/dbraw/zinc/12/50/93/491125093.db2.gz FGSDGVZIRNYRNL-UHFFFAOYSA-N 2 0 236.403 2.738 50 0 BFAARP C[C@@H](c1cccc(-c2c[nH+]ccc2N)c1)[NH+](C)C ZINC000032541612 641851185 /nfs/dbraw/zinc/85/11/85/641851185.db2.gz XLTXNWLSYMXHHS-NSHDSACASA-N 2 0 241.338 2.953 50 0 BFAARP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000042783369 343453211 /nfs/dbraw/zinc/45/32/11/343453211.db2.gz APDKCTUOVXSYTM-ZDUSSCGKSA-N 2 0 224.392 2.641 50 0 BFAARP CC(C)(C)c1ccc(C[NH+]2CCC([NH3+])CC2)cc1 ZINC000011729472 344423777 /nfs/dbraw/zinc/42/37/77/344423777.db2.gz WCERGPOTFIYNFH-UHFFFAOYSA-N 2 0 246.398 2.907 50 0 BFAARP [NH3+]CCCCCCCCCCCC[NH3+] ZINC000001685531 181375208 /nfs/dbraw/zinc/37/52/08/181375208.db2.gz QFTYSVGGYOXFRQ-UHFFFAOYSA-N 2 0 200.370 2.805 50 0 in-vitro BFAARP c1cc[n+](CCCCCC[n+]2ccccc2)cc1 ZINC000005583130 183378039 /nfs/dbraw/zinc/37/80/39/183378039.db2.gz WUAWIFPABARFIQ-UHFFFAOYSA-N 2 0 242.366 2.522 50 0 BFAARP CCCC[NH+]1CC2CC(C1)C[NH+](CCCC)C2 ZINC000001997876 383944277 /nfs/dbraw/zinc/94/42/77/383944277.db2.gz QEZOCSVNNUPJPG-UHFFFAOYSA-N 2 0 238.419 2.840 50 0 BFAARP CC[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000042783385 384245101 /nfs/dbraw/zinc/24/51/01/384245101.db2.gz QOVCYXIIAJNORN-HNNXBMFYSA-N 2 0 246.398 2.898 50 0 BFAARP [NH3+]Cc1ccc(C[NH+]2CCCCCCC2)cc1 ZINC000020265141 384606538 /nfs/dbraw/zinc/60/65/38/384606538.db2.gz RESTYGSNCURODW-UHFFFAOYSA-N 2 0 232.371 2.911 50 0 BFAARP CC1CCC([NH2+]CC(C)(C)C[NH+](C)C)CC1 ZINC000003683493 168163307 /nfs/dbraw/zinc/16/33/07/168163307.db2.gz BHUZNYKOYFZPQG-UHFFFAOYSA-N 2 0 226.408 2.743 50 0 BFAARP CC[N@@H+]1CC[C@H]([NH2+]CCCC(C)C)[C@H](C)C1 ZINC000095967202 170021540 /nfs/dbraw/zinc/02/15/40/170021540.db2.gz PKAFQOIFROJWGF-KGLIPLIRSA-N 2 0 226.408 2.743 50 0 BFAARP C[N@H+](C1CCCCC1)C1CCC([NH3+])CC1 ZINC000055144267 172598217 /nfs/dbraw/zinc/59/82/17/172598217.db2.gz QWQBDXHRZMHGIG-UHFFFAOYSA-N 2 0 210.365 2.521 50 0 BFAARP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH3+] ZINC000021952182 176073000 /nfs/dbraw/zinc/07/30/00/176073000.db2.gz RNFKVHRDFQMOCR-GFCCVEGCSA-N 2 0 218.344 2.520 50 0 BFAARP C[C@@H]1C[C@@](CC[NH3+])(c2ccccc2)[C@H](C)C[N@@H+]1C ZINC000004031403 176277910 /nfs/dbraw/zinc/27/79/10/176277910.db2.gz XTILSTQWLFVMKB-IIAWOOMASA-N 2 0 246.398 2.633 50 0 BFAARP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH3+] ZINC000021952184 177076828 /nfs/dbraw/zinc/07/68/28/177076828.db2.gz RNFKVHRDFQMOCR-LBPRGKRZSA-N 2 0 218.344 2.520 50 0 BFAARP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000021952067 177314951 /nfs/dbraw/zinc/31/49/51/177314951.db2.gz YMVFPSOLZLYHIV-BETUJISGSA-N 2 0 232.371 2.623 50 0 BFAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000004298768 177370768 /nfs/dbraw/zinc/37/07/68/177370768.db2.gz WSVFANOWQHGVOH-IPYPFGDCSA-N 2 0 232.371 2.505 50 0 BFAARP C[C@@H](CCc1ccccc1)[NH2+]CCC[NH+](C)C ZINC000002498499 342721515 /nfs/dbraw/zinc/72/15/15/342721515.db2.gz YDPFUXMBVCZVAG-AWEZNQCLSA-N 2 0 234.387 2.549 50 0 BFAARP CC[N@@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000011953345 342844929 /nfs/dbraw/zinc/84/49/29/342844929.db2.gz SYHZXUDHPUMGHQ-UHFFFAOYSA-N 2 0 232.371 2.508 50 0 BFAARP [NH3+][C@H](CC[NH+]1CCCCC1)c1ccccc1 ZINC000012357654 342849794 /nfs/dbraw/zinc/84/97/94/342849794.db2.gz AQRWYAQXDIBCCU-CQSZACIVSA-N 2 0 218.344 2.562 50 0 BFAARP CC(C)(C)CC(C)(C)[NH2+]CCCC[NH3+] ZINC000043437369 343001440 /nfs/dbraw/zinc/00/14/40/343001440.db2.gz OQMXHVKNNUIWHT-UHFFFAOYSA-N 2 0 200.370 2.530 50 0 BFAARP C[N@H+](CC[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000034972504 343281880 /nfs/dbraw/zinc/28/18/80/343281880.db2.gz PTKLZJHYEPWSHC-CYBMUJFWSA-N 2 0 224.392 2.783 50 0 BFAARP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000042783370 343453073 /nfs/dbraw/zinc/45/30/73/343453073.db2.gz APDKCTUOVXSYTM-CYBMUJFWSA-N 2 0 224.392 2.641 50 0 BFAARP CCCC[NH2+]C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000072323939 384207532 /nfs/dbraw/zinc/20/75/32/384207532.db2.gz UQHMEAZLQPVXPC-UONOGXRCSA-N 2 0 224.392 2.641 50 0 biogenic BFAARP CC1=C[C@H](C)[C@H](C[NH2+]CCC[NH+](C)C)[C@@H](C)C1 ZINC000004612809 168131705 /nfs/dbraw/zinc/13/17/05/168131705.db2.gz TZIMJQBDMVLZIZ-KKUMJFAQSA-N 2 0 238.419 2.766 50 0 BFAARP C[NH2+]CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000057218723 173337699 /nfs/dbraw/zinc/33/76/99/173337699.db2.gz PNRNYQOXAVOQHZ-UHFFFAOYSA-N 2 0 232.371 2.508 50 0 BFAARP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH3+])cc1 ZINC000021951551 176072916 /nfs/dbraw/zinc/07/29/16/176072916.db2.gz ISQZMUGCUSTZKP-GFCCVEGCSA-N 2 0 218.344 2.520 50 0 BFAARP C[C@@H]1CCC[C@H]([N@H+](C)C2CCN(C)CC2)C1 ZINC000004022666 176140922 /nfs/dbraw/zinc/14/09/22/176140922.db2.gz JOJOOBJTCMOJGP-OCCSQVGLSA-N 2 0 224.392 2.591 50 0 BFAARP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000004538050 177363655 /nfs/dbraw/zinc/36/36/55/177363655.db2.gz IGSBHTZEJMPDSZ-QLKXBERHSA-N 2 0 238.419 2.904 50 0 BFAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000004454389 177370119 /nfs/dbraw/zinc/37/01/19/177370119.db2.gz KPRIEJCCTJJFOU-YCPHGPKFSA-N 2 0 246.398 2.547 50 0 BFAARP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@H](C2CCCCC2)[NH2+]1 ZINC000757216137 582560663 /nfs/dbraw/zinc/56/06/63/582560663.db2.gz XYBJZRPJUJXPHN-XCCSTKFXSA-N 2 0 224.392 2.528 50 0 BFAARP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@H](C2CCCCC2)[NH2+]1 ZINC000757216135 586440646 /nfs/dbraw/zinc/44/06/46/586440646.db2.gz XYBJZRPJUJXPHN-UNJBNNCHSA-N 2 0 224.392 2.528 50 0 BFAARP C1=CC[C@H](C[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000020994858 343001672 /nfs/dbraw/zinc/00/16/72/343001672.db2.gz VIJZKYQCMHJDAQ-HNNXBMFYSA-N 2 0 248.414 2.903 50 0 BFAARP C1=CC[C@@H](C[NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000020994861 343001691 /nfs/dbraw/zinc/00/16/91/343001691.db2.gz VIJZKYQCMHJDAQ-OAHLLOKOSA-N 2 0 248.414 2.903 50 0 BFAARP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000042783373 343453214 /nfs/dbraw/zinc/45/32/14/343453214.db2.gz UPFNTUQBZCDYAN-AWEZNQCLSA-N 2 0 232.371 2.508 50 0 BFAARP Cc1cccc(C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000015423970 179074600 /nfs/dbraw/zinc/07/46/00/179074600.db2.gz PQCQVLCNDWBBAX-UHFFFAOYSA-N 2 0 232.371 2.556 50 0 BFAARP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH3+])[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000212669393 349362875 /nfs/dbraw/zinc/36/28/75/349362875.db2.gz IGSBHTZEJMPDSZ-FVUFVHQMSA-N 2 0 238.419 2.904 50 0 BFAARP CC(C)=CCC[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000002090219 188518120 /nfs/dbraw/zinc/51/81/20/188518120.db2.gz VKIPACQPVYNORN-CYBMUJFWSA-N 2 0 212.381 2.663 50 0 biogenic BFAARP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000012506015 181345204 /nfs/dbraw/zinc/34/52/04/181345204.db2.gz UWEVJKJUENNRQT-GOOCMWNKSA-N 2 0 230.355 2.531 50 0 BFAARP c1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cc1 ZINC000001705552 183397387 /nfs/dbraw/zinc/39/73/87/183397387.db2.gz DKRVXLMWXJFVEJ-UHFFFAOYSA-N 2 0 244.382 2.652 50 0 BFAARP c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037859633 183397935 /nfs/dbraw/zinc/39/79/35/183397935.db2.gz NTEQKPPDYLNFBT-HOTGVXAUSA-N 2 0 244.382 2.651 50 0 BFAARP c1ccc(C[N@@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000006223102 183398988 /nfs/dbraw/zinc/39/89/88/183398988.db2.gz VOWXMZNSTISHLF-INIZCTEOSA-N 2 0 244.382 2.652 50 0 BFAARP c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000020128843 388406438 /nfs/dbraw/zinc/40/64/38/388406438.db2.gz KXENVEDQXIFHNM-UHFFFAOYSA-N 2 0 232.371 2.652 50 0 BFAARP CC[N@@H+]1CC[C@H]([NH2+]CCCC(C)C)[C@@H](C)C1 ZINC000221874577 170020215 /nfs/dbraw/zinc/02/02/15/170020215.db2.gz PKAFQOIFROJWGF-KBPBESRZSA-N 2 0 226.408 2.743 50 0 BFAARP C[C@@H]1C[C@H](C)[C@H](C[NH3+])[C@@H](C2CCCCC2)[NH2+]1 ZINC000757216136 582560845 /nfs/dbraw/zinc/56/08/45/582560845.db2.gz XYBJZRPJUJXPHN-UZGDPCLZSA-N 2 0 224.392 2.528 50 0 BFAARP C[NH+](C)Cc1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000004234908 342744968 /nfs/dbraw/zinc/74/49/68/342744968.db2.gz LDSMIZOJFSCJMT-OAHLLOKOSA-N 2 0 232.371 2.953 50 0 BFAARP C(=C/C[NH+]1CCCCC1)\C[NH+]1CCCCC1 ZINC000001842984 166226127 /nfs/dbraw/zinc/22/61/27/166226127.db2.gz GGMZNKPVYRGGPT-BQYQJAHWSA-N 2 0 222.376 2.514 50 0 BFAARP NCC1([NH+]2CCCCC2)C2CC3CC(C2)CC1C3 ZINC000032497009 181360246 /nfs/dbraw/zinc/36/02/46/181360246.db2.gz IRGLQLSXVRKAEX-UHFFFAOYSA-N 2 0 248.414 2.626 50 0 BFAARP CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000019886012 169187904 /nfs/dbraw/zinc/18/79/04/169187904.db2.gz QSJXFJNMZMPGPJ-UHFFFAOYSA-N 2 0 232.371 2.651 50 0 BFAARP Cc1ccc(CCNc2cccc(C)[nH+]2)cn1 ZINC000157520874 384189403 /nfs/dbraw/zinc/18/94/03/384189403.db2.gz HIPHJPCYFBJYRU-UHFFFAOYSA-N 2 0 227.311 2.748 50 0 BFAARP CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000042783386 384245292 /nfs/dbraw/zinc/24/52/92/384245292.db2.gz QOVCYXIIAJNORN-OAHLLOKOSA-N 2 0 246.398 2.898 50 0 BFAARP CC[NH+](CC)CCCN1CCSC(C)(C)C1 ZINC000097105649 384357596 /nfs/dbraw/zinc/35/75/96/384357596.db2.gz MKYXJTOZCQFPAM-UHFFFAOYSA-N 2 0 244.448 2.546 50 0 BFAARP CC[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000019435640 384521208 /nfs/dbraw/zinc/52/12/08/384521208.db2.gz PHFCZQZHJYWZDT-CYBMUJFWSA-N 2 0 224.392 2.641 50 0 BFAARP CC[NH+]1CCC([NH2+]CC2CCCCC2)CC1 ZINC000003683558 169954940 /nfs/dbraw/zinc/95/49/40/169954940.db2.gz XJSLXDBSZSBJRC-UHFFFAOYSA-N 2 0 224.392 2.641 50 0 BFAARP CC[N@@H+]1CC[C@@H]([NH2+]CCCC(C)C)[C@@H](C)C1 ZINC000221874523 170011641 /nfs/dbraw/zinc/01/16/41/170011641.db2.gz PKAFQOIFROJWGF-UONOGXRCSA-N 2 0 226.408 2.743 50 0 BFAARP C[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000000280105 176143263 /nfs/dbraw/zinc/14/32/63/176143263.db2.gz FXQSOXZVJSHFRS-OLZOCXBDSA-N 2 0 226.408 2.743 50 0 BFAARP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH3+])C1 ZINC000020284060 177314730 /nfs/dbraw/zinc/31/47/30/177314730.db2.gz DFPKKVOOAFAELB-BETUJISGSA-N 2 0 232.371 2.623 50 0 BFAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1 ZINC000004298770 177332761 /nfs/dbraw/zinc/33/27/61/177332761.db2.gz WSVFANOWQHGVOH-VNHYZAJKSA-N 2 0 232.371 2.505 50 0 BFAARP CC(C)c1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1 ZINC000010434734 342836094 /nfs/dbraw/zinc/83/60/94/342836094.db2.gz XXFYNYCAEVKSME-UHFFFAOYSA-N 2 0 246.398 2.899 50 0 BFAARP CC[C@@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000004129575 398328579 /nfs/dbraw/zinc/32/85/79/398328579.db2.gz AYVCPNHNBINYTP-CYBMUJFWSA-N 2 0 224.392 2.735 50 0 BFAARP CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000020270221 342979530 /nfs/dbraw/zinc/97/95/30/342979530.db2.gz XVMDVZQLPOVYQP-HNNXBMFYSA-N 2 0 232.371 2.508 50 0 BFAARP CC[N@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000101001047 344418571 /nfs/dbraw/zinc/41/85/71/344418571.db2.gz CMFAWHXFZMVYBW-GASCZTMLSA-N 2 0 232.371 2.778 50 0 BFAARP CC[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000247963567 344992816 /nfs/dbraw/zinc/99/28/16/344992816.db2.gz GNOWGXOXOZXNID-ZIAGYGMSSA-N 2 0 224.392 2.641 50 0 BFAARP C1CCC([NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000000245374 188099823 /nfs/dbraw/zinc/09/98/23/188099823.db2.gz ZNGCVWLNUBTCFK-UHFFFAOYSA-N 2 0 236.403 2.879 50 0 BFAARP CC[N@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000036156151 383882978 /nfs/dbraw/zinc/88/29/78/383882978.db2.gz MQBLGWJPBBFNDP-UHFFFAOYSA-N 2 0 246.398 2.898 50 0 BFAARP C[NH+](C)CC1CC[NH+](CCc2ccccc2)CC1 ZINC000071899650 384048001 /nfs/dbraw/zinc/04/80/01/384048001.db2.gz MBMBXKSGTPABRV-UHFFFAOYSA-N 2 0 246.398 2.503 50 0 BFAARP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000004538048 384066033 /nfs/dbraw/zinc/06/60/33/384066033.db2.gz IGSBHTZEJMPDSZ-MBIARJLFSA-N 2 0 238.419 2.904 50 0 BFAARP CC[N@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000019435642 384522266 /nfs/dbraw/zinc/52/22/66/384522266.db2.gz PHFCZQZHJYWZDT-ZDUSSCGKSA-N 2 0 224.392 2.641 50 0 BFAARP CC(C)CC[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000190788107 387874765 /nfs/dbraw/zinc/87/47/65/387874765.db2.gz XBKYUKDBOKSTAG-UHFFFAOYSA-N 2 0 226.408 2.743 50 0 BFAARP CC1=C[C@H](C)[C@@H](C[NH2+]CCC[NH+](C)C)[C@@H](C)C1 ZINC000101125784 168131063 /nfs/dbraw/zinc/13/10/63/168131063.db2.gz TZIMJQBDMVLZIZ-SOUVJXGZSA-N 2 0 238.419 2.766 50 0 BFAARP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC000095967110 170013194 /nfs/dbraw/zinc/01/31/94/170013194.db2.gz BNVNLKYMMXQHAV-GDBMZVCRSA-N 2 0 246.398 2.549 50 0 BFAARP CC[C@H](C)[N@H+](CCC[NH3+])Cc1cccs1 ZINC000032919838 171313333 /nfs/dbraw/zinc/31/33/33/171313333.db2.gz UYBXHGRUMLNCFN-NSHDSACASA-N 2 0 226.389 2.697 50 0 BFAARP C[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000000280100 177122974 /nfs/dbraw/zinc/12/29/74/177122974.db2.gz FXQSOXZVJSHFRS-QWHCGFSZSA-N 2 0 226.408 2.743 50 0 BFAARP C[C@H]1CCC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)C1 ZINC000000280104 177137064 /nfs/dbraw/zinc/13/70/64/177137064.db2.gz FXQSOXZVJSHFRS-STQMWFEESA-N 2 0 226.408 2.743 50 0 BFAARP CCc1nccn1C[C@@H](C)[N@H+](C)Cc1ccoc1 ZINC001506399726 988774756 /nfs/dbraw/zinc/77/47/56/988774756.db2.gz CSDCZPURWLCZJX-GFCCVEGCSA-N 2 0 247.342 2.559 50 0 BFAARP CC[C@@H](C)[NH+]1CCC([NH+]2CCC(C)CC2)CC1 ZINC000004745814 342751505 /nfs/dbraw/zinc/75/15/05/342751505.db2.gz NYRMETGDANWFFF-CQSZACIVSA-N 2 0 238.419 2.981 50 0 BFAARP CC[NH+](CC)CCC[NH2+]Cc1ccccc1 ZINC000013734076 342870967 /nfs/dbraw/zinc/87/09/67/342870967.db2.gz GPMZDTWIXKJVIB-UHFFFAOYSA-N 2 0 220.360 2.508 50 0 BFAARP c1csc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000020128727 342970608 /nfs/dbraw/zinc/97/06/08/342970608.db2.gz ZHGNXNYMMQBMPE-UHFFFAOYSA-N 2 0 238.400 2.714 50 0 BFAARP C[N@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000020180446 342974887 /nfs/dbraw/zinc/97/48/87/342974887.db2.gz BPRVCAZGIWLXRM-HNNXBMFYSA-N 2 0 232.371 2.651 50 0 BFAARP C[N@H+](CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000034972506 343281928 /nfs/dbraw/zinc/28/19/28/343281928.db2.gz QXTJESJLPNPKOS-UHFFFAOYSA-N 2 0 224.392 2.641 50 0 BFAARP CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089919262 344263344 /nfs/dbraw/zinc/26/33/44/344263344.db2.gz QTMLNUMBLBWNSJ-MJBXVCDLSA-N 2 0 236.403 2.782 50 0 BFAARP C[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000044534337 345110792 /nfs/dbraw/zinc/11/07/92/345110792.db2.gz BYNMIHNXJRUOBA-HUUCEWRRSA-N 2 0 246.398 2.722 50 0 BFAARP C[C@@H](CC[NH+](C)C)Nc1cc[nH+]c2ccccc12 ZINC000049558531 356482092 /nfs/dbraw/zinc/48/20/92/356482092.db2.gz BUDYSZHUUJFKQT-LBPRGKRZSA-N 2 0 243.354 2.987 50 0 BFAARP CC[N@H+](Cc1ccccc1)C1CCN(C)CC1 ZINC000000181937 360083721 /nfs/dbraw/zinc/08/37/21/360083721.db2.gz MKHUYGWYTBXICL-UHFFFAOYSA-N 2 0 232.371 2.603 50 0 BFAARP CCC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000132295368 169177523 /nfs/dbraw/zinc/17/75/23/169177523.db2.gz ACJCBEPQNIHMRH-MRXNPFEDSA-N 2 0 246.398 2.898 50 0 BFAARP [NH3+]CCn1c2ccccc2nc1C1CCCC1 ZINC000038478280 384082976 /nfs/dbraw/zinc/08/29/76/384082976.db2.gz DVONGLVRXURQCK-UHFFFAOYSA-N 2 0 229.327 2.653 50 0 BFAARP CC[C@H]1CCCC[N@@H+]1CC[C@H]1CCCC[NH2+]1 ZINC000248022170 384582475 /nfs/dbraw/zinc/58/24/75/384582475.db2.gz JPRFWBGCRQMGHE-KGLIPLIRSA-N 2 0 224.392 2.783 50 0 BFAARP c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000089834886 388369420 /nfs/dbraw/zinc/36/94/20/388369420.db2.gz LDDZSDKWHKWEAK-INIZCTEOSA-N 2 0 244.382 2.604 50 0 BFAARP CC(C)=CC[N@@H+]1CCC[C@@H](Cn2ccnc2C)C1 ZINC000072174212 397978985 /nfs/dbraw/zinc/97/89/85/397978985.db2.gz KRYDTXZTNFRXDF-OAHLLOKOSA-N 2 0 247.386 2.870 50 0 BFAARP CC(C)[NH+]1CCC([NH+]2CCC(C)CC2)CC1 ZINC000001458513 168178177 /nfs/dbraw/zinc/17/81/77/168178177.db2.gz QPNKFBFNWAQTMO-UHFFFAOYSA-N 2 0 224.392 2.591 50 0 BFAARP CC[C@H](C)[NH+]1CCC([NH+]2CCC(C)CC2)CC1 ZINC000004745816 171317338 /nfs/dbraw/zinc/31/73/38/171317338.db2.gz NYRMETGDANWFFF-AWEZNQCLSA-N 2 0 238.419 2.981 50 0 BFAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1 ZINC000033936154 176278380 /nfs/dbraw/zinc/27/83/80/176278380.db2.gz KPRIEJCCTJJFOU-IIAWOOMASA-N 2 0 246.398 2.547 50 0 BFAARP C[NH+](C)Cc1ccccc1[C@H]1CCCC[NH2+]1 ZINC000004234863 342744782 /nfs/dbraw/zinc/74/47/82/342744782.db2.gz CJBNGRDOGNMGFQ-CQSZACIVSA-N 2 0 218.344 2.563 50 0 BFAARP CC[NH+]1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000020093619 342969314 /nfs/dbraw/zinc/96/93/14/342969314.db2.gz ACAZJGRECKLNFU-UHFFFAOYSA-N 2 0 236.403 2.951 50 0 BFAARP C[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000044534332 345109813 /nfs/dbraw/zinc/10/98/13/345109813.db2.gz BYNMIHNXJRUOBA-GJZGRUSLSA-N 2 0 246.398 2.722 50 0 BFAARP Cc1ccc2[nH+]c(C)cc(NCC[NH+](C)C)c2c1 ZINC000000120816 178975625 /nfs/dbraw/zinc/97/56/25/178975625.db2.gz GLYWBGGSWFLAOF-UHFFFAOYSA-N 2 0 243.354 2.825 50 0 BFAARP [NH3+]C1CC[NH+](CC2=CCCCCCC2)CC1 ZINC000039076282 181343522 /nfs/dbraw/zinc/34/35/22/181343522.db2.gz KXKGPHJLNRDBHZ-UHFFFAOYSA-N 2 0 222.376 2.690 50 0 BFAARP [NH3+]CCCCCC[N@@H+]1CCc2ccccc2C1 ZINC000002029199 181374829 /nfs/dbraw/zinc/37/48/29/181374829.db2.gz BOWQTBRKCAPHPB-UHFFFAOYSA-N 2 0 232.371 2.564 50 0 BFAARP C[NH+](C)CC[C@H]1CCC[C@H]2CCCC[C@H]1[N@@H+]2C ZINC000101036078 368384224 /nfs/dbraw/zinc/38/42/24/368384224.db2.gz XRCBEMFZCKZRLZ-RBSFLKMASA-N 2 0 238.419 2.981 50 0 BFAARP c1ccc(C[N@@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC000059099618 183397204 /nfs/dbraw/zinc/39/72/04/183397204.db2.gz QKKQOABRVDBFKQ-UHFFFAOYSA-N 2 0 244.382 2.795 50 0 BFAARP c1ccc(C[NH+]2CCC3(CCC[NH2+]C3)CC2)cc1 ZINC000079034230 183397695 /nfs/dbraw/zinc/39/76/95/183397695.db2.gz JVEBJYBSCVIWTQ-UHFFFAOYSA-N 2 0 244.382 2.652 50 0 BFAARP [NH3+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000006677786 384162454 /nfs/dbraw/zinc/16/24/54/384162454.db2.gz SUTMDIQABALFGJ-UHFFFAOYSA-N 2 0 218.344 2.521 50 0 BFAARP CC[C@@H]1CN(c2cc[nH+]c(C)c2)CC[N@@H+]1C(C)C ZINC000096130434 384436914 /nfs/dbraw/zinc/43/69/14/384436914.db2.gz RJNAZRRMDMWWQX-CQSZACIVSA-N 2 0 247.386 2.699 50 0 BFAARP CC[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000247963562 384547868 /nfs/dbraw/zinc/54/78/68/384547868.db2.gz GNOWGXOXOZXNID-KGLIPLIRSA-N 2 0 224.392 2.641 50 0 BFAARP CCCC[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000085389419 384941611 /nfs/dbraw/zinc/94/16/11/384941611.db2.gz UQHMEAZLQPVXPC-ZIAGYGMSSA-N 2 0 224.392 2.641 50 0 BFAARP C[C@@H]1C[C@](CC[NH3+])(c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000001296801 386336862 /nfs/dbraw/zinc/33/68/62/386336862.db2.gz XTILSTQWLFVMKB-LZWOXQAQSA-N 2 0 246.398 2.633 50 0 BFAARP c1cc(C[NH+]2CCCC2)cc(C2CC[NH2+]CC2)c1 ZINC000108259796 387305759 /nfs/dbraw/zinc/30/57/59/387305759.db2.gz XPIFPHRCPHBXQD-UHFFFAOYSA-N 2 0 244.382 2.749 50 0 BFAARP C[N@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000242648397 387938003 /nfs/dbraw/zinc/93/80/03/387938003.db2.gz QWQBDXHRZMHGIG-AULYBMBSSA-N 2 0 210.365 2.521 50 0 BFAARP C[C@H](CCCC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC000096006891 388803166 /nfs/dbraw/zinc/80/31/66/388803166.db2.gz ALOPWJJEUXZWQD-CQSZACIVSA-N 2 0 234.387 2.897 50 0 BFAARP C[C@@H](CCCC[NH+](C)C)[NH2+]Cc1ccccc1 ZINC000096006890 388804068 /nfs/dbraw/zinc/80/40/68/388804068.db2.gz ALOPWJJEUXZWQD-AWEZNQCLSA-N 2 0 234.387 2.897 50 0 BFAARP CC1CC[NH+](CCC[NH2+]C2CCCC2)CC1 ZINC000020146231 168178704 /nfs/dbraw/zinc/17/87/04/168178704.db2.gz HPRZYCRXHPQWJN-UHFFFAOYSA-N 2 0 224.392 2.641 50 0 BFAARP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC000222107612 170021503 /nfs/dbraw/zinc/02/15/03/170021503.db2.gz BNVNLKYMMXQHAV-HOCLYGCPSA-N 2 0 246.398 2.549 50 0 BFAARP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000073653945 170021682 /nfs/dbraw/zinc/02/16/82/170021682.db2.gz NJVYAWGVQIBTKH-HIFRSBDPSA-N 2 0 232.371 2.507 50 0 BFAARP C[C@@H]([NH2+]CCCC[NH+]1CCCC1)C1(C)CC1 ZINC000095420406 175875053 /nfs/dbraw/zinc/87/50/53/175875053.db2.gz XELKHZOQJSGJFZ-CYBMUJFWSA-N 2 0 224.392 2.641 50 0 BFAARP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000033936153 176278367 /nfs/dbraw/zinc/27/83/67/176278367.db2.gz KPRIEJCCTJJFOU-FMKPAKJESA-N 2 0 246.398 2.547 50 0 BFAARP C[C@H]([NH2+]CCC[NH3+])c1cccc2ccccc21 ZINC000037713168 176844829 /nfs/dbraw/zinc/84/48/29/176844829.db2.gz TYZMYZHRTKVUEJ-LBPRGKRZSA-N 2 0 228.339 2.839 50 0 BFAARP C[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000044534335 345110590 /nfs/dbraw/zinc/11/05/90/345110590.db2.gz BYNMIHNXJRUOBA-LSDHHAIUSA-N 2 0 246.398 2.722 50 0 BFAARP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1cccs1 ZINC000054601943 181344344 /nfs/dbraw/zinc/34/43/44/181344344.db2.gz BJUFNPCCDQBTLY-YOGCLGLASA-N 2 0 236.384 2.592 50 0 BFAARP CC(C)[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000169676565 385417490 /nfs/dbraw/zinc/41/74/90/385417490.db2.gz WIGXVRONOWQAGG-HNNXBMFYSA-N 2 0 244.382 2.822 50 0 BFAARP CCCC[NH2+]C[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000170622847 385434585 /nfs/dbraw/zinc/43/45/85/385434585.db2.gz UQHMEAZLQPVXPC-KGLIPLIRSA-N 2 0 224.392 2.641 50 0 BFAARP CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000251180696 388746150 /nfs/dbraw/zinc/74/61/50/388746150.db2.gz QTMLNUMBLBWNSJ-IHRRRGAJSA-N 2 0 236.403 2.782 50 0 BFAARP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH3+])C1 ZINC000020284057 176361465 /nfs/dbraw/zinc/36/14/65/176361465.db2.gz DFPKKVOOAFAELB-CHWSQXEVSA-N 2 0 232.371 2.623 50 0 BFAARP CC[C@@H]1C=CC[N@@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC000952968463 644446264 /nfs/dbraw/zinc/44/62/64/644446264.db2.gz GZHDUEWHPABEOV-CQSZACIVSA-N 2 0 248.414 2.949 50 0 BFAARP CCC(CC)(C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000062151988 168323909 /nfs/dbraw/zinc/32/39/09/168323909.db2.gz FFCYXXDRXVCEJL-GFCCVEGCSA-N 2 0 220.360 2.855 50 0 BFAARP CCC(CC)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000097032319 168350517 /nfs/dbraw/zinc/35/05/17/168350517.db2.gz GVLOVQDSGXYCMN-UHFFFAOYSA-N 2 0 226.408 2.885 50 0 BFAARP C[NH+]1CCC(CCCC2CC[NH+](C)CC2)CC1 ZINC000000056501 342672000 /nfs/dbraw/zinc/67/20/00/342672000.db2.gz JWOTWWORMYMZCR-UHFFFAOYSA-N 2 0 238.419 2.840 50 0 BFAARP C[NH+](C)Cc1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000004234907 342744931 /nfs/dbraw/zinc/74/49/31/342744931.db2.gz LDSMIZOJFSCJMT-HNNXBMFYSA-N 2 0 232.371 2.953 50 0 BFAARP C[N@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000020180448 342974601 /nfs/dbraw/zinc/97/46/01/342974601.db2.gz BPRVCAZGIWLXRM-OAHLLOKOSA-N 2 0 232.371 2.651 50 0 BFAARP CC[C@H]1CCCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000020180480 342974833 /nfs/dbraw/zinc/97/48/33/342974833.db2.gz JPRFWBGCRQMGHE-KBPBESRZSA-N 2 0 224.392 2.783 50 0 BFAARP CC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000020180478 342974908 /nfs/dbraw/zinc/97/49/08/342974908.db2.gz JPRFWBGCRQMGHE-UONOGXRCSA-N 2 0 224.392 2.783 50 0 BFAARP [NH3+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000020284053 342980167 /nfs/dbraw/zinc/98/01/67/342980167.db2.gz ZCAYBUPHLOBUEQ-UHFFFAOYSA-N 2 0 218.344 2.521 50 0 BFAARP CC[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000042783371 343453151 /nfs/dbraw/zinc/45/31/51/343453151.db2.gz GNOWGXOXOZXNID-UONOGXRCSA-N 2 0 224.392 2.641 50 0 BFAARP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000089919260 344263298 /nfs/dbraw/zinc/26/32/98/344263298.db2.gz QTMLNUMBLBWNSJ-MCIONIFRSA-N 2 0 236.403 2.782 50 0 BFAARP [NH3+]Cc1cccc2c1C[N@H+](Cc1ccccc1)C2 ZINC000030678442 188110491 /nfs/dbraw/zinc/11/04/91/188110491.db2.gz UXAZXMXGESTEHL-UHFFFAOYSA-N 2 0 238.334 2.661 50 0 BFAARP C[C@@H]1C[C@H](C[C@@H]2CC[C@H]([NH3+])[C@H](C)C2)CC[C@H]1[NH3+] ZINC000212670052 368401235 /nfs/dbraw/zinc/40/12/35/368401235.db2.gz IGSBHTZEJMPDSZ-OJVARPOJSA-N 2 0 238.419 2.904 50 0 BFAARP CCC[NH2+]CCCCCC[NH2+]CCC ZINC000001726574 169256589 /nfs/dbraw/zinc/25/65/89/169256589.db2.gz HATUUAQLQWALQM-UHFFFAOYSA-N 2 0 200.370 2.546 50 0 BFAARP C[NH+](C)CC(C)(C)C[NH2+]C1CCCCCC1 ZINC000000757044 383881596 /nfs/dbraw/zinc/88/15/96/383881596.db2.gz QJJZCVAMXARYFP-UHFFFAOYSA-N 2 0 226.408 2.887 50 0 BFAARP CCCC[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000005821318 384131723 /nfs/dbraw/zinc/13/17/23/384131723.db2.gz FDAKZQLBIFPGSV-UHFFFAOYSA-N 2 0 212.381 2.685 50 0 BFAARP C[C@@H]1C[C@@](CC[NH3+])(c2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000013655987 384368782 /nfs/dbraw/zinc/36/87/82/384368782.db2.gz XTILSTQWLFVMKB-SQWLQELKSA-N 2 0 246.398 2.633 50 0 BFAARP c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000089834885 388368570 /nfs/dbraw/zinc/36/85/70/388368570.db2.gz LDDZSDKWHKWEAK-MRXNPFEDSA-N 2 0 244.382 2.604 50 0 BFAARP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCCn1ccnc1 ZINC000097098620 168102341 /nfs/dbraw/zinc/10/23/41/168102341.db2.gz MVTCVCZOEUQRPU-HUUCEWRRSA-N 2 0 247.386 2.855 50 0 BFAARP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000222074321 170020234 /nfs/dbraw/zinc/02/02/34/170020234.db2.gz NJVYAWGVQIBTKH-ZFWWWQNUSA-N 2 0 232.371 2.507 50 0 BFAARP C[N@@H+]1CCC[C@H]1CC[NH2+]C1CCCCCC1 ZINC000000276978 173054782 /nfs/dbraw/zinc/05/47/82/173054782.db2.gz BQRISDKXWFCCJB-AWEZNQCLSA-N 2 0 224.392 2.783 50 0 BFAARP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1 ZINC000033936155 177332108 /nfs/dbraw/zinc/33/21/08/177332108.db2.gz KPRIEJCCTJJFOU-IJEWVQPXSA-N 2 0 246.398 2.547 50 0 BFAARP C[C@@H]1C[C@H](C)[C@@H](C[NH3+])[C@@H](C2CCCCC2)[NH2+]1 ZINC000757216125 586440802 /nfs/dbraw/zinc/44/08/02/586440802.db2.gz XYBJZRPJUJXPHN-OIMNJJJWSA-N 2 0 224.392 2.528 50 0 BFAARP CCc1nccn1C[C@H](C)[N@H+](C)Cc1ccoc1 ZINC001506399729 988772764 /nfs/dbraw/zinc/77/27/64/988772764.db2.gz CSDCZPURWLCZJX-LBPRGKRZSA-N 2 0 247.342 2.559 50 0 BFAARP