smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2)CC1 ZINC000000802056 342693102 /nfs/dbraw/zinc/69/31/02/342693102.db2.gz FCHIXBOAKWKZHI-ZDUSSCGKSA-N 2 1 232.371 2.822 50 0 BFAAMP Cc1[nH+]cn(C[C@@H](C)[NH2+]C2CCCCC2)c1C ZINC000093368945 180288314 /nfs/dbraw/zinc/28/83/14/180288314.db2.gz UGAZQMBARHQOPY-LLVKDONJSA-N 2 1 235.375 2.811 50 0 BFAAMP CC[N@@H+](C[C@H]1CCCCN1)C1CCCCC1 ZINC000019808868 384541909 /nfs/dbraw/zinc/54/19/09/384541909.db2.gz YNCHCKQOQFLUGF-CYBMUJFWSA-N 2 1 224.392 2.783 50 0 BFAAMP CCCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000032919747 385193046 /nfs/dbraw/zinc/19/30/46/385193046.db2.gz HGBNEDDSLZOPLJ-UHFFFAOYSA-N 2 1 220.360 2.638 50 0 BFAAMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000245204508 169917432 /nfs/dbraw/zinc/91/74/32/169917432.db2.gz CMFAWHXFZMVYBW-SHTZXODSSA-N 2 1 232.371 2.778 50 0 BFAAMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(C)C)[C@H](C)C1 ZINC000095967203 170013124 /nfs/dbraw/zinc/01/31/24/170013124.db2.gz PKAFQOIFROJWGF-ZIAGYGMSSA-N 2 1 226.408 2.743 50 0 BFAAMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC000095967109 170020787 /nfs/dbraw/zinc/02/07/87/170020787.db2.gz BNVNLKYMMXQHAV-ZBFHGGJFSA-N 2 1 246.398 2.549 50 0 BFAAMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCCC1 ZINC000019912906 176072280 /nfs/dbraw/zinc/07/22/80/176072280.db2.gz RIISKPJSWRWGHM-CYBMUJFWSA-N 2 1 224.392 2.783 50 0 BFAAMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000021951553 177077270 /nfs/dbraw/zinc/07/72/70/177077270.db2.gz ISQZMUGCUSTZKP-LBPRGKRZSA-N 2 1 218.344 2.520 50 0 BFAAMP CCCC[N@H+]1CCCC2(CC[NH2+]CC2)CC1 ZINC000067513984 632578931 /nfs/dbraw/zinc/57/89/31/632578931.db2.gz RVXNXRWTMIALHA-UHFFFAOYSA-N 2 1 224.392 2.642 50 0 BFAAMP CC[C@H]1C=CC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC000952968451 644446231 /nfs/dbraw/zinc/44/62/31/644446231.db2.gz GZHDUEWHPABEOV-AWEZNQCLSA-N 2 1 248.414 2.949 50 0 BFAAMP CSCC[C@H](C)[NH2+]CC(C)(C)[NH+]1CCCC1 ZINC000824896287 968624961 /nfs/dbraw/zinc/62/49/61/968624961.db2.gz XUNLNNHDSMVCNG-LBPRGKRZSA-N 2 1 244.448 2.592 50 0 BFAAMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000004978121 982960892 /nfs/dbraw/zinc/96/08/92/982960892.db2.gz BHHSJAFDBBXQJW-UHFFFAOYSA-N 2 1 232.371 2.521 50 0 BFAAMP Cc1ccc(C[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000004978121 982960902 /nfs/dbraw/zinc/96/09/02/982960902.db2.gz BHHSJAFDBBXQJW-UHFFFAOYSA-N 2 1 232.371 2.521 50 0 BFAAMP CCc1[nH+]ccn1C[C@H](C)[N@H+](C)Cc1ccco1 ZINC001506420594 988777018 /nfs/dbraw/zinc/77/70/18/988777018.db2.gz LHHSBWIJCRZXDF-LBPRGKRZSA-N 2 1 247.342 2.559 50 0 BFAAMP CCc1[nH+]ccn1C[C@H](C)[N@@H+](C)Cc1ccco1 ZINC001506420594 988777023 /nfs/dbraw/zinc/77/70/23/988777023.db2.gz LHHSBWIJCRZXDF-LBPRGKRZSA-N 2 1 247.342 2.559 50 0 BFAAMP C[N@H+](CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000000753468 342692474 /nfs/dbraw/zinc/69/24/74/342692474.db2.gz FPGFVAJUCDKUTM-UHFFFAOYSA-N 2 1 246.398 2.645 50 0 BFAAMP C[N@@H+](CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000000753468 342692476 /nfs/dbraw/zinc/69/24/76/342692476.db2.gz FPGFVAJUCDKUTM-UHFFFAOYSA-N 2 1 246.398 2.645 50 0 BFAAMP C[NH+]1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC000020093615 343139891 /nfs/dbraw/zinc/13/98/91/343139891.db2.gz AHEHTHILPVVQRW-UHFFFAOYSA-N 2 1 222.376 2.561 50 0 BFAAMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000034972503 343281873 /nfs/dbraw/zinc/28/18/73/343281873.db2.gz PTKLZJHYEPWSHC-ZDUSSCGKSA-N 2 1 224.392 2.783 50 0 BFAAMP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000072147873 179077431 /nfs/dbraw/zinc/07/74/31/179077431.db2.gz ZHEYJQMEURTKRJ-MRXNPFEDSA-N 2 1 244.382 2.571 50 0 BFAAMP CC(C)C[N@@H+](CC1CC[NH2+]CC1)C1CCCC1 ZINC000094848918 363085485 /nfs/dbraw/zinc/08/54/85/363085485.db2.gz UUBDTURVHGEWPD-UHFFFAOYSA-N 2 1 238.419 2.887 50 0 BFAAMP CCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000065523330 169207274 /nfs/dbraw/zinc/20/72/74/169207274.db2.gz XZKXWAXILJJOFB-ZDUSSCGKSA-N 2 1 233.359 2.534 50 0 BFAAMP CCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000065523330 169207275 /nfs/dbraw/zinc/20/72/75/169207275.db2.gz XZKXWAXILJJOFB-ZDUSSCGKSA-N 2 1 233.359 2.534 50 0 BFAAMP c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000003732451 183398758 /nfs/dbraw/zinc/39/87/58/183398758.db2.gz NTEQKPPDYLNFBT-CVEARBPZSA-N 2 1 244.382 2.651 50 0 BFAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000230136304 385709898 /nfs/dbraw/zinc/70/98/98/385709898.db2.gz MGESHONGICXGSQ-DZGCQCFKSA-N 2 1 236.403 2.735 50 0 BFAAMP C[NH+]1CCC([N@H+]2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000230136304 385709907 /nfs/dbraw/zinc/70/99/07/385709907.db2.gz MGESHONGICXGSQ-DZGCQCFKSA-N 2 1 236.403 2.735 50 0 BFAAMP C[NH+](C)CC[C@@H]1CCC[C@H]2CCCC[C@H]1[N@H+]2C ZINC000045027644 387273953 /nfs/dbraw/zinc/27/39/53/387273953.db2.gz XRCBEMFZCKZRLZ-RRFJBIMHSA-N 2 1 238.419 2.981 50 0 BFAAMP C[NH+]1CCC([NH2+]Cc2ccc(Cl)cc2)CC1 ZINC000058055236 388374151 /nfs/dbraw/zinc/37/41/51/388374151.db2.gz KYLUHXDDGXUFFY-UHFFFAOYSA-N 2 1 238.762 2.524 50 0 BFAAMP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251180700 388745846 /nfs/dbraw/zinc/74/58/46/388745846.db2.gz QTMLNUMBLBWNSJ-RDBSUJKOSA-N 2 1 236.403 2.782 50 0 BFAAMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC000222107545 170012061 /nfs/dbraw/zinc/01/20/61/170012061.db2.gz BNVNLKYMMXQHAV-GOEBONIOSA-N 2 1 246.398 2.549 50 0 BFAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000004298767 176278415 /nfs/dbraw/zinc/27/84/15/176278415.db2.gz WSVFANOWQHGVOH-NFAWXSAZSA-N 2 1 232.371 2.505 50 0 BFAAMP C[C@H]1CCC[C@@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC000004022668 177120468 /nfs/dbraw/zinc/12/04/68/177120468.db2.gz JOJOOBJTCMOJGP-GXTWGEPZSA-N 2 1 224.392 2.591 50 0 BFAAMP CCc1[nH+]ccn1C[C@@H](C)[N@H+](C)Cc1ccco1 ZINC001506420593 988777522 /nfs/dbraw/zinc/77/75/22/988777522.db2.gz LHHSBWIJCRZXDF-GFCCVEGCSA-N 2 1 247.342 2.559 50 0 BFAAMP CCc1[nH+]ccn1C[C@@H](C)[N@@H+](C)Cc1ccco1 ZINC001506420593 988777533 /nfs/dbraw/zinc/77/75/33/988777533.db2.gz LHHSBWIJCRZXDF-GFCCVEGCSA-N 2 1 247.342 2.559 50 0 BFAAMP Cc1cc(C[C@H]2CCCCC[NH2+]2)cc(C)[nH+]1 ZINC000004234902 178058597 /nfs/dbraw/zinc/05/85/97/178058597.db2.gz SPGNEZQSVLUIBF-CQSZACIVSA-N 2 1 218.344 2.773 50 0 BFAAMP CC[NH+]1CCC([NH+]2CCCCCCC2)CC1 ZINC000000279498 342682135 /nfs/dbraw/zinc/68/21/35/342682135.db2.gz PUGIXNCXHWNUKQ-UHFFFAOYSA-N 2 1 224.392 2.737 50 0 BFAAMP Cc1ccc(C)c(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000000239495 343269518 /nfs/dbraw/zinc/26/95/18/343269518.db2.gz PSMROOAGWVVFEK-UHFFFAOYSA-N 2 1 246.398 2.829 50 0 BFAAMP Cc1ccc(C)c(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000000239495 343269520 /nfs/dbraw/zinc/26/95/20/343269520.db2.gz PSMROOAGWVVFEK-UHFFFAOYSA-N 2 1 246.398 2.829 50 0 BFAAMP C[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534333 345110130 /nfs/dbraw/zinc/11/01/30/345110130.db2.gz BYNMIHNXJRUOBA-CABCVRRESA-N 2 1 246.398 2.722 50 0 BFAAMP Cc1ccccc1C[N@H+](C)C1CCN(C)CC1 ZINC000000239455 188272403 /nfs/dbraw/zinc/27/24/03/188272403.db2.gz NHGQRIDAQKEAHI-UHFFFAOYSA-N 2 1 232.371 2.521 50 0 BFAAMP Cc1ccccc1C[N@@H+](C)C1CC[NH+](C)CC1 ZINC000000239455 188272405 /nfs/dbraw/zinc/27/24/05/188272405.db2.gz NHGQRIDAQKEAHI-UHFFFAOYSA-N 2 1 232.371 2.521 50 0 BFAAMP Cc1ccccc1C[N@H+](C)C1CC[NH+](C)CC1 ZINC000000239455 188272406 /nfs/dbraw/zinc/27/24/06/188272406.db2.gz NHGQRIDAQKEAHI-UHFFFAOYSA-N 2 1 232.371 2.521 50 0 BFAAMP C(C1CCCCC1)[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000072141616 188306547 /nfs/dbraw/zinc/30/65/47/188306547.db2.gz PNLPASNFZZTOFD-OAHLLOKOSA-N 2 1 236.403 2.642 50 0 BFAAMP c1cc(C[N@H+]2CCCC3(CC[NH2+]CC3)CC2)co1 ZINC000426567179 206052770 /nfs/dbraw/zinc/05/27/70/206052770.db2.gz ZFVHGGDIHITHCT-UHFFFAOYSA-N 2 1 248.370 2.635 50 0 BFAAMP c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000101269283 183398034 /nfs/dbraw/zinc/39/80/34/183398034.db2.gz NTEQKPPDYLNFBT-HZPDHXFCSA-N 2 1 244.382 2.651 50 0 BFAAMP CC[C@H]1CN(c2cc[nH+]c(C)c2)CC[N@H+]1C(C)C ZINC000096130435 384437201 /nfs/dbraw/zinc/43/72/01/384437201.db2.gz RJNAZRRMDMWWQX-AWEZNQCLSA-N 2 1 247.386 2.699 50 0 BFAAMP C[N@@H+](Cc1ccccc1C[NH3+])C1CCCCC1 ZINC000021953177 384708973 /nfs/dbraw/zinc/70/89/73/384708973.db2.gz PJOSCUUJKFLQBZ-UHFFFAOYSA-N 2 1 232.371 2.910 50 0 BFAAMP CSCC[C@@H](C)[NH2+]CC(C)(C)[NH+]1CCCC1 ZINC000824896280 968624121 /nfs/dbraw/zinc/62/41/21/968624121.db2.gz XUNLNNHDSMVCNG-GFCCVEGCSA-N 2 1 244.448 2.592 50 0 BFAAMP CC[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000042783372 343452843 /nfs/dbraw/zinc/45/28/43/343452843.db2.gz GNOWGXOXOZXNID-KBPBESRZSA-N 2 1 224.392 2.641 50 0 BFAAMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000042783374 343453206 /nfs/dbraw/zinc/45/32/06/343453206.db2.gz UPFNTUQBZCDYAN-CQSZACIVSA-N 2 1 232.371 2.508 50 0 BFAAMP CC(C)=CC[N@H+]1CCC[C@H](Cn2ccnc2C)C1 ZINC000072174213 187276740 /nfs/dbraw/zinc/27/67/40/187276740.db2.gz KRYDTXZTNFRXDF-HNNXBMFYSA-N 2 1 247.386 2.870 50 0 BFAAMP CC(C)=CC[N@@H+]1CCC[C@H](Cn2cc[nH+]c2C)C1 ZINC000072174213 187276742 /nfs/dbraw/zinc/27/67/42/187276742.db2.gz KRYDTXZTNFRXDF-HNNXBMFYSA-N 2 1 247.386 2.870 50 0 BFAAMP CC(C)=CC[N@H+]1CCC[C@H](Cn2cc[nH+]c2C)C1 ZINC000072174213 187276744 /nfs/dbraw/zinc/27/67/44/187276744.db2.gz KRYDTXZTNFRXDF-HNNXBMFYSA-N 2 1 247.386 2.870 50 0 BFAAMP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000072147874 179076697 /nfs/dbraw/zinc/07/66/97/179076697.db2.gz ZHEYJQMEURTKRJ-INIZCTEOSA-N 2 1 244.382 2.571 50 0 BFAAMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000195545001 347460631 /nfs/dbraw/zinc/46/06/31/347460631.db2.gz QHASYNVYRJRCPZ-CABCVRRESA-N 2 1 236.403 2.664 50 0 BFAAMP CC[NH+]1CCC([N@H+](C)CCCCCF)CC1 ZINC000252499298 363452394 /nfs/dbraw/zinc/45/23/94/363452394.db2.gz RYLDSQPXFPEWDZ-UHFFFAOYSA-N 2 1 230.371 2.542 50 0 BFAAMP CC[NH+]1CCC([N@@H+](C)CCCCCF)CC1 ZINC000252499298 363452396 /nfs/dbraw/zinc/45/23/96/363452396.db2.gz RYLDSQPXFPEWDZ-UHFFFAOYSA-N 2 1 230.371 2.542 50 0 BFAAMP c1ccc(C[N@H+]2CCC[C@@]3(CCC[NH2+]C3)C2)cc1 ZINC000006223104 183399787 /nfs/dbraw/zinc/39/97/87/183399787.db2.gz VOWXMZNSTISHLF-MRXNPFEDSA-N 2 1 244.382 2.652 50 0 BFAAMP CC[N@@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC000019511828 384527373 /nfs/dbraw/zinc/52/73/73/384527373.db2.gz BIEWKBAYHYSJJN-UHFFFAOYSA-N 2 1 224.392 2.641 50 0 BFAAMP CC[C@H]1CCCC[N@@H+]1C1CC[NH+](CC)CC1 ZINC000004989272 635177778 /nfs/dbraw/zinc/17/77/78/635177778.db2.gz WAQNRVBFGZYQAE-ZDUSSCGKSA-N 2 1 224.392 2.735 50 0 BFAAMP CC[C@H]1CCCC[N@H+]1C1CC[NH+](CC)CC1 ZINC000004989272 635177782 /nfs/dbraw/zinc/17/77/82/635177782.db2.gz WAQNRVBFGZYQAE-ZDUSSCGKSA-N 2 1 224.392 2.735 50 0 BFAAMP CC[NH+]1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000000757050 342692507 /nfs/dbraw/zinc/69/25/07/342692507.db2.gz ULQDRXMANLKJMZ-UHFFFAOYSA-N 2 1 232.371 2.603 50 0 BFAAMP CC[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000000757050 342692508 /nfs/dbraw/zinc/69/25/08/342692508.db2.gz ULQDRXMANLKJMZ-UHFFFAOYSA-N 2 1 232.371 2.603 50 0 BFAAMP C[N@@H+](C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000014629109 342882880 /nfs/dbraw/zinc/88/28/80/342882880.db2.gz XLFOFZOBMGBKMZ-ONXXMXGDSA-N 2 1 222.376 2.534 50 0 BFAAMP CC[C@@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000026515075 343106592 /nfs/dbraw/zinc/10/65/92/343106592.db2.gz LRWJBGOTDCCCSZ-CQSZACIVSA-N 2 1 224.392 2.641 50 0 BFAAMP CC[C@H]1CCCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000026515076 343106655 /nfs/dbraw/zinc/10/66/55/343106655.db2.gz LRWJBGOTDCCCSZ-AWEZNQCLSA-N 2 1 224.392 2.641 50 0 BFAAMP CC[C@@H](C)[N@@H+](CCC[NH3+])Cc1cccs1 ZINC000032919836 343244598 /nfs/dbraw/zinc/24/45/98/343244598.db2.gz UYBXHGRUMLNCFN-LLVKDONJSA-N 2 1 226.389 2.697 50 0 BFAAMP C[C@@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000000278097 343269287 /nfs/dbraw/zinc/26/92/87/343269287.db2.gz YEARZNGDLMHQCC-AWEZNQCLSA-N 2 1 246.398 2.816 50 0 BFAAMP C[C@@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000000278097 343269289 /nfs/dbraw/zinc/26/92/89/343269289.db2.gz YEARZNGDLMHQCC-AWEZNQCLSA-N 2 1 246.398 2.816 50 0 BFAAMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000036156149 343310607 /nfs/dbraw/zinc/31/06/07/343310607.db2.gz DOVDXQKHZUVAJE-UHFFFAOYSA-N 2 1 232.371 2.508 50 0 BFAAMP C[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000068577301 188304710 /nfs/dbraw/zinc/30/47/10/188304710.db2.gz QEZHRHPXKIVCHH-AAEUAGOBSA-N 2 1 238.762 2.682 50 0 BFAAMP C[N@H+]1CCC[C@@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000068577301 188304711 /nfs/dbraw/zinc/30/47/11/188304711.db2.gz QEZHRHPXKIVCHH-AAEUAGOBSA-N 2 1 238.762 2.682 50 0 BFAAMP CCC[NH+]1CCC([N@H+]2CCC[C@H](C)C2)CC1 ZINC000003683507 169186089 /nfs/dbraw/zinc/18/60/89/169186089.db2.gz JYOCLHUBQHEJPC-ZDUSSCGKSA-N 2 1 224.392 2.593 50 0 BFAAMP CC[N@@H+](C[C@@H]1CCCCN1)C1CCCCC1 ZINC000019808867 384540644 /nfs/dbraw/zinc/54/06/44/384540644.db2.gz YNCHCKQOQFLUGF-ZDUSSCGKSA-N 2 1 224.392 2.783 50 0 BFAAMP Cn1cc[nH+]c1CCC[N@H+](C)CC1CCCCC1 ZINC000215920880 385852716 /nfs/dbraw/zinc/85/27/16/385852716.db2.gz KTRUGQCFTFKKRZ-UHFFFAOYSA-N 2 1 249.402 2.865 50 0 BFAAMP Cn1cc[nH+]c1CCC[N@@H+](C)CC1CCCCC1 ZINC000215920880 385852718 /nfs/dbraw/zinc/85/27/18/385852718.db2.gz KTRUGQCFTFKKRZ-UHFFFAOYSA-N 2 1 249.402 2.865 50 0 BFAAMP CN1CCC([N@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000002498927 388459952 /nfs/dbraw/zinc/45/99/52/388459952.db2.gz MGESHONGICXGSQ-UKRRQHHQSA-N 2 1 236.403 2.735 50 0 BFAAMP C[NH+]1CCC([N@@H+]2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000002498927 388459955 /nfs/dbraw/zinc/45/99/55/388459955.db2.gz MGESHONGICXGSQ-UKRRQHHQSA-N 2 1 236.403 2.735 50 0 BFAAMP CC[NH+]1CCC(Nc2[nH+]cc(C)cc2C)CC1 ZINC000394799319 388596787 /nfs/dbraw/zinc/59/67/87/388596787.db2.gz LLVZZPUXOXHYJX-UHFFFAOYSA-N 2 1 233.359 2.595 50 0 BFAAMP C[NH2+]CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000006746756 173350014 /nfs/dbraw/zinc/35/00/14/173350014.db2.gz DSQFFQFYQVGMPS-UHFFFAOYSA-N 2 1 249.745 2.910 50 0 BFAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1 ZINC000004298769 176280297 /nfs/dbraw/zinc/28/02/97/176280297.db2.gz WSVFANOWQHGVOH-UMVBOHGHSA-N 2 1 232.371 2.505 50 0 BFAAMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCCC1 ZINC000019912907 177074925 /nfs/dbraw/zinc/07/49/25/177074925.db2.gz RIISKPJSWRWGHM-ZDUSSCGKSA-N 2 1 224.392 2.783 50 0 BFAAMP C[N@H+](CCCC1CCCC1)C1CC[NH+](C)CC1 ZINC000032547841 641363669 /nfs/dbraw/zinc/36/36/69/641363669.db2.gz IHKCBNHARDKNMT-UHFFFAOYSA-N 2 1 238.419 2.983 50 0 BFAAMP C[N@@H+](CCCC1CCCC1)C1CC[NH+](C)CC1 ZINC000032547841 641363675 /nfs/dbraw/zinc/36/36/75/641363675.db2.gz IHKCBNHARDKNMT-UHFFFAOYSA-N 2 1 238.419 2.983 50 0 BFAAMP Cc1cc(C[C@@H]2CCCCC[NH2+]2)cc(C)[nH+]1 ZINC000004234901 178054591 /nfs/dbraw/zinc/05/45/91/178054591.db2.gz SPGNEZQSVLUIBF-AWEZNQCLSA-N 2 1 218.344 2.773 50 0 BFAAMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000000315888 342682993 /nfs/dbraw/zinc/68/29/93/342682993.db2.gz DMNFRUBLQLMLAO-UHFFFAOYSA-N 2 1 246.398 2.991 50 0 BFAAMP C[NH+]1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000002498813 342721506 /nfs/dbraw/zinc/72/15/06/342721506.db2.gz VFZFOACCGQGXNR-INIZCTEOSA-N 2 1 244.382 2.748 50 0 BFAAMP CC[N@H+](Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC000035335423 342774714 /nfs/dbraw/zinc/77/47/14/342774714.db2.gz KMYNELBIYPLPFD-UHFFFAOYSA-N 2 1 246.398 2.993 50 0 BFAAMP CC[N@@H+](Cc1ccccc1)C1CC[NH+](CC)CC1 ZINC000035335423 342774716 /nfs/dbraw/zinc/77/47/16/342774716.db2.gz KMYNELBIYPLPFD-UHFFFAOYSA-N 2 1 246.398 2.993 50 0 BFAAMP C[C@H](C[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000000278096 343269243 /nfs/dbraw/zinc/26/92/43/343269243.db2.gz YEARZNGDLMHQCC-CQSZACIVSA-N 2 1 246.398 2.816 50 0 BFAAMP C[C@H](C[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000000278096 343269244 /nfs/dbraw/zinc/26/92/44/343269244.db2.gz YEARZNGDLMHQCC-CQSZACIVSA-N 2 1 246.398 2.816 50 0 BFAAMP CCC[NH+]1CCC([NH+]2CCCCCC2)CC1 ZINC000003683628 169187234 /nfs/dbraw/zinc/18/72/34/169187234.db2.gz BHGTYYUJPRPDNW-UHFFFAOYSA-N 2 1 224.392 2.737 50 0 BFAAMP CCC[NH+]1CCC([N@H+]2CCC[C@@H](C)C2)CC1 ZINC000003683505 169187430 /nfs/dbraw/zinc/18/74/30/169187430.db2.gz JYOCLHUBQHEJPC-CYBMUJFWSA-N 2 1 224.392 2.593 50 0 BFAAMP C[N@@H+](Cc1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000036300891 383895854 /nfs/dbraw/zinc/89/58/54/383895854.db2.gz XNSSFAAFRNPCSV-UHFFFAOYSA-N 2 1 238.762 2.524 50 0 BFAAMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000062151979 385162198 /nfs/dbraw/zinc/16/21/98/385162198.db2.gz KKVIPCWNLAUNJZ-JSGCOSHPSA-N 2 1 220.360 2.711 50 0 BFAAMP Cc1ccc(C[N@H+](C)CCn2cc[nH+]c2C)s1 ZINC000215367157 411303128 /nfs/dbraw/zinc/30/31/28/411303128.db2.gz OIDSBUMUPNNMIX-UHFFFAOYSA-N 2 1 249.383 2.693 50 0 BFAAMP Cc1ccc(C[N@@H+](C)CCn2cc[nH+]c2C)s1 ZINC000215367157 411303132 /nfs/dbraw/zinc/30/31/32/411303132.db2.gz OIDSBUMUPNNMIX-UHFFFAOYSA-N 2 1 249.383 2.693 50 0 BFAAMP C[C@@H]1C[C@](CC[NH3+])(c2ccccc2)[C@H](C)C[N@H+]1C ZINC000004031405 176280381 /nfs/dbraw/zinc/28/03/81/176280381.db2.gz XTILSTQWLFVMKB-FMKPAKJESA-N 2 1 246.398 2.633 50 0 BFAAMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000000757627 342692492 /nfs/dbraw/zinc/69/24/92/342692492.db2.gz YCHOAJGUGVCVSR-KCQAQPDRSA-N 2 1 238.419 2.885 50 0 BFAAMP C[NH+]1CCC([N@@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000000757850 342692502 /nfs/dbraw/zinc/69/25/02/342692502.db2.gz MGESHONGICXGSQ-HIFRSBDPSA-N 2 1 236.403 2.735 50 0 BFAAMP C[NH+]1CCC([N@H+]2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000000757850 342692503 /nfs/dbraw/zinc/69/25/03/342692503.db2.gz MGESHONGICXGSQ-HIFRSBDPSA-N 2 1 236.403 2.735 50 0 BFAAMP CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000020270220 342979428 /nfs/dbraw/zinc/97/94/28/342979428.db2.gz XVMDVZQLPOVYQP-OAHLLOKOSA-N 2 1 232.371 2.508 50 0 BFAAMP CCCC[N@@H+](CC)Cc1cccc(C[NH3+])c1 ZINC000021951776 343029124 /nfs/dbraw/zinc/02/91/24/343029124.db2.gz PCJUWWQVIRPNLZ-UHFFFAOYSA-N 2 1 220.360 2.767 50 0 BFAAMP C[N@@H+](CC1CC[NH2+]CC1)C1CCCCCC1 ZINC000036328715 343315557 /nfs/dbraw/zinc/31/55/57/343315557.db2.gz WDRSRIUDUFMGAO-UHFFFAOYSA-N 2 1 224.392 2.641 50 0 BFAAMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCCCC1 ZINC000097234868 344102791 /nfs/dbraw/zinc/10/27/91/344102791.db2.gz ASCSZUUNDRFQNB-UHFFFAOYSA-N 2 1 233.359 2.570 50 0 BFAAMP C[N@H+](CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000023281271 360197494 /nfs/dbraw/zinc/19/74/94/360197494.db2.gz UFLUNETWVAXHPX-UHFFFAOYSA-N 2 1 224.392 2.593 50 0 BFAAMP C[N@@H+](CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000023281271 360197500 /nfs/dbraw/zinc/19/75/00/360197500.db2.gz UFLUNETWVAXHPX-UHFFFAOYSA-N 2 1 224.392 2.593 50 0 BFAAMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000195545002 361701839 /nfs/dbraw/zinc/70/18/39/361701839.db2.gz QHASYNVYRJRCPZ-HUUCEWRRSA-N 2 1 236.403 2.664 50 0 BFAAMP CCC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000132295592 169176644 /nfs/dbraw/zinc/17/66/44/169176644.db2.gz ACJCBEPQNIHMRH-INIZCTEOSA-N 2 1 246.398 2.898 50 0 BFAAMP c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000101269286 183399823 /nfs/dbraw/zinc/39/98/23/183399823.db2.gz NTEQKPPDYLNFBT-JKSUJKDBSA-N 2 1 244.382 2.651 50 0 BFAAMP C[NH+](C)CCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000017118024 384482579 /nfs/dbraw/zinc/48/25/79/384482579.db2.gz YFSUTRPECZEFJM-UHFFFAOYSA-N 2 1 249.745 2.862 50 0 BFAAMP c1ccc2c(c1)CC[N@@H+](CC[C@H]1CCCC[NH2+]1)C2 ZINC000020180444 384588078 /nfs/dbraw/zinc/58/80/78/384588078.db2.gz ICRNZAYOYYOZSQ-MRXNPFEDSA-N 2 1 244.382 2.577 50 0 BFAAMP c1ccc2c(c1)CC[N@H+](CC[C@H]1CCCC[NH2+]1)C2 ZINC000020180444 384588088 /nfs/dbraw/zinc/58/80/88/384588088.db2.gz ICRNZAYOYYOZSQ-MRXNPFEDSA-N 2 1 244.382 2.577 50 0 BFAAMP CC(C)[N@H+]1CC2(CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000169676564 385417425 /nfs/dbraw/zinc/41/74/25/385417425.db2.gz WIGXVRONOWQAGG-OAHLLOKOSA-N 2 1 244.382 2.822 50 0 BFAAMP CC(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000008731130 167003902 /nfs/dbraw/zinc/00/39/02/167003902.db2.gz DSEDDRZWTWXAIN-UHFFFAOYSA-N 2 1 246.398 2.897 50 0 BFAAMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCCCCC1 ZINC000004985713 173027678 /nfs/dbraw/zinc/02/76/78/173027678.db2.gz BQRISDKXWFCCJB-CQSZACIVSA-N 2 1 224.392 2.783 50 0 BFAAMP C[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000068577299 173040406 /nfs/dbraw/zinc/04/04/06/173040406.db2.gz QEZHRHPXKIVCHH-YPMHNXCESA-N 2 1 238.762 2.682 50 0 BFAAMP C[N@H+]1CCC[C@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000068577299 173040408 /nfs/dbraw/zinc/04/04/08/173040408.db2.gz QEZHRHPXKIVCHH-YPMHNXCESA-N 2 1 238.762 2.682 50 0 BFAAMP Cc1cccc(N2CCC([N@@H+](C)C(C)C)CC2)[nH+]1 ZINC000097104557 487831679 /nfs/dbraw/zinc/83/16/79/487831679.db2.gz VYKAJIIBQZWBQI-UHFFFAOYSA-N 2 1 247.386 2.699 50 0 BFAAMP Cc1cccc(N2CCC([N@H+](C)C(C)C)CC2)[nH+]1 ZINC000097104557 487831686 /nfs/dbraw/zinc/83/16/86/487831686.db2.gz VYKAJIIBQZWBQI-UHFFFAOYSA-N 2 1 247.386 2.699 50 0 BFAAMP C(C[N@H+]1CCC2(CCC2)C1)C[NH+]1CCCCC1 ZINC000097103364 491125094 /nfs/dbraw/zinc/12/50/94/491125094.db2.gz FGSDGVZIRNYRNL-UHFFFAOYSA-N 2 1 236.403 2.738 50 0 BFAAMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000004022538 342740975 /nfs/dbraw/zinc/74/09/75/342740975.db2.gz YCHOAJGUGVCVSR-VNHYZAJKSA-N 2 1 238.419 2.885 50 0 BFAAMP CCC[NH+]1CCC([N@@H+]2CCCC[C@H]2C)CC1 ZINC000004989470 343273621 /nfs/dbraw/zinc/27/36/21/343273621.db2.gz ZQTVXCHWJBAUDF-CYBMUJFWSA-N 2 1 224.392 2.735 50 0 BFAAMP CCC[NH+]1CCC([N@H+]2CCCC[C@H]2C)CC1 ZINC000004989470 343273624 /nfs/dbraw/zinc/27/36/24/343273624.db2.gz ZQTVXCHWJBAUDF-CYBMUJFWSA-N 2 1 224.392 2.735 50 0 BFAAMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000042783369 343453212 /nfs/dbraw/zinc/45/32/12/343453212.db2.gz APDKCTUOVXSYTM-ZDUSSCGKSA-N 2 1 224.392 2.641 50 0 BFAAMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000062151985 343733912 /nfs/dbraw/zinc/73/39/12/343733912.db2.gz KKVIPCWNLAUNJZ-TZMCWYRMSA-N 2 1 220.360 2.711 50 0 BFAAMP [NH3+]CCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000001687510 181383325 /nfs/dbraw/zinc/38/33/25/181383325.db2.gz YXPOTYIIRALLPH-UHFFFAOYSA-N 2 1 235.718 2.649 50 0 BFAAMP CCC[N@H+](CC1CC1)C1CC[NH+](CC)CC1 ZINC000003683562 169137579 /nfs/dbraw/zinc/13/75/79/169137579.db2.gz VPEOJSPXPZVDHN-UHFFFAOYSA-N 2 1 224.392 2.593 50 0 BFAAMP CCC[N@@H+](CC1CC1)C1CC[NH+](CC)CC1 ZINC000003683562 169137581 /nfs/dbraw/zinc/13/75/81/169137581.db2.gz VPEOJSPXPZVDHN-UHFFFAOYSA-N 2 1 224.392 2.593 50 0 BFAAMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000042783385 384245107 /nfs/dbraw/zinc/24/51/07/384245107.db2.gz QOVCYXIIAJNORN-HNNXBMFYSA-N 2 1 246.398 2.898 50 0 BFAAMP CCCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000075847972 384342749 /nfs/dbraw/zinc/34/27/49/384342749.db2.gz UQHMEAZLQPVXPC-KBPBESRZSA-N 2 1 224.392 2.641 50 0 BFAAMP CC[N@H+]1CC[C@H]([NH2+]CCCC(C)C)[C@H](C)C1 ZINC000095967202 170021541 /nfs/dbraw/zinc/02/15/41/170021541.db2.gz PKAFQOIFROJWGF-KGLIPLIRSA-N 2 1 226.408 2.743 50 0 BFAAMP C[N@@H+](C1CCCCC1)C1CCC([NH3+])CC1 ZINC000055144267 172598221 /nfs/dbraw/zinc/59/82/21/172598221.db2.gz QWQBDXHRZMHGIG-UHFFFAOYSA-N 2 1 210.365 2.521 50 0 BFAAMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000021952182 176073001 /nfs/dbraw/zinc/07/30/01/176073001.db2.gz RNFKVHRDFQMOCR-GFCCVEGCSA-N 2 1 218.344 2.520 50 0 BFAAMP C[C@@H]1C[C@@](CC[NH3+])(c2ccccc2)[C@H](C)C[N@H+]1C ZINC000004031403 176277912 /nfs/dbraw/zinc/27/79/12/176277912.db2.gz XTILSTQWLFVMKB-IIAWOOMASA-N 2 1 246.398 2.633 50 0 BFAAMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH3+] ZINC000021952184 177076829 /nfs/dbraw/zinc/07/68/29/177076829.db2.gz RNFKVHRDFQMOCR-LBPRGKRZSA-N 2 1 218.344 2.520 50 0 BFAAMP C[C@H]1CCC[C@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC000000757797 177134702 /nfs/dbraw/zinc/13/47/02/177134702.db2.gz JOJOOBJTCMOJGP-JSGCOSHPSA-N 2 1 224.392 2.591 50 0 BFAAMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH3+])cc2)C1 ZINC000021952067 177314953 /nfs/dbraw/zinc/31/49/53/177314953.db2.gz YMVFPSOLZLYHIV-BETUJISGSA-N 2 1 232.371 2.623 50 0 BFAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000004298768 177370770 /nfs/dbraw/zinc/37/07/70/177370770.db2.gz WSVFANOWQHGVOH-IPYPFGDCSA-N 2 1 232.371 2.505 50 0 BFAAMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000249700859 521580433 /nfs/dbraw/zinc/58/04/33/521580433.db2.gz YCHOAJGUGVCVSR-UMVBOHGHSA-N 2 1 238.419 2.885 50 0 BFAAMP CC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000011953345 342844931 /nfs/dbraw/zinc/84/49/31/342844931.db2.gz SYHZXUDHPUMGHQ-UHFFFAOYSA-N 2 1 232.371 2.508 50 0 BFAAMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000034972504 343281881 /nfs/dbraw/zinc/28/18/81/343281881.db2.gz PTKLZJHYEPWSHC-CYBMUJFWSA-N 2 1 224.392 2.783 50 0 BFAAMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000042783370 343453075 /nfs/dbraw/zinc/45/30/75/343453075.db2.gz APDKCTUOVXSYTM-CYBMUJFWSA-N 2 1 224.392 2.641 50 0 BFAAMP c1cc(C[NH2+]CCC[NH+]2CCCCC2)cs1 ZINC000020128736 183349558 /nfs/dbraw/zinc/34/95/58/183349558.db2.gz CMYICNZMORFYGZ-UHFFFAOYSA-N 2 1 238.400 2.714 50 0 BFAAMP CC1(C)CC([NH2+]Cc2ccco2)CC(C)(C)[NH2+]1 ZINC000000091494 383824188 /nfs/dbraw/zinc/82/41/88/383824188.db2.gz MLCJEYPZOBAFBT-UHFFFAOYSA-N 2 1 236.359 2.678 50 0 BFAAMP CCCC[NH2+]C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072323939 384207535 /nfs/dbraw/zinc/20/75/35/384207535.db2.gz UQHMEAZLQPVXPC-UONOGXRCSA-N 2 1 224.392 2.641 50 0 biogenic BFAAMP C[N@H+]1CCC[C@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000082328950 173040828 /nfs/dbraw/zinc/04/08/28/173040828.db2.gz QEZHRHPXKIVCHH-DGCLKSJQSA-N 2 1 238.762 2.682 50 0 BFAAMP C[N@@H+]1CCC[C@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000082328950 173040826 /nfs/dbraw/zinc/04/08/26/173040826.db2.gz QEZHRHPXKIVCHH-DGCLKSJQSA-N 2 1 238.762 2.682 50 0 BFAAMP C[C@@H](c1cccs1)[N@@H+](C)CCc1cncn1C ZINC000253429616 176032662 /nfs/dbraw/zinc/03/26/62/176032662.db2.gz NWKODQQICZYGKU-NSHDSACASA-N 2 1 249.383 2.717 50 0 BFAAMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH3+])cc1 ZINC000021951551 176072919 /nfs/dbraw/zinc/07/29/19/176072919.db2.gz ISQZMUGCUSTZKP-GFCCVEGCSA-N 2 1 218.344 2.520 50 0 BFAAMP C[C@@H]1CCC[C@H]([N@@H+](C)C2CCN(C)CC2)C1 ZINC000004022666 176140923 /nfs/dbraw/zinc/14/09/23/176140923.db2.gz JOJOOBJTCMOJGP-OCCSQVGLSA-N 2 1 224.392 2.591 50 0 BFAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000004454389 177370121 /nfs/dbraw/zinc/37/01/21/177370121.db2.gz KPRIEJCCTJJFOU-YCPHGPKFSA-N 2 1 246.398 2.547 50 0 BFAAMP C[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000002498815 342721550 /nfs/dbraw/zinc/72/15/50/342721550.db2.gz VFZFOACCGQGXNR-MRXNPFEDSA-N 2 1 244.382 2.748 50 0 BFAAMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000042783373 343453216 /nfs/dbraw/zinc/45/32/16/343453216.db2.gz UPFNTUQBZCDYAN-AWEZNQCLSA-N 2 1 232.371 2.508 50 0 BFAAMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000012506015 181345208 /nfs/dbraw/zinc/34/52/08/181345208.db2.gz UWEVJKJUENNRQT-GOOCMWNKSA-N 2 1 230.355 2.531 50 0 BFAAMP c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037859633 183397938 /nfs/dbraw/zinc/39/79/38/183397938.db2.gz NTEQKPPDYLNFBT-HOTGVXAUSA-N 2 1 244.382 2.651 50 0 BFAAMP c1ccc(C[N@H+]2CCC[C@]3(CCC[NH2+]C3)C2)cc1 ZINC000006223102 183398990 /nfs/dbraw/zinc/39/89/90/183398990.db2.gz VOWXMZNSTISHLF-INIZCTEOSA-N 2 1 244.382 2.652 50 0 BFAAMP Cc1ccccc1[C@@H](C[NH3+])N1CCC(C)CC1 ZINC000095100159 384365688 /nfs/dbraw/zinc/36/56/88/384365688.db2.gz ZYKVFXBMJPZELG-OAHLLOKOSA-N 2 1 232.371 2.727 50 0 BFAAMP CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248808 388241102 /nfs/dbraw/zinc/24/11/02/388241102.db2.gz YNZABZAEMIBGRX-ZDUSSCGKSA-N 2 1 246.398 2.994 50 0 BFAAMP CC(C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000037515568 167094252 /nfs/dbraw/zinc/09/42/52/167094252.db2.gz QVDICKRPZRCVCR-UHFFFAOYSA-N 2 1 246.398 2.692 50 0 BFAAMP CC[N@H+]1CC[C@H]([NH2+]CCCC(C)C)[C@@H](C)C1 ZINC000221874577 170020216 /nfs/dbraw/zinc/02/02/16/170020216.db2.gz PKAFQOIFROJWGF-KBPBESRZSA-N 2 1 226.408 2.743 50 0 BFAAMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000062151982 343733705 /nfs/dbraw/zinc/73/37/05/343733705.db2.gz KKVIPCWNLAUNJZ-OCCSQVGLSA-N 2 1 220.360 2.711 50 0 BFAAMP CC[NH+]1CCC([N@H+](C)CCc2ccccc2)CC1 ZINC000000756983 345975872 /nfs/dbraw/zinc/97/58/72/345975872.db2.gz IJBQHLTUBIZSDH-UHFFFAOYSA-N 2 1 246.398 2.645 50 0 BFAAMP CC[NH+]1CCC([N@@H+](C)CCc2ccccc2)CC1 ZINC000000756983 345975876 /nfs/dbraw/zinc/97/58/76/345975876.db2.gz IJBQHLTUBIZSDH-UHFFFAOYSA-N 2 1 246.398 2.645 50 0 BFAAMP CCC[N@H+](CC1CC1)C1CC[NH+](CCC)CC1 ZINC000003683620 169186620 /nfs/dbraw/zinc/18/66/20/169186620.db2.gz KRXVSNSIUXBPMC-UHFFFAOYSA-N 2 1 238.419 2.983 50 0 BFAAMP CCC[N@@H+](CC1CC1)C1CC[NH+](CCC)CC1 ZINC000003683620 169186622 /nfs/dbraw/zinc/18/66/22/169186622.db2.gz KRXVSNSIUXBPMC-UHFFFAOYSA-N 2 1 238.419 2.983 50 0 BFAAMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000042783386 384245296 /nfs/dbraw/zinc/24/52/96/384245296.db2.gz QOVCYXIIAJNORN-OAHLLOKOSA-N 2 1 246.398 2.898 50 0 BFAAMP CC[NH+](CC)CCC[N@@H+]1CCSC(C)(C)C1 ZINC000097105649 384357614 /nfs/dbraw/zinc/35/76/14/384357614.db2.gz MKYXJTOZCQFPAM-UHFFFAOYSA-N 2 1 244.448 2.546 50 0 BFAAMP CC[NH+](CC)CCC[N@H+]1CCSC(C)(C)C1 ZINC000097105649 384357617 /nfs/dbraw/zinc/35/76/17/384357617.db2.gz MKYXJTOZCQFPAM-UHFFFAOYSA-N 2 1 244.448 2.546 50 0 BFAAMP CC[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000019435640 384521220 /nfs/dbraw/zinc/52/12/20/384521220.db2.gz PHFCZQZHJYWZDT-CYBMUJFWSA-N 2 1 224.392 2.641 50 0 BFAAMP CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248806 388241649 /nfs/dbraw/zinc/24/16/49/388241649.db2.gz YNZABZAEMIBGRX-CYBMUJFWSA-N 2 1 246.398 2.994 50 0 BFAAMP C[NH+]1CCC([NH2+]Cc2cccc(Cl)c2)CC1 ZINC000000279896 388614686 /nfs/dbraw/zinc/61/46/86/388614686.db2.gz AJVIFRCZRIRWPP-UHFFFAOYSA-N 2 1 238.762 2.524 50 0 BFAAMP CC[N@H+]1CC[C@@H]([NH2+]CCCC(C)C)[C@@H](C)C1 ZINC000221874523 170011642 /nfs/dbraw/zinc/01/16/42/170011642.db2.gz PKAFQOIFROJWGF-UONOGXRCSA-N 2 1 226.408 2.743 50 0 BFAAMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH3+])C1 ZINC000020284060 177314732 /nfs/dbraw/zinc/31/47/32/177314732.db2.gz DFPKKVOOAFAELB-BETUJISGSA-N 2 1 232.371 2.623 50 0 BFAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1 ZINC000004298770 177332763 /nfs/dbraw/zinc/33/27/63/177332763.db2.gz WSVFANOWQHGVOH-VNHYZAJKSA-N 2 1 232.371 2.505 50 0 BFAAMP CC[NH+]1CCC([N@H+](C)C2CCCCC2)CC1 ZINC000000279578 642765206 /nfs/dbraw/zinc/76/52/06/642765206.db2.gz SVTGRFRTPOBUQG-UHFFFAOYSA-N 2 1 224.392 2.735 50 0 BFAAMP CC[NH+]1CCC([N@@H+](C)C2CCCCC2)CC1 ZINC000000279578 642765211 /nfs/dbraw/zinc/76/52/11/642765211.db2.gz SVTGRFRTPOBUQG-UHFFFAOYSA-N 2 1 224.392 2.735 50 0 BFAAMP CC(C)c1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000037248606 361779237 /nfs/dbraw/zinc/77/92/37/361779237.db2.gz MECBJLGGZOUDHV-UHFFFAOYSA-N 2 1 246.398 2.994 50 0 BFAAMP CC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000020270221 342979534 /nfs/dbraw/zinc/97/95/34/342979534.db2.gz XVMDVZQLPOVYQP-HNNXBMFYSA-N 2 1 232.371 2.508 50 0 BFAAMP Cc1ccc([C@H](C[NH3+])N2CCCCCC2)cc1 ZINC000032522377 343237131 /nfs/dbraw/zinc/23/71/31/343237131.db2.gz COBRLUMEMZKHLA-HNNXBMFYSA-N 2 1 232.371 2.871 50 0 BFAAMP C[NH+]1CCC([NH2+]C23CC4CC(CC(C4)C2)C3)CC1 ZINC000004022073 343272718 /nfs/dbraw/zinc/27/27/18/343272718.db2.gz ZYXBTXPCMTYJSD-UHFFFAOYSA-N 2 1 248.414 2.639 50 0 BFAAMP CC[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000101001047 344418572 /nfs/dbraw/zinc/41/85/72/344418572.db2.gz CMFAWHXFZMVYBW-GASCZTMLSA-N 2 1 232.371 2.778 50 0 BFAAMP CC[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000247963567 344992818 /nfs/dbraw/zinc/99/28/18/344992818.db2.gz GNOWGXOXOZXNID-ZIAGYGMSSA-N 2 1 224.392 2.641 50 0 BFAAMP CCCn1cc[nH+]c1CCC[N@H+](C)C1CCC1 ZINC000194839166 188175470 /nfs/dbraw/zinc/17/54/70/188175470.db2.gz QKHJDYUXJCPTRH-UHFFFAOYSA-N 2 1 235.375 2.710 50 0 BFAAMP CCCn1cc[nH+]c1CCC[N@@H+](C)C1CCC1 ZINC000194839166 188175471 /nfs/dbraw/zinc/17/54/71/188175471.db2.gz QKHJDYUXJCPTRH-UHFFFAOYSA-N 2 1 235.375 2.710 50 0 BFAAMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000036156151 383882993 /nfs/dbraw/zinc/88/29/93/383882993.db2.gz MQBLGWJPBBFNDP-UHFFFAOYSA-N 2 1 246.398 2.898 50 0 BFAAMP CC[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000019435642 384522268 /nfs/dbraw/zinc/52/22/68/384522268.db2.gz PHFCZQZHJYWZDT-ZDUSSCGKSA-N 2 1 224.392 2.641 50 0 BFAAMP C[N@H+](Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000032916956 385190259 /nfs/dbraw/zinc/19/02/59/385190259.db2.gz JSVVRGHGFPQDNT-UHFFFAOYSA-N 2 1 238.762 2.524 50 0 BFAAMP C[N@@H+](Cc1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000032916956 385190264 /nfs/dbraw/zinc/19/02/64/385190264.db2.gz JSVVRGHGFPQDNT-UHFFFAOYSA-N 2 1 238.762 2.524 50 0 BFAAMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000062151981 385162865 /nfs/dbraw/zinc/16/28/65/385162865.db2.gz KKVIPCWNLAUNJZ-GXTWGEPZSA-N 2 1 220.360 2.711 50 0 BFAAMP CC/C=C\CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065461339 387958623 /nfs/dbraw/zinc/95/86/23/387958623.db2.gz NJJKJTJKGUIDQA-TYHIMRJMSA-N 2 1 222.376 2.559 50 0 BFAAMP CC/C=C\CCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000065461339 387958627 /nfs/dbraw/zinc/95/86/27/387958627.db2.gz NJJKJTJKGUIDQA-TYHIMRJMSA-N 2 1 222.376 2.559 50 0 BFAAMP CCC(CC)c1[nH+]ccn1CCC[NH+](C)C ZINC000067756332 388407051 /nfs/dbraw/zinc/40/70/51/388407051.db2.gz FTNGOCGDWFRSAU-UHFFFAOYSA-N 2 1 223.364 2.738 50 0 BFAAMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC000095967110 170013195 /nfs/dbraw/zinc/01/31/95/170013195.db2.gz BNVNLKYMMXQHAV-GDBMZVCRSA-N 2 1 246.398 2.549 50 0 BFAAMP CC[C@H](C)[N@@H+](CCC[NH3+])Cc1cccs1 ZINC000032919838 171313335 /nfs/dbraw/zinc/31/33/35/171313335.db2.gz UYBXHGRUMLNCFN-NSHDSACASA-N 2 1 226.389 2.697 50 0 BFAAMP CCc1nccn1C[C@@H](C)[N@@H+](C)Cc1ccoc1 ZINC001506399726 988774770 /nfs/dbraw/zinc/77/47/70/988774770.db2.gz CSDCZPURWLCZJX-GFCCVEGCSA-N 2 1 247.342 2.559 50 0 BFAAMP C[N@@H+](CC[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000020180446 342974889 /nfs/dbraw/zinc/97/48/89/342974889.db2.gz BPRVCAZGIWLXRM-HNNXBMFYSA-N 2 1 232.371 2.651 50 0 BFAAMP CCC[NH+]1CCC([N@@H+]2CCCC[C@@H]2C)CC1 ZINC000000280376 343269212 /nfs/dbraw/zinc/26/92/12/343269212.db2.gz ZQTVXCHWJBAUDF-ZDUSSCGKSA-N 2 1 224.392 2.735 50 0 BFAAMP CCC[NH+]1CCC([N@H+]2CCCC[C@@H]2C)CC1 ZINC000000280376 343269214 /nfs/dbraw/zinc/26/92/14/343269214.db2.gz ZQTVXCHWJBAUDF-ZDUSSCGKSA-N 2 1 224.392 2.735 50 0 BFAAMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000034972506 343281929 /nfs/dbraw/zinc/28/19/29/343281929.db2.gz QXTJESJLPNPKOS-UHFFFAOYSA-N 2 1 224.392 2.641 50 0 BFAAMP CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089919262 344263348 /nfs/dbraw/zinc/26/33/48/344263348.db2.gz QTMLNUMBLBWNSJ-MJBXVCDLSA-N 2 1 236.403 2.782 50 0 BFAAMP C[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534337 345110796 /nfs/dbraw/zinc/11/07/96/345110796.db2.gz BYNMIHNXJRUOBA-HUUCEWRRSA-N 2 1 246.398 2.722 50 0 BFAAMP CC[N@@H+](Cc1ccccc1)C1CCN(C)CC1 ZINC000000181937 360083748 /nfs/dbraw/zinc/08/37/48/360083748.db2.gz MKHUYGWYTBXICL-UHFFFAOYSA-N 2 1 232.371 2.603 50 0 BFAAMP CCC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000132295368 169177524 /nfs/dbraw/zinc/17/75/24/169177524.db2.gz ACJCBEPQNIHMRH-MRXNPFEDSA-N 2 1 246.398 2.898 50 0 BFAAMP CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000008731129 169255339 /nfs/dbraw/zinc/25/53/39/169255339.db2.gz ZSFAYUNTAZFHHB-UHFFFAOYSA-N 2 1 232.371 2.651 50 0 BFAAMP c1ccc(C[NH+]2CCC3(CCCC[NH2+]3)CC2)cc1 ZINC000052537244 183396189 /nfs/dbraw/zinc/39/61/89/183396189.db2.gz KPTIPFMUKHVJGL-UHFFFAOYSA-N 2 1 244.382 2.795 50 0 BFAAMP C[C@@]12C[NH2+]C[C@@](C)(C[N@@H+](Cc3ccccc3)C1)C2 ZINC000000342439 383857100 /nfs/dbraw/zinc/85/71/00/383857100.db2.gz RPDROMBVACPETO-IYBDPMFKSA-N 2 1 244.382 2.508 50 0 biogenic BFAAMP [NH3+]C[C@@H](c1cccs1)N1CCCCCC1 ZINC000019201145 384511983 /nfs/dbraw/zinc/51/19/83/384511983.db2.gz HFJGSTGLKXVXAC-NSHDSACASA-N 2 1 224.373 2.624 50 0 BFAAMP CC[C@H]1CCCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC000248022170 384582490 /nfs/dbraw/zinc/58/24/90/384582490.db2.gz JPRFWBGCRQMGHE-KGLIPLIRSA-N 2 1 224.392 2.783 50 0 BFAAMP c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000089834886 388369426 /nfs/dbraw/zinc/36/94/26/388369426.db2.gz LDDZSDKWHKWEAK-INIZCTEOSA-N 2 1 244.382 2.604 50 0 BFAAMP CC(C)=CC[N@H+]1CCC[C@@H](Cn2ccnc2C)C1 ZINC000072174212 397978994 /nfs/dbraw/zinc/97/89/94/397978994.db2.gz KRYDTXZTNFRXDF-OAHLLOKOSA-N 2 1 247.386 2.870 50 0 BFAAMP CC(C)=CC[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2C)C1 ZINC000072174212 397978999 /nfs/dbraw/zinc/97/89/99/397978999.db2.gz KRYDTXZTNFRXDF-OAHLLOKOSA-N 2 1 247.386 2.870 50 0 BFAAMP CC(C)=CC[N@H+]1CCC[C@@H](Cn2cc[nH+]c2C)C1 ZINC000072174212 397979004 /nfs/dbraw/zinc/97/90/04/397979004.db2.gz KRYDTXZTNFRXDF-OAHLLOKOSA-N 2 1 247.386 2.870 50 0 BFAAMP C[NH2+]CCC[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000057362401 173348584 /nfs/dbraw/zinc/34/85/84/173348584.db2.gz YZBAPRCKPXIBPV-UHFFFAOYSA-N 2 1 247.169 2.693 50 0 BFAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1 ZINC000033936154 176278381 /nfs/dbraw/zinc/27/83/81/176278381.db2.gz KPRIEJCCTJJFOU-IIAWOOMASA-N 2 1 246.398 2.547 50 0 BFAAMP CC(C)c1[nH+]ccn1CCC[NH2+]Cc1ccoc1 ZINC000952970207 644445936 /nfs/dbraw/zinc/44/59/36/644445936.db2.gz TZOMFILYIPZDKH-UHFFFAOYSA-N 2 1 247.342 2.779 50 0 BFAAMP CC[C@@H]1CCCC[N@H+]1CC[C@H]1CCCC[NH2+]1 ZINC000248022172 345015233 /nfs/dbraw/zinc/01/52/33/345015233.db2.gz JPRFWBGCRQMGHE-ZIAGYGMSSA-N 2 1 224.392 2.783 50 0 BFAAMP C[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534332 345109818 /nfs/dbraw/zinc/10/98/18/345109818.db2.gz BYNMIHNXJRUOBA-GJZGRUSLSA-N 2 1 246.398 2.722 50 0 BFAAMP Cc1cccc(C[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000000236790 179063446 /nfs/dbraw/zinc/06/34/46/179063446.db2.gz NBLGRGYUWNQNTE-UHFFFAOYSA-N 2 1 232.371 2.521 50 0 BFAAMP Cc1cccc(C[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000000236790 179063449 /nfs/dbraw/zinc/06/34/49/179063449.db2.gz NBLGRGYUWNQNTE-UHFFFAOYSA-N 2 1 232.371 2.521 50 0 BFAAMP [NH3+]CCCCCC[N@H+]1CCc2ccccc2C1 ZINC000002029199 181374831 /nfs/dbraw/zinc/37/48/31/181374831.db2.gz BOWQTBRKCAPHPB-UHFFFAOYSA-N 2 1 232.371 2.564 50 0 BFAAMP C[NH+](C)CC[C@H]1CCC[C@H]2CCCC[C@H]1[N@H+]2C ZINC000101036078 368384232 /nfs/dbraw/zinc/38/42/32/368384232.db2.gz XRCBEMFZCKZRLZ-RBSFLKMASA-N 2 1 238.419 2.981 50 0 BFAAMP c1ccc(C[N@H+]2CCCCC23CC[NH2+]CC3)cc1 ZINC000059099618 183397206 /nfs/dbraw/zinc/39/72/06/183397206.db2.gz QKKQOABRVDBFKQ-UHFFFAOYSA-N 2 1 244.382 2.795 50 0 BFAAMP CC[C@@H]1CN(c2cc[nH+]c(C)c2)CC[N@H+]1C(C)C ZINC000096130434 384436921 /nfs/dbraw/zinc/43/69/21/384436921.db2.gz RJNAZRRMDMWWQX-CQSZACIVSA-N 2 1 247.386 2.699 50 0 BFAAMP CC[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000247963562 384547877 /nfs/dbraw/zinc/54/78/77/384547877.db2.gz GNOWGXOXOZXNID-KGLIPLIRSA-N 2 1 224.392 2.641 50 0 BFAAMP c1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCCC[NH2+]1)C2 ZINC000020180442 384588500 /nfs/dbraw/zinc/58/85/00/384588500.db2.gz ICRNZAYOYYOZSQ-INIZCTEOSA-N 2 1 244.382 2.577 50 0 BFAAMP c1ccc2c(c1)CC[N@H+](CC[C@@H]1CCCC[NH2+]1)C2 ZINC000020180442 384588505 /nfs/dbraw/zinc/58/85/05/384588505.db2.gz ICRNZAYOYYOZSQ-INIZCTEOSA-N 2 1 244.382 2.577 50 0 BFAAMP CCCC[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000085389419 384941621 /nfs/dbraw/zinc/94/16/21/384941621.db2.gz UQHMEAZLQPVXPC-ZIAGYGMSSA-N 2 1 224.392 2.641 50 0 BFAAMP C[C@@H]1C[C@](CC[NH3+])(c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000001296801 386336871 /nfs/dbraw/zinc/33/68/71/386336871.db2.gz XTILSTQWLFVMKB-LZWOXQAQSA-N 2 1 246.398 2.633 50 0 BFAAMP C[N@@H+](C1CCCCC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC000242648397 387938009 /nfs/dbraw/zinc/93/80/09/387938009.db2.gz QWQBDXHRZMHGIG-AULYBMBSSA-N 2 1 210.365 2.521 50 0 BFAAMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC000222107612 170021505 /nfs/dbraw/zinc/02/15/05/170021505.db2.gz BNVNLKYMMXQHAV-HOCLYGCPSA-N 2 1 246.398 2.549 50 0 BFAAMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)[C@H](C)C1 ZINC000073653945 170021684 /nfs/dbraw/zinc/02/16/84/170021684.db2.gz NJVYAWGVQIBTKH-HIFRSBDPSA-N 2 1 232.371 2.507 50 0 BFAAMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000033936153 176278368 /nfs/dbraw/zinc/27/83/68/176278368.db2.gz KPRIEJCCTJJFOU-FMKPAKJESA-N 2 1 246.398 2.547 50 0 BFAAMP C[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000044534335 345110593 /nfs/dbraw/zinc/11/05/93/345110593.db2.gz BYNMIHNXJRUOBA-LSDHHAIUSA-N 2 1 246.398 2.722 50 0 BFAAMP Cc1[nH+]cn(C[C@H](C)[NH2+]C2CCCCC2)c1C ZINC000093368946 180287517 /nfs/dbraw/zinc/28/75/17/180287517.db2.gz UGAZQMBARHQOPY-NSHDSACASA-N 2 1 235.375 2.811 50 0 BFAAMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1cccs1 ZINC000054601943 181344347 /nfs/dbraw/zinc/34/43/47/181344347.db2.gz BJUFNPCCDQBTLY-YOGCLGLASA-N 2 1 236.384 2.592 50 0 BFAAMP CCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000065523327 169207903 /nfs/dbraw/zinc/20/79/03/169207903.db2.gz XZKXWAXILJJOFB-CYBMUJFWSA-N 2 1 233.359 2.534 50 0 BFAAMP CCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000065523327 169207904 /nfs/dbraw/zinc/20/79/04/169207904.db2.gz XZKXWAXILJJOFB-CYBMUJFWSA-N 2 1 233.359 2.534 50 0 BFAAMP C[NH+](C)CCCNc1[nH+]ccc2ccccc21 ZINC000005668160 384124638 /nfs/dbraw/zinc/12/46/38/384124638.db2.gz KIXYEAXRPOTUKN-UHFFFAOYSA-N 2 1 229.327 2.598 50 0 BFAAMP [NH3+]C[C@H](c1cccs1)N1CCCCCC1 ZINC000019201142 384513181 /nfs/dbraw/zinc/51/31/81/384513181.db2.gz HFJGSTGLKXVXAC-LLVKDONJSA-N 2 1 224.373 2.624 50 0 BFAAMP CC(C)[N@H+]1CC2(CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000169676565 385417493 /nfs/dbraw/zinc/41/74/93/385417493.db2.gz WIGXVRONOWQAGG-HNNXBMFYSA-N 2 1 244.382 2.822 50 0 BFAAMP CCCC[NH2+]C[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170622847 385434587 /nfs/dbraw/zinc/43/45/87/385434587.db2.gz UQHMEAZLQPVXPC-KGLIPLIRSA-N 2 1 224.392 2.641 50 0 BFAAMP CC1(C)CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000251180696 388746152 /nfs/dbraw/zinc/74/61/52/388746152.db2.gz QTMLNUMBLBWNSJ-IHRRRGAJSA-N 2 1 236.403 2.782 50 0 BFAAMP C[C@H](c1cccs1)[N@@H+](C)CCc1cncn1C ZINC000253429614 177048837 /nfs/dbraw/zinc/04/88/37/177048837.db2.gz NWKODQQICZYGKU-LLVKDONJSA-N 2 1 249.383 2.717 50 0 BFAAMP CC[C@@H]1CCCC[N@H+]1C1CC[NH+](CC)CC1 ZINC000004989271 635177362 /nfs/dbraw/zinc/17/73/62/635177362.db2.gz WAQNRVBFGZYQAE-CYBMUJFWSA-N 2 1 224.392 2.735 50 0 BFAAMP CC[C@@H]1CCCC[N@@H+]1C1CC[NH+](CC)CC1 ZINC000004989271 635177359 /nfs/dbraw/zinc/17/73/59/635177359.db2.gz WAQNRVBFGZYQAE-CYBMUJFWSA-N 2 1 224.392 2.735 50 0 BFAAMP CC[C@@H]1C=CC[N@H+]1C1CCC2(CC[NH2+]CC2)CC1 ZINC000952968463 644446274 /nfs/dbraw/zinc/44/62/74/644446274.db2.gz GZHDUEWHPABEOV-CQSZACIVSA-N 2 1 248.414 2.949 50 0 BFAAMP CCc1[nH+]ccn1CCC[NH2+]Cc1ccsc1 ZINC001506399830 988774491 /nfs/dbraw/zinc/77/44/91/988774491.db2.gz JQSPISAQPARXGZ-UHFFFAOYSA-N 2 1 249.383 2.687 50 0 BFAAMP CC[NH+]1CCC([NH2+]C2CCCCCC2)CC1 ZINC000000280459 342682045 /nfs/dbraw/zinc/68/20/45/342682045.db2.gz SWTYIQINAYQCPN-UHFFFAOYSA-N 2 1 224.392 2.783 50 0 BFAAMP CC[NH+]1CCC([NH2+][C@H](C)c2ccccc2)CC1 ZINC000000802057 342693099 /nfs/dbraw/zinc/69/30/99/342693099.db2.gz FCHIXBOAKWKZHI-CYBMUJFWSA-N 2 1 232.371 2.822 50 0 BFAAMP C[NH+]1CCC([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000004022704 342741054 /nfs/dbraw/zinc/74/10/54/342741054.db2.gz MGESHONGICXGSQ-ZFWWWQNUSA-N 2 1 236.403 2.735 50 0 BFAAMP C[NH+]1CCC([N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000004022704 342741056 /nfs/dbraw/zinc/74/10/56/342741056.db2.gz MGESHONGICXGSQ-ZFWWWQNUSA-N 2 1 236.403 2.735 50 0 BFAAMP C[N@@H+](CC[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000020180448 342974608 /nfs/dbraw/zinc/97/46/08/342974608.db2.gz BPRVCAZGIWLXRM-OAHLLOKOSA-N 2 1 232.371 2.651 50 0 BFAAMP CC[C@H]1CCCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000020180480 342974836 /nfs/dbraw/zinc/97/48/36/342974836.db2.gz JPRFWBGCRQMGHE-KBPBESRZSA-N 2 1 224.392 2.783 50 0 BFAAMP CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCCC[NH2+]1 ZINC000020180478 342974909 /nfs/dbraw/zinc/97/49/09/342974909.db2.gz JPRFWBGCRQMGHE-UONOGXRCSA-N 2 1 224.392 2.783 50 0 BFAAMP CC[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000042783371 343453152 /nfs/dbraw/zinc/45/31/52/343453152.db2.gz GNOWGXOXOZXNID-UONOGXRCSA-N 2 1 224.392 2.641 50 0 BFAAMP CC1(C)CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089919260 344263300 /nfs/dbraw/zinc/26/33/00/344263300.db2.gz QTMLNUMBLBWNSJ-MCIONIFRSA-N 2 1 236.403 2.782 50 0 BFAAMP [NH3+]Cc1cccc2c1C[N@@H+](Cc1ccccc1)C2 ZINC000030678442 188110492 /nfs/dbraw/zinc/11/04/92/188110492.db2.gz UXAZXMXGESTEHL-UHFFFAOYSA-N 2 1 238.334 2.661 50 0 BFAAMP C[C@@H]1C[C@@](CC[NH3+])(c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013655987 384368792 /nfs/dbraw/zinc/36/87/92/384368792.db2.gz XTILSTQWLFVMKB-SQWLQELKSA-N 2 1 246.398 2.633 50 0 BFAAMP C[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000101425122 384672939 /nfs/dbraw/zinc/67/29/39/384672939.db2.gz QEZHRHPXKIVCHH-WCQYABFASA-N 2 1 238.762 2.682 50 0 BFAAMP C[N@H+]1CCC[C@@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000101425122 384672946 /nfs/dbraw/zinc/67/29/46/384672946.db2.gz QEZHRHPXKIVCHH-WCQYABFASA-N 2 1 238.762 2.682 50 0 BFAAMP c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000089834885 388368575 /nfs/dbraw/zinc/36/85/75/388368575.db2.gz LDDZSDKWHKWEAK-MRXNPFEDSA-N 2 1 244.382 2.604 50 0 BFAAMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2)[C@@H](C)C1 ZINC000222074321 170020235 /nfs/dbraw/zinc/02/02/35/170020235.db2.gz NJVYAWGVQIBTKH-ZFWWWQNUSA-N 2 1 232.371 2.507 50 0 BFAAMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCCCCC1 ZINC000000276978 173054785 /nfs/dbraw/zinc/05/47/85/173054785.db2.gz BQRISDKXWFCCJB-AWEZNQCLSA-N 2 1 224.392 2.783 50 0 BFAAMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1 ZINC000033936155 177332110 /nfs/dbraw/zinc/33/21/10/177332110.db2.gz KPRIEJCCTJJFOU-IJEWVQPXSA-N 2 1 246.398 2.547 50 0 BFAAMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000249700857 521581367 /nfs/dbraw/zinc/58/13/67/521581367.db2.gz YCHOAJGUGVCVSR-GZBFAFLISA-N 2 1 238.419 2.885 50 0 BFAAMP CCc1nccn1C[C@H](C)[N@@H+](C)Cc1ccoc1 ZINC001506399729 988772784 /nfs/dbraw/zinc/77/27/84/988772784.db2.gz CSDCZPURWLCZJX-LBPRGKRZSA-N 2 1 247.342 2.559 50 0 BFAAMP