smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 37485196 537813650 /nfs/dbraw/zinc/81/36/50/537813650.db2.gz RZVLFJSSCXIIGZ-JTQLQIEISA-N 2 2 191.278 1.445 50 0 ADAALP C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 37485196 537813659 /nfs/dbraw/zinc/81/36/59/537813659.db2.gz RZVLFJSSCXIIGZ-JTQLQIEISA-N 2 2 191.278 1.445 50 0 ADAALP C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 37485195 537815277 /nfs/dbraw/zinc/81/52/77/537815277.db2.gz RZVLFJSSCXIIGZ-SNVBAGLBSA-N 2 2 191.278 1.445 50 0 ADAALP C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 37485195 537815282 /nfs/dbraw/zinc/81/52/82/537815282.db2.gz RZVLFJSSCXIIGZ-SNVBAGLBSA-N 2 2 191.278 1.445 50 0 ADAALP CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)C[NH2+]1 725268735 537928236 /nfs/dbraw/zinc/92/82/36/537928236.db2.gz JBZLNGXUMKLACU-GHMZBOCLSA-N 2 2 182.311 1.469 50 0 ADAALP CC(C)[C@H]1C[C@H]([NH+]2CCCC2)C[NH2+]1 725268738 537928947 /nfs/dbraw/zinc/92/89/47/537928947.db2.gz JBZLNGXUMKLACU-WDEREUQCSA-N 2 2 182.311 1.469 50 0 ADAALP CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)C[NH2+]1 725268736 537929369 /nfs/dbraw/zinc/92/93/69/537929369.db2.gz JBZLNGXUMKLACU-MNOVXSKESA-N 2 2 182.311 1.469 50 0 ADAALP CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)C[NH2+]1 725268737 537929810 /nfs/dbraw/zinc/92/98/10/537929810.db2.gz JBZLNGXUMKLACU-QWRGUYRKSA-N 2 2 182.311 1.469 50 0 ADAALP [NH3+][C@H]1CC[C@@H](Oc2cc[nH+]cc2)C1 86407955 573411963 /nfs/dbraw/zinc/41/19/63/573411963.db2.gz GIMCIMWQWSRDGY-WCBMZHEXSA-N 2 2 178.235 1.340 50 0 ADAALP [NH3+][C@@H]1CC[C@@H](Oc2cc[nH+]cc2)C1 86407957 573410889 /nfs/dbraw/zinc/41/08/89/573410889.db2.gz GIMCIMWQWSRDGY-PSASIEDQSA-N 2 2 178.235 1.340 50 0 ADAALP Cc1[nH]c([C@@H](C)[NH3+])c(C)[nH+]1 82410456 573649281 /nfs/dbraw/zinc/64/92/81/573649281.db2.gz DQQPBZGOUORWHJ-SCSAIBSYSA-N 2 2 139.202 1.046 50 0 ADAALP c1[nH]c2c([nH+]1)CC[C@H]1[NH2+]CCC[C@@H]21 238018664 1169417980 /nfs/dbraw/zinc/41/79/80/1169417980.db2.gz WRVHORQXXLTWRI-HTQZYQBOSA-N 2 2 177.251 1.192 50 0 ADAALP c1[nH]c2c([nH+]1)CC[C@@H]1[NH2+]CCC[C@H]21 238021724 1169418328 /nfs/dbraw/zinc/41/83/28/1169418328.db2.gz WRVHORQXXLTWRI-YUMQZZPRSA-N 2 2 177.251 1.192 50 0 ADAALP c1[nH]c2c([nH+]1)CC[C@H]1[NH2+]CCC[C@H]21 238018696 1169418633 /nfs/dbraw/zinc/41/86/33/1169418633.db2.gz WRVHORQXXLTWRI-JGVFFNPUSA-N 2 2 177.251 1.192 50 0 ADAALP c1[nH]c2c([nH+]1)CC[C@@H]1[NH2+]CCC[C@@H]21 238021695 1169419246 /nfs/dbraw/zinc/41/92/46/1169419246.db2.gz WRVHORQXXLTWRI-SFYZADRCSA-N 2 2 177.251 1.192 50 0 ADAALP c1ccc(NC2CC[NH2+]CC2)[nH+]c1 19518104 572186697 /nfs/dbraw/zinc/18/66/97/572186697.db2.gz SBSLCPHONZWKIE-UHFFFAOYSA-N 2 2 177.251 1.246 50 0 in-vitro ADAALP Cc1[nH+]cccc1CCC[NH3+] 83268143 572597748 /nfs/dbraw/zinc/59/77/48/572597748.db2.gz ZBTIXDYPGJOOLJ-UHFFFAOYSA-N 2 2 150.225 1.281 50 0 ADAALP C[C@H]([NH3+])c1c[nH+]c2n1CCCC2 107160953 573388187 /nfs/dbraw/zinc/38/81/87/573388187.db2.gz WWXMOZKAIUCAJK-ZETCQYMHSA-N 2 2 165.240 1.239 50 0 ADAALP [NH3+][C@H]1CC[C@H](Oc2cc[nH+]cc2)C1 86407956 573411785 /nfs/dbraw/zinc/41/17/85/573411785.db2.gz GIMCIMWQWSRDGY-WPRPVWTQSA-N 2 2 178.235 1.340 50 0 ADAALP [NH3+][C@@H]1CC[C@H](Oc2cc[nH+]cc2)C1 86407958 573413585 /nfs/dbraw/zinc/41/35/85/573413585.db2.gz GIMCIMWQWSRDGY-SCZZXKLOSA-N 2 2 178.235 1.340 50 0 ADAALP Cc1ccc(C[N@H+](C)CC[NH3+])s1 54416842 486756588 /nfs/dbraw/zinc/75/65/88/486756588.db2.gz NUQXVEJACVPJNJ-UHFFFAOYSA-N 2 2 184.308 1.447 50 0 ADAALP Cc1ccc(C[N@@H+](C)CC[NH3+])s1 54416842 486756592 /nfs/dbraw/zinc/75/65/92/486756592.db2.gz NUQXVEJACVPJNJ-UHFFFAOYSA-N 2 2 184.308 1.447 50 0 ADAALP CC[N@@H+](CC[NH3+])Cc1cccc(O)c1 87183453 486891869 /nfs/dbraw/zinc/89/18/69/486891869.db2.gz HDBHQRAWIBGBRW-UHFFFAOYSA-N 2 2 194.278 1.173 50 0 ADAALP CC[N@H+](CC[NH3+])Cc1cccc(O)c1 87183453 486891863 /nfs/dbraw/zinc/89/18/63/486891863.db2.gz HDBHQRAWIBGBRW-UHFFFAOYSA-N 2 2 194.278 1.173 50 0 ADAALP CC(C)[NH2+]C[C@@H]([NH3+])c1ccccc1 40407387 490014150 /nfs/dbraw/zinc/01/41/50/490014150.db2.gz KPLOCVWYJHHTAZ-LLVKDONJSA-N 2 2 178.279 1.684 50 0 ADAALP CC(C)[NH2+]C[C@H]([NH3+])c1ccccc1 40407384 490014299 /nfs/dbraw/zinc/01/42/99/490014299.db2.gz KPLOCVWYJHHTAZ-NSHDSACASA-N 2 2 178.279 1.684 50 0 ADAALP Nc1ccc(-c2cccc(C[NH3+])c2)c[nH+]1 82730000 1188777081 /nfs/dbraw/zinc/77/70/81/1188777081.db2.gz MMDSKVNFNGCZMY-UHFFFAOYSA-N 2 2 199.257 1.790 50 0 ADAALP [NH3+]C1CCN(c2cccc[nH+]2)CC1 12359866 132182631 /nfs/dbraw/zinc/18/26/31/132182631.db2.gz CZINLSYKXBADTA-UHFFFAOYSA-N 2 2 177.251 1.009 50 0 ADAALP C[NH2+]C1CCN(c2cccc[nH+]2)CC1 37509561 132188814 /nfs/dbraw/zinc/18/88/14/132188814.db2.gz QHIXWPOEUOJBOF-UHFFFAOYSA-N 2 2 191.278 1.270 50 0 in-vitro ADAALP [NH3+]C[C@H]1CCCN(c2cccc[nH+]2)C1 39570915 132190137 /nfs/dbraw/zinc/19/01/37/132190137.db2.gz MJGYATLGOQZTND-SNVBAGLBSA-N 2 2 191.278 1.257 50 0 ADAALP [NH3+]C[C@@H]1CCCN(c2cccc[nH+]2)C1 39570916 132190232 /nfs/dbraw/zinc/19/02/32/132190232.db2.gz MJGYATLGOQZTND-JTQLQIEISA-N 2 2 191.278 1.257 50 0 ADAALP [NH3+]CC1CCN(c2cccc[nH+]2)CC1 44514616 132191554 /nfs/dbraw/zinc/19/15/54/132191554.db2.gz ADULVLOFPKPAHD-UHFFFAOYSA-N 2 2 191.278 1.257 50 0 in-vitro ADAALP C[NH+]1CCC([NH2+]Cc2ccco2)CC1 268581 342932440 /nfs/dbraw/zinc/93/24/40/342932440.db2.gz ZJRROMOOCRNAPK-UHFFFAOYSA-N 2 2 194.278 1.463 50 0 ADAALP Cc1ccc2[nH+]c(CC[NH3+])cn2c1 11569902 343022648 /nfs/dbraw/zinc/02/26/48/343022648.db2.gz RJELLHWBXUSVQP-UHFFFAOYSA-N 2 2 175.235 1.144 50 0 ADAALP Cc1cccc2[nH+]c(CC[NH3+])cn12 11569903 343022660 /nfs/dbraw/zinc/02/26/60/343022660.db2.gz RXSHUDFEFPHFRT-UHFFFAOYSA-N 2 2 175.235 1.144 50 0 in-vitro ADAALP Cc1cccn2c(C[NH3+])c[nH+]c12 19091590 343050145 /nfs/dbraw/zinc/05/01/45/343050145.db2.gz PSDUDKHRMOLAJK-UHFFFAOYSA-N 2 2 161.208 1.101 50 0 in-vitro ADAALP Cc1cccc2[nH+]c(CC[NH3+])[nH]c12 19093444 343051062 /nfs/dbraw/zinc/05/10/62/343051062.db2.gz PTJNQXFUKMHXQI-UHFFFAOYSA-N 2 2 175.235 1.373 50 0 in-vitro ADAALP C[NH+](C)[C@H](C[NH3+])c1ccc(Cl)cc1 19255451 343051928 /nfs/dbraw/zinc/05/19/28/343051928.db2.gz MIDAWEXSYYTARE-SNVBAGLBSA-N 2 2 198.697 1.901 50 0 in-vitro ADAALP C[NH+](C)[C@@H](C[NH3+])c1ccc(Cl)cc1 19255449 343051974 /nfs/dbraw/zinc/05/19/74/343051974.db2.gz MIDAWEXSYYTARE-JTQLQIEISA-N 2 2 198.697 1.901 50 0 in-vitro ADAALP Cc1cccc2[nH]c(CCC[NH3+])[nH+]c12 19737049 343059818 /nfs/dbraw/zinc/05/98/18/343059818.db2.gz PIKFDVSAENEGKS-UHFFFAOYSA-N 2 2 189.262 1.763 50 0 ADAALP CC(C)[NH2+]CC[N@@H+]1CCCC[C@@H]1C 19737135 343060026 /nfs/dbraw/zinc/06/00/26/343060026.db2.gz OBBQYZWMTSSZBI-NSHDSACASA-N 2 2 184.327 1.859 50 0 ADAALP CC(C)[NH2+]CC[N@H+]1CCCC[C@@H]1C 19737135 343060027 /nfs/dbraw/zinc/06/00/27/343060027.db2.gz OBBQYZWMTSSZBI-NSHDSACASA-N 2 2 184.327 1.859 50 0 ADAALP C[C@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 19794318 343060468 /nfs/dbraw/zinc/06/04/68/343060468.db2.gz UJWSUHSIWKEFHM-SNVBAGLBSA-N 2 2 190.290 1.392 50 0 in-vitro ADAALP C[C@H](C[NH3+])[N@H+]1CCc2ccccc2C1 19794318 343060469 /nfs/dbraw/zinc/06/04/69/343060469.db2.gz UJWSUHSIWKEFHM-SNVBAGLBSA-N 2 2 190.290 1.392 50 0 in-vitro ADAALP CC1CCC([NH2+]CC[NH+](C)C)CC1 21954302 343076288 /nfs/dbraw/zinc/07/62/88/343076288.db2.gz XWMYGYVKXQZREI-UHFFFAOYSA-N 2 2 184.327 1.716 50 0 ADAALP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 22063342 343077937 /nfs/dbraw/zinc/07/79/37/343077937.db2.gz SFEGZLNDKUGHQJ-JQWIXIFHSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1 22063342 343077938 /nfs/dbraw/zinc/07/79/38/343077938.db2.gz SFEGZLNDKUGHQJ-JQWIXIFHSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1 22063348 343078455 /nfs/dbraw/zinc/07/84/55/343078455.db2.gz SFEGZLNDKUGHQJ-CMPLNLGQSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1 22063348 343078456 /nfs/dbraw/zinc/07/84/56/343078456.db2.gz SFEGZLNDKUGHQJ-CMPLNLGQSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP Cc1ccsc1[C@@H](C[NH3+])[NH+](C)C 23094156 343083433 /nfs/dbraw/zinc/08/34/33/343083433.db2.gz XSHCJTMLKPDFJK-MRVPVSSYSA-N 2 2 184.308 1.618 50 0 in-vitro ADAALP C[N@@H+](CC[NH3+])CCc1ccccc1 23093796 343083649 /nfs/dbraw/zinc/08/36/49/343083649.db2.gz QNEUMPZMEXPLOM-UHFFFAOYSA-N 2 2 178.279 1.120 50 0 in-vitro ADAALP C[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C1 34376321 343117657 /nfs/dbraw/zinc/11/76/57/343117657.db2.gz YYCPQEKHXOHJNG-GFCCVEGCSA-N 2 2 190.290 1.480 50 0 in-vitro ADAALP Cc1[nH]c2ccc(CC[NH3+])cc2[nH+]1 36197688 343141713 /nfs/dbraw/zinc/14/17/13/343141713.db2.gz AHEACQPUGPABGN-UHFFFAOYSA-N 2 2 175.235 1.373 50 0 ADAALP Cc1[nH]c2cc(CC[NH3+])ccc2[nH+]1 36197688 343141714 /nfs/dbraw/zinc/14/17/14/343141714.db2.gz AHEACQPUGPABGN-UHFFFAOYSA-N 2 2 175.235 1.373 50 0 ADAALP C[C@H]([NH3+])Cc1cn2ccccc2[nH+]1 36243935 343142933 /nfs/dbraw/zinc/14/29/33/343142933.db2.gz WZCUWZAVDFVCTE-QMMMGPOBSA-N 2 2 175.235 1.224 50 0 ADAALP Cc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1 37241593 343163821 /nfs/dbraw/zinc/16/38/21/343163821.db2.gz INUIZQJUGAJHBH-GFCCVEGCSA-N 2 2 190.290 1.528 50 0 in-vitro ADAALP Cc1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1 37241593 343163822 /nfs/dbraw/zinc/16/38/22/343163822.db2.gz INUIZQJUGAJHBH-GFCCVEGCSA-N 2 2 190.290 1.528 50 0 in-vitro ADAALP Cc1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1 37241590 343163845 /nfs/dbraw/zinc/16/38/45/343163845.db2.gz INUIZQJUGAJHBH-LBPRGKRZSA-N 2 2 190.290 1.528 50 0 in-vitro ADAALP Cc1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1 37241590 343163846 /nfs/dbraw/zinc/16/38/46/343163846.db2.gz INUIZQJUGAJHBH-LBPRGKRZSA-N 2 2 190.290 1.528 50 0 in-vitro ADAALP Cc1cccc(C[N@@H+]2CC[C@@H]([NH3+])C2)c1 38538815 343188858 /nfs/dbraw/zinc/18/88/58/343188858.db2.gz BEHYEDRAAKQLCM-GFCCVEGCSA-N 2 2 190.290 1.528 50 0 ADAALP CC[C@@H]([NH3+])C[N@H+](C)Cc1ccccc1 38801459 343190659 /nfs/dbraw/zinc/19/06/59/343190659.db2.gz ULRQBWNNCPAUFZ-GFCCVEGCSA-N 2 2 192.306 1.856 50 0 ADAALP CC[C@@H]([NH3+])C[N@@H+](C)Cc1ccccc1 38801459 343190660 /nfs/dbraw/zinc/19/06/60/343190660.db2.gz ULRQBWNNCPAUFZ-GFCCVEGCSA-N 2 2 192.306 1.856 50 0 ADAALP CC[C@H]([NH3+])C[N@H+](C)Cc1ccccc1 38801456 343190552 /nfs/dbraw/zinc/19/05/52/343190552.db2.gz ULRQBWNNCPAUFZ-LBPRGKRZSA-N 2 2 192.306 1.856 50 0 ADAALP CC[C@H]([NH3+])C[N@@H+](C)Cc1ccccc1 38801456 343190554 /nfs/dbraw/zinc/19/05/54/343190554.db2.gz ULRQBWNNCPAUFZ-LBPRGKRZSA-N 2 2 192.306 1.856 50 0 ADAALP C[C@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 39958225 343214718 /nfs/dbraw/zinc/21/47/18/343214718.db2.gz UNXLSDHBHSJGNF-VIFPVBQESA-N 2 2 170.300 1.456 50 0 ADAALP C[C@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 39958225 343214719 /nfs/dbraw/zinc/21/47/19/343214719.db2.gz UNXLSDHBHSJGNF-VIFPVBQESA-N 2 2 170.300 1.456 50 0 ADAALP Cc1c[nH+]ccc1C[C@@H](C)[NH3+] 44460923 343265772 /nfs/dbraw/zinc/26/57/72/343265772.db2.gz LWSKKOKDDSWJIS-MRVPVSSYSA-N 2 2 150.225 1.280 50 0 ADAALP Cc1c[nH+]ccc1C[C@H](C)[NH3+] 44460924 343265791 /nfs/dbraw/zinc/26/57/91/343265791.db2.gz LWSKKOKDDSWJIS-QMMMGPOBSA-N 2 2 150.225 1.280 50 0 ADAALP CC(C)c1[nH+]ccn1[C@H]1CCC[NH2+]C1 90225639 343675133 /nfs/dbraw/zinc/67/51/33/343675133.db2.gz FCKKINSVCUYPGP-JTQLQIEISA-N 2 2 193.294 1.931 50 0 in-vitro ADAALP CC(C)c1[nH+]ccn1[C@@H]1CCC[NH2+]C1 90225638 343675138 /nfs/dbraw/zinc/67/51/38/343675138.db2.gz FCKKINSVCUYPGP-SNVBAGLBSA-N 2 2 193.294 1.931 50 0 in-vitro ADAALP C1CC(C[N@@H+]2CCC[NH2+]CC2)C1 49660604 166083478 /nfs/dbraw/zinc/08/34/78/166083478.db2.gz NTYQWWCWQFLXPD-UHFFFAOYSA-N 2 2 168.284 1.082 50 0 ADAALP C1CC(C[N@H+]2CCC[NH2+]CC2)C1 49660604 166083479 /nfs/dbraw/zinc/08/34/79/166083479.db2.gz NTYQWWCWQFLXPD-UHFFFAOYSA-N 2 2 168.284 1.082 50 0 ADAALP C1CCC([N@@H+]2CCC[NH2+]CC2)CC1 32445479 166087019 /nfs/dbraw/zinc/08/70/19/166087019.db2.gz YZRJEERFPFFTLP-UHFFFAOYSA-N 2 2 182.311 1.614 50 0 in-vitro ADAALP C1CCC([N@H+]2CCC[NH2+]CC2)CC1 32445479 166087020 /nfs/dbraw/zinc/08/70/20/166087020.db2.gz YZRJEERFPFFTLP-UHFFFAOYSA-N 2 2 182.311 1.614 50 0 in-vitro ADAALP C1CCC([N@@H+]2CCC[NH2+]CC2)C1 23093606 166087151 /nfs/dbraw/zinc/08/71/51/166087151.db2.gz DPTJLUGTAUOTFU-UHFFFAOYSA-N 2 2 168.284 1.224 50 0 in-vitro ADAALP C1CCC([N@H+]2CCC[NH2+]CC2)C1 23093606 166087153 /nfs/dbraw/zinc/08/71/53/166087153.db2.gz DPTJLUGTAUOTFU-UHFFFAOYSA-N 2 2 168.284 1.224 50 0 in-vitro ADAALP C1CCC(C[N@@H+]2CCC[NH2+]CC2)CC1 19485665 166087344 /nfs/dbraw/zinc/08/73/44/166087344.db2.gz MBOYHABMLRNQHS-UHFFFAOYSA-N 2 2 196.338 1.862 50 0 ADAALP C1CCC(C[N@H+]2CCC[NH2+]CC2)CC1 19485665 166087347 /nfs/dbraw/zinc/08/73/47/166087347.db2.gz MBOYHABMLRNQHS-UHFFFAOYSA-N 2 2 196.338 1.862 50 0 ADAALP C1CCC[NH+]([C@@H]2CCC[NH2+]C2)CC1 37246851 166088851 /nfs/dbraw/zinc/08/88/51/166088851.db2.gz AHEPPPZEXARNCA-LLVKDONJSA-N 2 2 182.311 1.614 50 0 ADAALP C1CCC[NH+](C[C@@H]2CCC[NH2+]2)CC1 39141032 166089101 /nfs/dbraw/zinc/08/91/01/166089101.db2.gz GVAJTFQLOLODFH-NSHDSACASA-N 2 2 182.311 1.614 50 0 in-vitro ADAALP C1CCC[NH+](CC[NH2+]CC2CC2)CC1 37478488 166089874 /nfs/dbraw/zinc/08/98/74/166089874.db2.gz XYRRTGIJWDFMHY-UHFFFAOYSA-N 2 2 196.338 1.862 50 0 ADAALP C1CCC[NH+](C[C@H]2CCC[NH2+]2)CC1 39141035 166090176 /nfs/dbraw/zinc/09/01/76/166090176.db2.gz GVAJTFQLOLODFH-LLVKDONJSA-N 2 2 182.311 1.614 50 0 in-vitro ADAALP C1CCC[NH+]([C@H]2CCC[NH2+]C2)CC1 37246854 166092331 /nfs/dbraw/zinc/09/23/31/166092331.db2.gz AHEPPPZEXARNCA-NSHDSACASA-N 2 2 182.311 1.614 50 0 ADAALP C1CC[C@@H]2[NH2+]CCC[N@H+]2CC1 19320247 166093522 /nfs/dbraw/zinc/09/35/22/166093522.db2.gz RWENYVRYDPMMRO-SECBINFHSA-N 2 2 154.257 1.182 50 0 ADAALP C1CC[C@@H]2[NH2+]CCC[N@@H+]2CC1 19320247 166093525 /nfs/dbraw/zinc/09/35/25/166093525.db2.gz RWENYVRYDPMMRO-SECBINFHSA-N 2 2 154.257 1.182 50 0 ADAALP C1CC[C@H]2[NH2+]CCC[N@H+]2CC1 19320245 166094473 /nfs/dbraw/zinc/09/44/73/166094473.db2.gz RWENYVRYDPMMRO-VIFPVBQESA-N 2 2 154.257 1.182 50 0 ADAALP C1CC[C@H]2[NH2+]CCC[N@@H+]2CC1 19320245 166094476 /nfs/dbraw/zinc/09/44/76/166094476.db2.gz RWENYVRYDPMMRO-VIFPVBQESA-N 2 2 154.257 1.182 50 0 ADAALP C=Cc1ccc(C[NH2+]CC[NH2+]C)cc1 71773493 166223185 /nfs/dbraw/zinc/22/31/85/166223185.db2.gz CBCWMRSMUMTGAX-UHFFFAOYSA-N 2 2 190.290 1.639 50 0 ADAALP CC(C)(C)C1=CC[N@H+](CC[NH3+])CC1 95883868 166347804 /nfs/dbraw/zinc/34/78/04/166347804.db2.gz RNGUSROHDADMOW-UHFFFAOYSA-N 2 2 182.311 1.623 50 0 ADAALP CC(C)(C)C1=CC[N@@H+](CC[NH3+])CC1 95883868 166347806 /nfs/dbraw/zinc/34/78/06/166347806.db2.gz RNGUSROHDADMOW-UHFFFAOYSA-N 2 2 182.311 1.623 50 0 ADAALP CC(C)(C)C[NH2+]Cc1c[nH+]c[nH]1 54765151 166353224 /nfs/dbraw/zinc/35/32/24/166353224.db2.gz USODBAPCNBXPQP-UHFFFAOYSA-N 2 2 167.256 1.545 50 0 ADAALP CC(C)(C)[N@@H+]1CCC[NH2+]CC1 39947591 166360611 /nfs/dbraw/zinc/36/06/11/166360611.db2.gz NFTNAOZWHAOMPK-UHFFFAOYSA-N 2 2 156.273 1.080 50 0 in-vitro ADAALP CC(C)(C)[N@H+]1CCC[NH2+]CC1 39947591 166360614 /nfs/dbraw/zinc/36/06/14/166360614.db2.gz NFTNAOZWHAOMPK-UHFFFAOYSA-N 2 2 156.273 1.080 50 0 in-vitro ADAALP CC(C)(C)[N@H+](CC[NH3+])Cc1ccco1 45796278 166360900 /nfs/dbraw/zinc/36/09/00/166360900.db2.gz JLXGLKKSXIDITH-UHFFFAOYSA-N 2 2 196.294 1.839 50 0 ADAALP CC(C)(C)[N@@H+](CC[NH3+])Cc1ccco1 45796278 166360903 /nfs/dbraw/zinc/36/09/03/166360903.db2.gz JLXGLKKSXIDITH-UHFFFAOYSA-N 2 2 196.294 1.839 50 0 ADAALP CC(C)(C)[C@H]([NH3+])Cn1cc[nH+]c1 111472 166378423 /nfs/dbraw/zinc/37/84/23/166378423.db2.gz LBMYOBPKNFXLIA-MRVPVSSYSA-N 2 2 167.256 1.257 50 0 in-vitro ADAALP CC(C)(C)[C@H]1C[N@@H+]2CCC[C@@H]2C[NH2+]1 72233257 166380836 /nfs/dbraw/zinc/38/08/36/166380836.db2.gz ZOFVPYVMEVJPGS-NXEZZACHSA-N 2 2 182.311 1.469 50 0 ADAALP CC(C)(C)[C@H]1C[N@H+]2CCC[C@@H]2C[NH2+]1 72233257 166380839 /nfs/dbraw/zinc/38/08/39/166380839.db2.gz ZOFVPYVMEVJPGS-NXEZZACHSA-N 2 2 182.311 1.469 50 0 ADAALP CC(C)(C)[C@H]1C[N@@H+]2CCC[C@H]2C[NH2+]1 72233258 166381952 /nfs/dbraw/zinc/38/19/52/166381952.db2.gz ZOFVPYVMEVJPGS-VHSXEESVSA-N 2 2 182.311 1.469 50 0 ADAALP CC(C)(C)[C@H]1C[N@H+]2CCC[C@H]2C[NH2+]1 72233258 166381953 /nfs/dbraw/zinc/38/19/53/166381953.db2.gz ZOFVPYVMEVJPGS-VHSXEESVSA-N 2 2 182.311 1.469 50 0 ADAALP CCC[C@H]1C[N@@H+]2CCC[C@H]2C[NH2+]1 66346804 167090874 /nfs/dbraw/zinc/09/08/74/167090874.db2.gz AEMSRNHLEUPYQI-UWVGGRQHSA-N 2 2 168.284 1.223 50 0 ADAALP CCC[C@H]1C[N@H+]2CCC[C@H]2C[NH2+]1 66346804 167090875 /nfs/dbraw/zinc/09/08/75/167090875.db2.gz AEMSRNHLEUPYQI-UWVGGRQHSA-N 2 2 168.284 1.223 50 0 ADAALP CC[NH+](CC)CC[NH2+]C1CCCC1 19919186 167165561 /nfs/dbraw/zinc/16/55/61/167165561.db2.gz BXRNTIDUSLVLPU-UHFFFAOYSA-N 2 2 184.327 1.860 50 0 ADAALP CC[NH+](CC)CC[NH2+]C(C)C 95348467 167166183 /nfs/dbraw/zinc/16/61/83/167166183.db2.gz SRYCFYOMSLPFBO-UHFFFAOYSA-N 2 2 158.289 1.326 50 0 ADAALP CC[NH+](CC)CC[NH2+]CC(C)C 95188436 167166705 /nfs/dbraw/zinc/16/67/05/167166705.db2.gz YLJRIMQQJHWOEO-UHFFFAOYSA-N 2 2 172.316 1.574 50 0 in-vitro ADAALP CC[NH+](CC)Cc1csc(C[NH3+])n1 32009817 167169529 /nfs/dbraw/zinc/16/95/29/167169529.db2.gz XPVCMQHQCIJLMF-UHFFFAOYSA-N 2 2 199.323 1.444 50 0 ADAALP CC[NH+](CC)[C@H](C[NH3+])c1ccco1 19735624 167172226 /nfs/dbraw/zinc/17/22/26/167172226.db2.gz XIBTZZUXZNNSTP-SECBINFHSA-N 2 2 182.267 1.621 50 0 in-vitro ADAALP CC[NH+](CC)[C@H]1CCCC[C@@H]1[NH3+] 22028998 167172331 /nfs/dbraw/zinc/17/23/31/167172331.db2.gz VTVCXLUDVDCEBU-UWVGGRQHSA-N 2 2 170.300 1.598 50 0 ADAALP CC[NH+](CC)[C@@H]1CCCC[C@@H]1[NH3+] 19391355 167173942 /nfs/dbraw/zinc/17/39/42/167173942.db2.gz VTVCXLUDVDCEBU-VHSXEESVSA-N 2 2 170.300 1.598 50 0 ADAALP CC[NH+](CC)[C@@H]1CCCC[C@H]1[NH3+] 19391359 167174169 /nfs/dbraw/zinc/17/41/69/167174169.db2.gz VTVCXLUDVDCEBU-NXEZZACHSA-N 2 2 170.300 1.598 50 0 ADAALP CC[NH+](CC)[C@H]1CCCC[C@H]1[NH3+] 19391362 167174405 /nfs/dbraw/zinc/17/44/05/167174405.db2.gz VTVCXLUDVDCEBU-ZJUUUORDSA-N 2 2 170.300 1.598 50 0 ADAALP CC[N@H+](CC[NH3+])Cc1ccccc1 39185304 167184462 /nfs/dbraw/zinc/18/44/62/167184462.db2.gz CMMJQXIVCKIUMN-UHFFFAOYSA-N 2 2 178.279 1.467 50 0 ADAALP CC[N@@H+](CC[NH3+])Cc1ccccc1 39185304 167184464 /nfs/dbraw/zinc/18/44/64/167184464.db2.gz CMMJQXIVCKIUMN-UHFFFAOYSA-N 2 2 178.279 1.467 50 0 ADAALP CC[N@@H+]1CCC[NH2+]C(C)(C)C1 62566368 167201645 /nfs/dbraw/zinc/20/16/45/167201645.db2.gz WWAZNWZVLQMHAI-UHFFFAOYSA-N 2 2 156.273 1.080 50 0 ADAALP CC[N@H+]1CCC[NH2+]C(C)(C)C1 62566368 167201650 /nfs/dbraw/zinc/20/16/50/167201650.db2.gz WWAZNWZVLQMHAI-UHFFFAOYSA-N 2 2 156.273 1.080 50 0 ADAALP CC[N@@H+]1CCC[NH2+]C[C@H]1C(C)C 34928977 167201709 /nfs/dbraw/zinc/20/17/09/167201709.db2.gz PXRLGJYMPDOVAR-JTQLQIEISA-N 2 2 170.300 1.326 50 0 ADAALP CC[N@H+]1CCC[NH2+]C[C@H]1C(C)C 34928977 167201712 /nfs/dbraw/zinc/20/17/12/167201712.db2.gz PXRLGJYMPDOVAR-JTQLQIEISA-N 2 2 170.300 1.326 50 0 ADAALP CC[N@@H+]1CCC[NH2+]CC1(C)C 62566357 167203325 /nfs/dbraw/zinc/20/33/25/167203325.db2.gz PGCIKDPIKHORSK-UHFFFAOYSA-N 2 2 156.273 1.080 50 0 ADAALP CC[N@H+]1CCC[NH2+]CC1(C)C 62566357 167203328 /nfs/dbraw/zinc/20/33/28/167203328.db2.gz PGCIKDPIKHORSK-UHFFFAOYSA-N 2 2 156.273 1.080 50 0 ADAALP CC[N@@H+]1CCC[NH2+]C[C@@H]1C(C)C 34928975 167204493 /nfs/dbraw/zinc/20/44/93/167204493.db2.gz PXRLGJYMPDOVAR-SNVBAGLBSA-N 2 2 170.300 1.326 50 0 ADAALP CC[N@H+]1CCC[NH2+]C[C@@H]1C(C)C 34928975 167204494 /nfs/dbraw/zinc/20/44/94/167204494.db2.gz PXRLGJYMPDOVAR-SNVBAGLBSA-N 2 2 170.300 1.326 50 0 ADAALP CC[NH2+]CCC[NH2+]Cc1ccco1 13735202 167260880 /nfs/dbraw/zinc/26/08/80/167260880.db2.gz HIVXAYKDDRGBCT-UHFFFAOYSA-N 2 2 182.267 1.369 50 0 ADAALP CC[NH2+]CC[NH+]1CCCCC1 95346838 167266008 /nfs/dbraw/zinc/26/60/08/167266008.db2.gz XUHUOUMBXWRQQH-UHFFFAOYSA-N 2 2 156.273 1.082 50 0 in-vitro ADAALP CC[NH2+]CC[NH2+]Cc1ccccc1 44651726 167266624 /nfs/dbraw/zinc/26/66/24/167266624.db2.gz CFSAIDDTIORUEW-UHFFFAOYSA-N 2 2 178.279 1.386 50 0 ADAALP CC[NH2+]CC[NH+]1CCC(C)CC1 32445501 167267110 /nfs/dbraw/zinc/26/71/10/167267110.db2.gz BEXZRZRCZHVZFM-UHFFFAOYSA-N 2 2 170.300 1.328 50 0 in-vitro ADAALP CC[NH2+]C[C@@H]([NH3+])c1ccccc1 40409275 167269697 /nfs/dbraw/zinc/26/96/97/167269697.db2.gz BXEFXICITKYXKB-SNVBAGLBSA-N 2 2 164.252 1.296 50 0 in-vitro ADAALP CC[NH2+]C[C@H]([NH3+])c1ccccc1 40409271 167271439 /nfs/dbraw/zinc/27/14/39/167271439.db2.gz BXEFXICITKYXKB-JTQLQIEISA-N 2 2 164.252 1.296 50 0 in-vitro ADAALP CC[NH2+][C@@H](Cn1cc[nH+]c1)C(C)(C)C 37156762 167286472 /nfs/dbraw/zinc/28/64/72/167286472.db2.gz DYFWERVJCLLPNQ-JTQLQIEISA-N 2 2 195.310 1.907 50 0 in-vitro ADAALP CC[NH2+][C@H](Cn1cc[nH+]c1)C(C)(C)C 37156764 167302536 /nfs/dbraw/zinc/30/25/36/167302536.db2.gz DYFWERVJCLLPNQ-SNVBAGLBSA-N 2 2 195.310 1.907 50 0 in-vitro ADAALP C[NH+](C)CCC[NH2+]Cc1ccco1 2518429 167835620 /nfs/dbraw/zinc/83/56/20/167835620.db2.gz KOVNXYDPPORAOF-UHFFFAOYSA-N 2 2 182.267 1.321 50 0 ADAALP C[NH+](C)CC[NH2+]CCc1ccccc1 20477641 167836694 /nfs/dbraw/zinc/83/66/94/167836694.db2.gz WEJBWYZFAIDFQM-UHFFFAOYSA-N 2 2 192.306 1.380 50 0 in-vitro ADAALP C[NH+](C)CCNc1ccccc1C[NH3+] 53255564 167837319 /nfs/dbraw/zinc/83/73/19/167837319.db2.gz FAAFSTPBEGVXDF-UHFFFAOYSA-N 2 2 193.294 1.119 50 0 in-vitro ADAALP C[NH2+]CCC[N@H+](C)Cc1ccco1 42409547 167991898 /nfs/dbraw/zinc/99/18/98/167991898.db2.gz CSYVZQBVJXBCQN-UHFFFAOYSA-N 2 2 182.267 1.321 50 0 in-vitro ADAALP C[NH2+]CCC[N@@H+](C)Cc1ccco1 42409547 167991899 /nfs/dbraw/zinc/99/18/99/167991899.db2.gz CSYVZQBVJXBCQN-UHFFFAOYSA-N 2 2 182.267 1.321 50 0 in-vitro ADAALP C[NH2+]CCc1[nH]c2c(C)cccc2[nH+]1 15635475 168001214 /nfs/dbraw/zinc/00/12/14/168001214.db2.gz LFARBAVQYFZEMY-UHFFFAOYSA-N 2 2 189.262 1.633 50 0 ADAALP C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 4262692 168019155 /nfs/dbraw/zinc/01/91/55/168019155.db2.gz VZIBQMZVUZDSFA-UHFFFAOYSA-N 2 2 187.246 1.592 50 0 in-vitro ADAALP C[NH2+]Cc1ccn2cc[nH+]c2c1 44831937 168019506 /nfs/dbraw/zinc/01/95/06/168019506.db2.gz SYZSIBHQDDIGIZ-UHFFFAOYSA-N 2 2 161.208 1.054 50 0 ADAALP C[NH2+][C@@H](C[NH3+])c1ccccc1Cl 34139759 168036890 /nfs/dbraw/zinc/03/68/90/168036890.db2.gz OMMHSSFZVPGELQ-VIFPVBQESA-N 2 2 184.670 1.559 50 0 ADAALP C[NH2+][C@@H](C[NH3+])c1ccc(F)cc1 50269848 168037006 /nfs/dbraw/zinc/03/70/06/168037006.db2.gz GSNWKFMRWMKZKJ-VIFPVBQESA-N 2 2 168.215 1.045 50 0 in-vitro ADAALP C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C1 22009716 168043002 /nfs/dbraw/zinc/04/30/02/168043002.db2.gz UEAYAIWNQQWSBK-GFCCVEGCSA-N 2 2 190.290 1.480 50 0 in-vitro ADAALP C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 22009716 168043003 /nfs/dbraw/zinc/04/30/03/168043003.db2.gz UEAYAIWNQQWSBK-GFCCVEGCSA-N 2 2 190.290 1.480 50 0 in-vitro ADAALP C[NH2+][C@H](C[NH3+])c1ccc(F)cc1 50269849 168053455 /nfs/dbraw/zinc/05/34/55/168053455.db2.gz GSNWKFMRWMKZKJ-SECBINFHSA-N 2 2 168.215 1.045 50 0 in-vitro ADAALP C[NH2+][C@H](C[NH3+])c1ccccc1Cl 34139760 168054492 /nfs/dbraw/zinc/05/44/92/168054492.db2.gz OMMHSSFZVPGELQ-SECBINFHSA-N 2 2 184.670 1.559 50 0 ADAALP C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C1 22009721 168059504 /nfs/dbraw/zinc/05/95/04/168059504.db2.gz UEAYAIWNQQWSBK-LBPRGKRZSA-N 2 2 190.290 1.480 50 0 in-vitro ADAALP C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C1 22009721 168059506 /nfs/dbraw/zinc/05/95/06/168059506.db2.gz UEAYAIWNQQWSBK-LBPRGKRZSA-N 2 2 190.290 1.480 50 0 in-vitro ADAALP COc1ccc(C[N@H+](C)CC[NH3+])cc1 96319873 168250049 /nfs/dbraw/zinc/25/00/49/168250049.db2.gz PSUOGTOBVPQWMK-UHFFFAOYSA-N 2 2 194.278 1.086 50 0 ADAALP COc1ccc(C[N@@H+](C)CC[NH3+])cc1 96319873 168250051 /nfs/dbraw/zinc/25/00/51/168250051.db2.gz PSUOGTOBVPQWMK-UHFFFAOYSA-N 2 2 194.278 1.086 50 0 ADAALP COc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1 19362035 168257822 /nfs/dbraw/zinc/25/78/22/168257822.db2.gz DIFDGMFDUHMXCH-LLVKDONJSA-N 2 2 194.278 1.257 50 0 in-vitro ADAALP COc1ccc([C@H](C[NH3+])[NH+](C)C)cc1 88604453 168259806 /nfs/dbraw/zinc/25/98/06/168259806.db2.gz DIFDGMFDUHMXCH-NSHDSACASA-N 2 2 194.278 1.257 50 0 in-vitro ADAALP COc1cccc([C@@H](C[NH3+])[NH+](C)C)c1 19735777 168271711 /nfs/dbraw/zinc/27/17/11/168271711.db2.gz ZTMHUNSEVFJKER-LLVKDONJSA-N 2 2 194.278 1.257 50 0 in-vitro ADAALP COc1cccc([C@H](C[NH3+])[NH+](C)C)c1 19735778 168272093 /nfs/dbraw/zinc/27/20/93/168272093.db2.gz ZTMHUNSEVFJKER-NSHDSACASA-N 2 2 194.278 1.257 50 0 in-vitro ADAALP C[C@@H](C[NH3+])[N@H+](C)Cc1ccccc1 19281488 168343127 /nfs/dbraw/zinc/34/31/27/168343127.db2.gz LSPPTXRFKXECFR-JTQLQIEISA-N 2 2 178.279 1.466 50 0 in-vitro ADAALP C[C@@H](C[NH3+])[N@@H+](C)Cc1ccccc1 19281488 168343130 /nfs/dbraw/zinc/34/31/30/168343130.db2.gz LSPPTXRFKXECFR-JTQLQIEISA-N 2 2 178.279 1.466 50 0 in-vitro ADAALP C[C@@H](C[NH3+])[N@@H+]1CCc2ccccc2C1 19794317 168345810 /nfs/dbraw/zinc/34/58/10/168345810.db2.gz UJWSUHSIWKEFHM-JTQLQIEISA-N 2 2 190.290 1.392 50 0 in-vitro ADAALP C[C@@H](C[NH3+])[N@H+]1CCc2ccccc2C1 19794317 168345811 /nfs/dbraw/zinc/34/58/11/168345811.db2.gz UJWSUHSIWKEFHM-JTQLQIEISA-N 2 2 190.290 1.392 50 0 in-vitro ADAALP C[C@@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 22916993 168363539 /nfs/dbraw/zinc/36/35/39/168363539.db2.gz KUENUWACNZYNKC-SNVBAGLBSA-N 2 2 190.290 1.392 50 0 in-vitro ADAALP C[C@@H]([NH3+])C[N@H+]1CCc2ccccc2C1 22916993 168363540 /nfs/dbraw/zinc/36/35/40/168363540.db2.gz KUENUWACNZYNKC-SNVBAGLBSA-N 2 2 190.290 1.392 50 0 in-vitro ADAALP C[C@@H]([NH3+])Cc1cn2ccccc2[nH+]1 36243936 168364411 /nfs/dbraw/zinc/36/44/11/168364411.db2.gz WZCUWZAVDFVCTE-MRVPVSSYSA-N 2 2 175.235 1.224 50 0 ADAALP C[C@@H]([NH3+])[C@H](c1ccccc1)[NH+](C)C 42900862 168367495 /nfs/dbraw/zinc/36/74/95/168367495.db2.gz LMTBPLOIFJDYEV-MWLCHTKSSA-N 2 2 178.279 1.637 50 0 in-vitro ADAALP C[C@@H]([NH3+])c1ccc(-n2cc[nH+]c2)cc1 1301238 168369846 /nfs/dbraw/zinc/36/98/46/168369846.db2.gz OYVAMJZOLMOBIL-SECBINFHSA-N 2 2 187.246 1.892 50 0 in-vitro ADAALP C[C@@H]([NH3+])c1cccc(-n2cc[nH+]c2)c1 71790722 168370444 /nfs/dbraw/zinc/37/04/44/168370444.db2.gz IXPMKBMVQBDDBE-SECBINFHSA-N 2 2 187.246 1.892 50 0 in-vitro ADAALP C[C@@H]1CC[NH2+]C[C@@H]1n1cc[nH+]c1 75772061 168435747 /nfs/dbraw/zinc/43/57/47/168435747.db2.gz SAKIRPGKBFEANV-BDAKNGLRSA-N 2 2 165.240 1.054 50 0 in-vitro ADAALP C[C@H]([NH3+])[C@@H](c1ccccc1)[NH+](C)C 42900854 168551628 /nfs/dbraw/zinc/55/16/28/168551628.db2.gz LMTBPLOIFJDYEV-ONGXEEELSA-N 2 2 178.279 1.637 50 0 in-vitro ADAALP C[C@@H]([NH3+])[C@@H](c1ccccc1)[NH+](C)C 42900856 168365629 /nfs/dbraw/zinc/36/56/29/168365629.db2.gz LMTBPLOIFJDYEV-KOLCDFICSA-N 2 2 178.279 1.637 50 0 in-vitro ADAALP Cn1c(CCC[NH3+])[nH+]c2ccccc21 4244038 169032336 /nfs/dbraw/zinc/03/23/36/169032336.db2.gz IPIKWNHOWCSDJF-UHFFFAOYSA-N 2 2 189.262 1.465 50 0 ADAALP Cn1cccc1[C@@H](C[NH3+])[NH+]1CCCC1 70636468 169050125 /nfs/dbraw/zinc/05/01/25/169050125.db2.gz WUTQHOXNRYJTGS-LLVKDONJSA-N 2 2 193.294 1.121 50 0 ADAALP Cn1cccc1[C@H](C[NH3+])[NH+]1CCCC1 70636469 169050525 /nfs/dbraw/zinc/05/05/25/169050525.db2.gz WUTQHOXNRYJTGS-NSHDSACASA-N 2 2 193.294 1.121 50 0 ADAALP Cn1cc[nH+]c1-c1cccc(C[NH3+])c1 69027589 169052276 /nfs/dbraw/zinc/05/22/76/169052276.db2.gz ZABFXUZRZNFHFJ-UHFFFAOYSA-N 2 2 187.246 1.546 50 0 in-vitro ADAALP Fc1c[nH+]ccc1NC1CC[NH2+]CC1 98213794 169089183 /nfs/dbraw/zinc/08/91/83/169089183.db2.gz PKNMYTVGWVOJST-UHFFFAOYSA-N 2 2 195.241 1.385 50 0 ADAALP NC(=[NH2+])CCc1[nH]c2ccccc2[nH+]1 66324397 169135823 /nfs/dbraw/zinc/13/58/23/169135823.db2.gz NSXORPZLJBCISB-UHFFFAOYSA-N 2 2 188.234 1.431 50 0 ADAALP [NH3+]CCCCCn1cc[nH+]c1 4226763 169181073 /nfs/dbraw/zinc/18/10/73/169181073.db2.gz JDBFAMNSPLNCHO-UHFFFAOYSA-N 2 2 153.229 1.012 50 0 in-vitro ADAALP [NH3+]CCCCCCn1cc[nH+]c1 4226785 169181096 /nfs/dbraw/zinc/18/10/96/169181096.db2.gz OBLYTDCWEDKEKG-UHFFFAOYSA-N 2 2 167.256 1.402 50 0 ADAALP [NH3+]CCCCCc1c[nH]c[nH+]1 1540629 169181343 /nfs/dbraw/zinc/18/13/43/169181343.db2.gz MZCJWLAXZRFUPI-UHFFFAOYSA-N 2 2 153.229 1.081 50 0 in-vitro ADAALP [NH3+]CCCCCc1c[nH+]c[nH]1 1540629 169181345 /nfs/dbraw/zinc/18/13/45/169181345.db2.gz MZCJWLAXZRFUPI-UHFFFAOYSA-N 2 2 153.229 1.081 50 0 in-vitro ADAALP [NH3+]CCCCc1[nH]c2ccccc2[nH+]1 5023219 169182497 /nfs/dbraw/zinc/18/24/97/169182497.db2.gz GFIQENBZTGDRFF-UHFFFAOYSA-N 2 2 189.262 1.844 50 0 in-vitro ADAALP [NH3+]CCCCNc1cccc[nH+]1 32501118 169183030 /nfs/dbraw/zinc/18/30/30/169183030.db2.gz RAJSAPSERUGCBT-UHFFFAOYSA-N 2 2 165.240 1.232 50 0 in-vitro ADAALP [NH3+]CCCc1[nH]c2ccc(F)cc2[nH+]1 6677251 169185557 /nfs/dbraw/zinc/18/55/57/169185557.db2.gz ARDAZMOGCHSNBB-UHFFFAOYSA-N 2 2 193.225 1.593 50 0 in-vitro ADAALP [NH3+]CCCc1cn2ccccc2[nH+]1 19765397 169185747 /nfs/dbraw/zinc/18/57/47/169185747.db2.gz COJSGXJUUFCTIG-UHFFFAOYSA-N 2 2 175.235 1.226 50 0 ADAALP [NH3+]CCCc1[nH]c2ccccc2[nH+]1 2025639 169185780 /nfs/dbraw/zinc/18/57/80/169185780.db2.gz FQJGVSXDQPGNMO-UHFFFAOYSA-N 2 2 175.235 1.454 50 0 in-vitro ADAALP [NH3+]CCCc1ccc2c([nH+]1)NCCC2 2527506 169185807 /nfs/dbraw/zinc/18/58/07/169185807.db2.gz BWMYVZPZPGAOPC-UHFFFAOYSA-N 2 2 191.278 1.331 50 0 ADAALP [NH3+]CCCc1[nH]c2ccc(O)cc2[nH+]1 6445996 169185954 /nfs/dbraw/zinc/18/59/54/169185954.db2.gz QSDIETLTSIOGHE-UHFFFAOYSA-N 2 2 191.234 1.160 50 0 ADAALP [NH3+]CC[N@@H+]1CC[C@@H](c2ccccc2)C1 19735710 169188121 /nfs/dbraw/zinc/18/81/21/169188121.db2.gz JYLXONWPLLPZGN-GFCCVEGCSA-N 2 2 190.290 1.435 50 0 in-vitro ADAALP [NH3+]CC[N@H+]1CC[C@@H](c2ccccc2)C1 19735710 169188123 /nfs/dbraw/zinc/18/81/23/169188123.db2.gz JYLXONWPLLPZGN-GFCCVEGCSA-N 2 2 190.290 1.435 50 0 in-vitro ADAALP [NH3+]CC[N@@H+]1CC[C@H](c2ccccc2)C1 19735711 169188552 /nfs/dbraw/zinc/18/85/52/169188552.db2.gz JYLXONWPLLPZGN-LBPRGKRZSA-N 2 2 190.290 1.435 50 0 in-vitro ADAALP [NH3+]CC[N@H+]1CC[C@H](c2ccccc2)C1 19735711 169188553 /nfs/dbraw/zinc/18/85/53/169188553.db2.gz JYLXONWPLLPZGN-LBPRGKRZSA-N 2 2 190.290 1.435 50 0 in-vitro ADAALP [NH3+]CC[N@@H+]1CCc2ccccc2C1 19365196 169188702 /nfs/dbraw/zinc/18/87/02/169188702.db2.gz JTEJMGHPAYJBTA-UHFFFAOYSA-N 2 2 176.263 1.003 50 0 in-vitro ADAALP [NH3+]CC[N@H+]1CCc2ccccc2C1 19365196 169188704 /nfs/dbraw/zinc/18/87/04/169188704.db2.gz JTEJMGHPAYJBTA-UHFFFAOYSA-N 2 2 176.263 1.003 50 0 in-vitro ADAALP [NH3+]CC[NH2+]Cc1cccc(Cl)c1 32919754 169189649 /nfs/dbraw/zinc/18/96/49/169189649.db2.gz WFDIONAMRSWISW-UHFFFAOYSA-N 2 2 184.670 1.388 50 0 ADAALP [NH3+]CC[NH2+]Cc1ccc(Cl)cc1 19732672 169189760 /nfs/dbraw/zinc/18/97/60/169189760.db2.gz NENSJZAMDSIIJW-UHFFFAOYSA-N 2 2 184.670 1.388 50 0 ADAALP [NH3+]CC[NH2+]Cc1ccccc1Cl 19369186 169190208 /nfs/dbraw/zinc/19/02/08/169190208.db2.gz WTGFJEQTHKHUID-UHFFFAOYSA-N 2 2 184.670 1.388 50 0 ADAALP [NH3+]CCc1cn2cc(Cl)ccc2[nH+]1 11919480 169199001 /nfs/dbraw/zinc/19/90/01/169199001.db2.gz RZQHRCFVCAUBIG-UHFFFAOYSA-N 2 2 195.653 1.489 50 0 in-vitro ADAALP [NH3+]CCc1[nH]c[nH+]c1-c1cccs1 31891460 169200225 /nfs/dbraw/zinc/20/02/25/169200225.db2.gz IETGAJJKNNRANH-UHFFFAOYSA-N 2 2 193.275 1.639 50 0 ADAALP [NH3+]CCc1[nH+]ccn1-c1ccccc1 71500056 169200718 /nfs/dbraw/zinc/20/07/18/169200718.db2.gz ZQHNGYLHCJPTGG-UHFFFAOYSA-N 2 2 187.246 1.374 50 0 ADAALP [NH3+]CCn1cc[nH+]c1-c1ccccc1 12953707 169201187 /nfs/dbraw/zinc/20/11/87/169201187.db2.gz ZVHZLDXOWVXOEF-UHFFFAOYSA-N 2 2 187.246 1.509 50 0 ADAALP [NH3+]CCn1c[nH+]cc1-c1ccccc1 82655665 169201782 /nfs/dbraw/zinc/20/17/82/169201782.db2.gz KQNRFJSBIABNPB-UHFFFAOYSA-N 2 2 187.246 1.509 50 0 ADAALP [NH3+]C[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 62709903 169202765 /nfs/dbraw/zinc/20/27/65/169202765.db2.gz XCQUUGAHDFWBHH-SSDOTTSWSA-N 2 2 190.168 1.062 50 0 in-vitro ADAALP [NH3+]C[C@@H]([NH3+])c1ccc(Cl)cc1 35677136 169203595 /nfs/dbraw/zinc/20/35/95/169203595.db2.gz DYQPAVDDRLNLKW-MRVPVSSYSA-N 2 2 170.643 1.299 50 0 ADAALP [NH3+]C[C@@H]([NH3+])c1csc2ccccc12 54464079 169203697 /nfs/dbraw/zinc/20/36/97/169203697.db2.gz PGDBMRTYHJMUIT-SECBINFHSA-N 2 2 192.287 1.860 50 0 in-vitro ADAALP [NH3+]C[C@@H]([NH3+])c1ccc2ncccc2c1 44470393 169203958 /nfs/dbraw/zinc/20/39/58/169203958.db2.gz XEQWIGYDPOMOFT-SNVBAGLBSA-N 2 2 187.246 1.193 50 0 in-vitro ADAALP [NH3+]C[C@@H](c1ccco1)[NH+]1CCCCC1 19362027 169206214 /nfs/dbraw/zinc/20/62/14/169206214.db2.gz PZAFITNXUAYSNP-JTQLQIEISA-N 2 2 194.278 1.765 50 0 in-vitro ADAALP [NH3+]C[C@@H](c1cccnc1)[NH+]1CCCC1 38860401 169206436 /nfs/dbraw/zinc/20/64/36/169206436.db2.gz QOOLXOSOSUGZJN-NSHDSACASA-N 2 2 191.278 1.177 50 0 in-vitro ADAALP [NH3+]C[C@@H](c1ccccc1)[NH+]1CCCC1 95483744 169206485 /nfs/dbraw/zinc/20/64/85/169206485.db2.gz DIFGFCHLYHBEMH-LBPRGKRZSA-N 2 2 190.290 1.782 50 0 in-vitro ADAALP [NH3+]C[C@@H](c1ccco1)[NH+]1CCCC1 19230091 169206878 /nfs/dbraw/zinc/20/68/78/169206878.db2.gz UYQVLFHSKHZNKC-VIFPVBQESA-N 2 2 180.251 1.375 50 0 in-vitro ADAALP [NH3+]C[C@@H](c1cccs1)[NH+]1CCCC1 19735775 169207139 /nfs/dbraw/zinc/20/71/39/169207139.db2.gz HZLMJMYZCMEADV-VIFPVBQESA-N 2 2 196.319 1.844 50 0 in-vitro ADAALP [NH3+]C[C@@H](c1ccsc1)[NH+]1CCCC1 22178552 169207213 /nfs/dbraw/zinc/20/72/13/169207213.db2.gz ARMCXCSVTGOSHX-JTQLQIEISA-N 2 2 196.319 1.844 50 0 ADAALP [NH3+]C[C@@H](c1ccccc1)c1[nH]cc[nH+]1 61613844 169207217 /nfs/dbraw/zinc/20/72/17/169207217.db2.gz JGIPIESFTIMDNY-JTQLQIEISA-N 2 2 187.246 1.500 50 0 ADAALP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccccn1 95072846 169207704 /nfs/dbraw/zinc/20/77/04/169207704.db2.gz IBWKACOHLOFKID-NSHDSACASA-N 2 2 191.278 1.005 50 0 ADAALP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccccn1 95072846 169207706 /nfs/dbraw/zinc/20/77/06/169207706.db2.gz IBWKACOHLOFKID-NSHDSACASA-N 2 2 191.278 1.005 50 0 ADAALP [NH3+]C[C@@H]1CC[N@@H+]1Cc1ccccc1 32629433 169207882 /nfs/dbraw/zinc/20/78/82/169207882.db2.gz VEWIYLBNEGSCTO-NSHDSACASA-N 2 2 176.263 1.220 50 0 in-vitro ADAALP [NH3+]C[C@@H]1CC[N@H+]1Cc1ccccc1 32629433 169207883 /nfs/dbraw/zinc/20/78/83/169207883.db2.gz VEWIYLBNEGSCTO-NSHDSACASA-N 2 2 176.263 1.220 50 0 in-vitro ADAALP [NH3+]C[C@H]([NH3+])c1ccc(Cl)cc1 35677137 169212232 /nfs/dbraw/zinc/21/22/32/169212232.db2.gz DYQPAVDDRLNLKW-QMMMGPOBSA-N 2 2 170.643 1.299 50 0 ADAALP [NH3+]C[C@H]([NH3+])c1csc2ccccc12 54464090 169212270 /nfs/dbraw/zinc/21/22/70/169212270.db2.gz PGDBMRTYHJMUIT-VIFPVBQESA-N 2 2 192.287 1.860 50 0 in-vitro ADAALP [NH3+]C[C@H]([NH3+])c1ccc2ncccc2c1 44470396 169212578 /nfs/dbraw/zinc/21/25/78/169212578.db2.gz XEQWIGYDPOMOFT-JTQLQIEISA-N 2 2 187.246 1.193 50 0 in-vitro ADAALP [NH3+]C[C@H]([NH3+])c1cc(F)c(F)c(F)c1 62709906 169212663 /nfs/dbraw/zinc/21/26/63/169212663.db2.gz XCQUUGAHDFWBHH-ZETCQYMHSA-N 2 2 190.168 1.062 50 0 in-vitro ADAALP [NH3+]C[C@H](c1cccnc1)[NH+]1CCCC1 38860397 169213859 /nfs/dbraw/zinc/21/38/59/169213859.db2.gz QOOLXOSOSUGZJN-LLVKDONJSA-N 2 2 191.278 1.177 50 0 in-vitro ADAALP [NH3+]C[C@H](c1ccccc1)c1[nH]cc[nH+]1 61613843 169213863 /nfs/dbraw/zinc/21/38/63/169213863.db2.gz JGIPIESFTIMDNY-SNVBAGLBSA-N 2 2 187.246 1.500 50 0 ADAALP [NH3+]C[C@H](c1ccccc1)[NH+]1CCCC1 95483743 169214014 /nfs/dbraw/zinc/21/40/14/169214014.db2.gz DIFGFCHLYHBEMH-GFCCVEGCSA-N 2 2 190.290 1.782 50 0 in-vitro ADAALP [NH3+]C[C@H](c1ccsc1)[NH+]1CCCC1 22178549 169214840 /nfs/dbraw/zinc/21/48/40/169214840.db2.gz ARMCXCSVTGOSHX-SNVBAGLBSA-N 2 2 196.319 1.844 50 0 ADAALP [NH3+]C[C@H](c1cccs1)[NH+]1CCCC1 19735774 169214928 /nfs/dbraw/zinc/21/49/28/169214928.db2.gz HZLMJMYZCMEADV-SECBINFHSA-N 2 2 196.319 1.844 50 0 in-vitro ADAALP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccccn1 95072845 169214936 /nfs/dbraw/zinc/21/49/36/169214936.db2.gz IBWKACOHLOFKID-LLVKDONJSA-N 2 2 191.278 1.005 50 0 ADAALP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccccn1 95072845 169214937 /nfs/dbraw/zinc/21/49/37/169214937.db2.gz IBWKACOHLOFKID-LLVKDONJSA-N 2 2 191.278 1.005 50 0 ADAALP [NH3+]C[C@H](c1ccco1)[NH+]1CCCCC1 19362028 169215476 /nfs/dbraw/zinc/21/54/76/169215476.db2.gz PZAFITNXUAYSNP-SNVBAGLBSA-N 2 2 194.278 1.765 50 0 in-vitro ADAALP [NH3+]C[C@H](c1ccco1)[NH+]1CCCC1 19230089 169215592 /nfs/dbraw/zinc/21/55/92/169215592.db2.gz UYQVLFHSKHZNKC-SECBINFHSA-N 2 2 180.251 1.375 50 0 in-vitro ADAALP [NH3+]C[C@H]1CC[N@@H+]1Cc1ccccc1 32629435 169215815 /nfs/dbraw/zinc/21/58/15/169215815.db2.gz VEWIYLBNEGSCTO-LLVKDONJSA-N 2 2 176.263 1.220 50 0 in-vitro ADAALP [NH3+]C[C@H]1CC[N@H+]1Cc1ccccc1 32629435 169215816 /nfs/dbraw/zinc/21/58/16/169215816.db2.gz VEWIYLBNEGSCTO-LLVKDONJSA-N 2 2 176.263 1.220 50 0 in-vitro ADAALP [NH3+]Cc1c[nH]c2cc[nH+]cc12 24780782 169219643 /nfs/dbraw/zinc/21/96/43/169219643.db2.gz KBXFWIMIYYDPNJ-UHFFFAOYSA-N 2 2 147.181 1.022 50 0 ADAALP [NH3+]Cc1ccc(-c2c[nH]c[nH+]2)cc1 22015956 169221534 /nfs/dbraw/zinc/22/15/34/169221534.db2.gz HGIDLCJAORUXFC-UHFFFAOYSA-N 2 2 173.219 1.535 50 0 in-vitro ADAALP [NH3+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 11757290 169221953 /nfs/dbraw/zinc/22/19/53/169221953.db2.gz JUTIXVFSGDRBRN-UHFFFAOYSA-N 2 2 191.209 1.470 50 0 in-vitro ADAALP [NH3+]Cc1ccc(Cn2cc[nH+]c2)cc1 8390412 169222054 /nfs/dbraw/zinc/22/20/54/169222054.db2.gz UVIGZMZSEKYQAZ-UHFFFAOYSA-N 2 2 187.246 1.390 50 0 ADAALP [NH3+]Cc1ccc(-n2cc[nH+]c2)cc1 11757264 169222057 /nfs/dbraw/zinc/22/20/57/169222057.db2.gz MACCCEHTOQDLIP-UHFFFAOYSA-N 2 2 173.219 1.331 50 0 in-vitro ADAALP [NH3+]Cc1ccc(-c2[nH]cc[nH+]2)cc1 80441182 169222502 /nfs/dbraw/zinc/22/25/02/169222502.db2.gz VDRVYAZGWHECCL-UHFFFAOYSA-N 2 2 173.219 1.535 50 0 in-vitro ADAALP [NH3+]Cc1ccccc1-n1cc[nH+]c1 3880895 169224146 /nfs/dbraw/zinc/22/41/46/169224146.db2.gz JHDMBRSDCFLSTD-UHFFFAOYSA-N 2 2 173.219 1.331 50 0 in-vitro ADAALP [NH3+]Cc1ccccc1-c1[nH]cc[nH+]1 38324958 169224212 /nfs/dbraw/zinc/22/42/12/169224212.db2.gz IRPDMVRGNZBTMZ-UHFFFAOYSA-N 2 2 173.219 1.535 50 0 ADAALP [NH3+]Cc1cccc(-n2cc[nH+]c2)c1 68592567 169224374 /nfs/dbraw/zinc/22/43/74/169224374.db2.gz XTMGJUHDNSODLY-UHFFFAOYSA-N 2 2 173.219 1.331 50 0 in-vitro ADAALP [NH3+]Cc1cccc(-c2[nH]cc[nH+]2)c1 90225699 169224396 /nfs/dbraw/zinc/22/43/96/169224396.db2.gz VLMJVDGKWDSHCZ-UHFFFAOYSA-N 2 2 173.219 1.535 50 0 in-vitro ADAALP [NH3+]Cc1cccc(-c2c[nH]c[nH+]2)c1 82868042 169224548 /nfs/dbraw/zinc/22/45/48/169224548.db2.gz RVBVEEGNEOEISK-UHFFFAOYSA-N 2 2 173.219 1.535 50 0 in-vitro ADAALP [NH3+]Cc1cccc(Cn2cc[nH+]c2)c1 20282626 169224770 /nfs/dbraw/zinc/22/47/70/169224770.db2.gz OHRAFCDXQJMMTQ-UHFFFAOYSA-N 2 2 187.246 1.390 50 0 in-vitro ADAALP [NH3+]Cc1ccccc1Cn1cc[nH+]c1 9466706 169224827 /nfs/dbraw/zinc/22/48/27/169224827.db2.gz KQDQKIUTQYNZIO-UHFFFAOYSA-N 2 2 187.246 1.390 50 0 in-vitro ADAALP [NH3+]Cc1c[nH+]cn1CC1CCC1 85196767 169226792 /nfs/dbraw/zinc/22/67/92/169226792.db2.gz PFDWNJAARMVMRN-UHFFFAOYSA-N 2 2 165.240 1.142 50 0 ADAALP [NH3+][C@@H](Cc1[nH]cc[nH+]1)c1ccccc1 9156389 169247134 /nfs/dbraw/zinc/24/71/34/169247134.db2.gz UILZJHCFDFUHKX-JTQLQIEISA-N 2 2 187.246 1.652 50 0 in-vitro ADAALP [NH3+][C@@H](Cn1cc[nH+]c1)c1ccccc1 38808859 169247405 /nfs/dbraw/zinc/24/74/05/169247405.db2.gz NYQHWEIQMDYXSR-NSHDSACASA-N 2 2 187.246 1.583 50 0 ADAALP [NH3+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 95082141 169251558 /nfs/dbraw/zinc/25/15/58/169251558.db2.gz HARWNWOLWMTQCC-GFCCVEGCSA-N 2 2 190.290 1.610 50 0 in-vitro ADAALP [NH3+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 95082141 169251560 /nfs/dbraw/zinc/25/15/60/169251560.db2.gz HARWNWOLWMTQCC-GFCCVEGCSA-N 2 2 190.290 1.610 50 0 in-vitro ADAALP [NH3+][C@@H]1CCCC[C@H]1[NH+]1CCCCC1 19396519 169251591 /nfs/dbraw/zinc/25/15/91/169251591.db2.gz QHFKXCGYRHKLNG-GHMZBOCLSA-N 2 2 182.311 1.742 50 0 ADAALP [NH3+][C@@H]1CCC[N@H+](Cc2cccs2)C1 20479831 169252055 /nfs/dbraw/zinc/25/20/55/169252055.db2.gz UCTGZMSIPDXPBS-SECBINFHSA-N 2 2 196.319 1.671 50 0 in-vitro ADAALP [NH3+][C@@H]1CCC[N@@H+](Cc2cccs2)C1 20479831 169252056 /nfs/dbraw/zinc/25/20/56/169252056.db2.gz UCTGZMSIPDXPBS-SECBINFHSA-N 2 2 196.319 1.671 50 0 in-vitro ADAALP [NH3+][C@@H]1CCC[N@@H+](C2CCCCC2)C1 41027722 169252093 /nfs/dbraw/zinc/25/20/93/169252093.db2.gz JWKJHQNKTLGEBL-SNVBAGLBSA-N 2 2 182.311 1.742 50 0 in-vitro ADAALP [NH3+][C@@H]1CCC[N@H+](C2CCCCC2)C1 41027722 169252094 /nfs/dbraw/zinc/25/20/94/169252094.db2.gz JWKJHQNKTLGEBL-SNVBAGLBSA-N 2 2 182.311 1.742 50 0 in-vitro ADAALP [NH3+][C@@H]1CC[N@H+](Cc2ccccc2)C1 19230172 169254499 /nfs/dbraw/zinc/25/44/99/169254499.db2.gz HBVNLKQGRZPGRP-LLVKDONJSA-N 2 2 176.263 1.220 50 0 in-vitro ADAALP [NH3+][C@@H]1CC[N@@H+](Cc2ccccc2)C1 19230172 169254500 /nfs/dbraw/zinc/25/45/00/169254500.db2.gz HBVNLKQGRZPGRP-LLVKDONJSA-N 2 2 176.263 1.220 50 0 in-vitro ADAALP [NH3+][C@H](Cc1[nH]cc[nH+]1)c1ccccc1 9156388 169268014 /nfs/dbraw/zinc/26/80/14/169268014.db2.gz UILZJHCFDFUHKX-SNVBAGLBSA-N 2 2 187.246 1.652 50 0 in-vitro ADAALP [NH3+][C@H](Cn1cc[nH+]c1)c1ccccc1 38192800 169269637 /nfs/dbraw/zinc/26/96/37/169269637.db2.gz NYQHWEIQMDYXSR-LLVKDONJSA-N 2 2 187.246 1.583 50 0 ADAALP [NH3+][C@H]1CCC[N@H+](Cc2ccccc2)C1 95082140 169271900 /nfs/dbraw/zinc/27/19/00/169271900.db2.gz HARWNWOLWMTQCC-LBPRGKRZSA-N 2 2 190.290 1.610 50 0 in-vitro ADAALP [NH3+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 95082140 169271902 /nfs/dbraw/zinc/27/19/02/169271902.db2.gz HARWNWOLWMTQCC-LBPRGKRZSA-N 2 2 190.290 1.610 50 0 in-vitro ADAALP [NH3+][C@H]1CCC[N@H+](Cc2cccs2)C1 20479832 169271997 /nfs/dbraw/zinc/27/19/97/169271997.db2.gz UCTGZMSIPDXPBS-VIFPVBQESA-N 2 2 196.319 1.671 50 0 in-vitro ADAALP [NH3+][C@H]1CCC[N@@H+](Cc2cccs2)C1 20479832 169271998 /nfs/dbraw/zinc/27/19/98/169271998.db2.gz UCTGZMSIPDXPBS-VIFPVBQESA-N 2 2 196.319 1.671 50 0 in-vitro ADAALP [NH3+][C@H]1CCC[N@@H+](C2CCCCC2)C1 31993105 169272527 /nfs/dbraw/zinc/27/25/27/169272527.db2.gz JWKJHQNKTLGEBL-JTQLQIEISA-N 2 2 182.311 1.742 50 0 in-vitro ADAALP [NH3+][C@H]1CCC[N@H+](C2CCCCC2)C1 31993105 169272528 /nfs/dbraw/zinc/27/25/28/169272528.db2.gz JWKJHQNKTLGEBL-JTQLQIEISA-N 2 2 182.311 1.742 50 0 in-vitro ADAALP [NH3+][C@H]1CC[N@H+](Cc2ccccc2)C1 19230174 169274191 /nfs/dbraw/zinc/27/41/91/169274191.db2.gz HBVNLKQGRZPGRP-NSHDSACASA-N 2 2 176.263 1.220 50 0 in-vitro ADAALP [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)C1 19230174 169274193 /nfs/dbraw/zinc/27/41/93/169274193.db2.gz HBVNLKQGRZPGRP-NSHDSACASA-N 2 2 176.263 1.220 50 0 in-vitro ADAALP [NH3+][C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 238689585 169275497 /nfs/dbraw/zinc/27/54/97/169275497.db2.gz QQJKATBTUNOFBF-MGCOHNPYSA-N 2 2 191.278 1.763 50 0 in-vitro ADAALP [NH3+][C@]12C[C@H]1C[N@H+](Cc1ccccc1)C2 34724706 169282193 /nfs/dbraw/zinc/28/21/93/169282193.db2.gz PQUOTRWVYDFMHN-RYUDHWBXSA-N 2 2 188.274 1.220 50 0 ADAALP [NH3+][C@]12C[C@H]1C[N@@H+](Cc1ccccc1)C2 34724706 169282194 /nfs/dbraw/zinc/28/21/94/169282194.db2.gz PQUOTRWVYDFMHN-RYUDHWBXSA-N 2 2 188.274 1.220 50 0 ADAALP Nc1ccc[nH+]c1Nc1cc[nH+]cc1 75577195 169300197 /nfs/dbraw/zinc/30/01/97/169300197.db2.gz DCWDMZNHYTYQMB-UHFFFAOYSA-N 2 2 186.218 1.802 50 0 ADAALP Cc1ccc2[nH]c(CCC[NH3+])[nH+]c2c1 4385482 171013244 /nfs/dbraw/zinc/01/32/44/171013244.db2.gz VODKOVJAIAVEJZ-UHFFFAOYSA-N 2 2 189.262 1.763 50 0 in-vitro ADAALP Cc1ccc2[nH+]c(CCC[NH3+])[nH]c2c1 4385482 171013245 /nfs/dbraw/zinc/01/32/45/171013245.db2.gz VODKOVJAIAVEJZ-UHFFFAOYSA-N 2 2 189.262 1.763 50 0 in-vitro ADAALP CC(C)(C)[C@@H]([NH3+])Cn1cc[nH+]c1 4635038 171013709 /nfs/dbraw/zinc/01/37/09/171013709.db2.gz LBMYOBPKNFXLIA-QMMMGPOBSA-N 2 2 167.256 1.257 50 0 in-vitro ADAALP COc1ccc2[nH]c(CC[NH3+])[nH+]c2c1 11567884 171023755 /nfs/dbraw/zinc/02/37/55/171023755.db2.gz FBEXKNOXRQGGCX-UHFFFAOYSA-N 2 2 191.234 1.073 50 0 in-vitro ADAALP [NH3+]C1CC[NH+](Cc2ccccn2)CC1 13483634 171027171 /nfs/dbraw/zinc/02/71/71/171027171.db2.gz MHKZEPLHUMBAES-UHFFFAOYSA-N 2 2 191.278 1.005 50 0 in-vitro ADAALP Cc1ccc2[nH]c(CC[NH3+])[nH+]c2c1C 15635421 171029933 /nfs/dbraw/zinc/02/99/33/171029933.db2.gz HEZISPUWFNYMKU-UHFFFAOYSA-N 2 2 189.262 1.681 50 0 ADAALP Cc1ccc2[nH+]c(CC[NH3+])[nH]c2c1C 15635421 171029934 /nfs/dbraw/zinc/02/99/34/171029934.db2.gz HEZISPUWFNYMKU-UHFFFAOYSA-N 2 2 189.262 1.681 50 0 ADAALP Cc1ccccc1[C@@H](C[NH3+])[NH+](C)C 19795965 171035636 /nfs/dbraw/zinc/03/56/36/171035636.db2.gz UIIGCYIMWMFPTM-LLVKDONJSA-N 2 2 178.279 1.556 50 0 in-vitro ADAALP CC[NH+](CC)[C@@H](C[NH3+])c1ccco1 19735623 171036079 /nfs/dbraw/zinc/03/60/79/171036079.db2.gz XIBTZZUXZNNSTP-VIFPVBQESA-N 2 2 182.267 1.621 50 0 in-vitro ADAALP Cc1ccccc1[C@H](C[NH3+])[NH+](C)C 19795962 171036112 /nfs/dbraw/zinc/03/61/12/171036112.db2.gz UIIGCYIMWMFPTM-NSHDSACASA-N 2 2 178.279 1.556 50 0 in-vitro ADAALP c1csc(C[N@H+]2CCC[NH2+]CC2)c1 23093604 171042454 /nfs/dbraw/zinc/04/24/54/171042454.db2.gz UCXFSSXNVMAXCU-UHFFFAOYSA-N 2 2 196.319 1.543 50 0 in-vitro ADAALP C[C@H]1CC[C@@H](C)[N@@H+]1[C@@H]1CCC[NH2+]C1 36379427 171060907 /nfs/dbraw/zinc/06/09/07/171060907.db2.gz QQRILNLFDBBTQQ-OUAUKWLOSA-N 2 2 182.311 1.611 50 0 ADAALP C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CCC[NH2+]C1 36379427 171060908 /nfs/dbraw/zinc/06/09/08/171060908.db2.gz QQRILNLFDBBTQQ-OUAUKWLOSA-N 2 2 182.311 1.611 50 0 ADAALP Cc1ccccc1C[N@@H+]1CC[C@H]([NH3+])C1 38538665 171069926 /nfs/dbraw/zinc/06/99/26/171069926.db2.gz KBQWAGIDBNRGMT-LBPRGKRZSA-N 2 2 190.290 1.528 50 0 ADAALP Cc1ccccc1C[N@H+]1CC[C@H]([NH3+])C1 38538665 171069927 /nfs/dbraw/zinc/06/99/27/171069927.db2.gz KBQWAGIDBNRGMT-LBPRGKRZSA-N 2 2 190.290 1.528 50 0 ADAALP Cc1ccccc1C[N@@H+]1CC[C@@H]([NH3+])C1 38538662 171070226 /nfs/dbraw/zinc/07/02/26/171070226.db2.gz KBQWAGIDBNRGMT-GFCCVEGCSA-N 2 2 190.290 1.528 50 0 ADAALP Cc1ccccc1C[N@H+]1CC[C@@H]([NH3+])C1 38538662 171070227 /nfs/dbraw/zinc/07/02/27/171070227.db2.gz KBQWAGIDBNRGMT-GFCCVEGCSA-N 2 2 190.290 1.528 50 0 ADAALP Cc1ccccc1[C@H]([C@@H](C)[NH3+])[NH+](C)C 43033990 171087150 /nfs/dbraw/zinc/08/71/50/171087150.db2.gz QVYNBHLPEFWUTQ-PWSUYJOCSA-N 2 2 192.306 1.945 50 0 in-vitro ADAALP Cc1ccccc1[C@@H]([C@H](C)[NH3+])[NH+](C)C 43033993 171087165 /nfs/dbraw/zinc/08/71/65/171087165.db2.gz QVYNBHLPEFWUTQ-CMPLNLGQSA-N 2 2 192.306 1.945 50 0 in-vitro ADAALP Cc1ccccc1[C@H]([C@H](C)[NH3+])[NH+](C)C 43033997 171087425 /nfs/dbraw/zinc/08/74/25/171087425.db2.gz QVYNBHLPEFWUTQ-JQWIXIFHSA-N 2 2 192.306 1.945 50 0 in-vitro ADAALP Cc1ccccc1[C@@H]([C@@H](C)[NH3+])[NH+](C)C 43033987 171087627 /nfs/dbraw/zinc/08/76/27/171087627.db2.gz QVYNBHLPEFWUTQ-ZYHUDNBSSA-N 2 2 192.306 1.945 50 0 in-vitro ADAALP CC(C)(C)C(=O)C[NH+]1CCC([NH3+])CC1 50878224 171096725 /nfs/dbraw/zinc/09/67/25/171096725.db2.gz TZZYFPPMUDBSHZ-UHFFFAOYSA-N 2 2 198.310 1.025 50 0 ADAALP CCOC(=[NH2+])CC(=[NH2+])OCC 100004727 171142956 /nfs/dbraw/zinc/14/29/56/171142956.db2.gz RZVGUUMNWCDIBV-UHFFFAOYSA-N 2 2 158.201 1.404 50 0 ADAALP COC(=[NH2+])CCCCC(=[NH2+])OC 100006525 171143182 /nfs/dbraw/zinc/14/31/82/171143182.db2.gz ZLFRJHOBQVVTOJ-UHFFFAOYSA-N 2 2 172.228 1.794 50 0 in-vitro ADAALP C[NH+]1CCC([NH+]2CCCCC2)CC1 4996402 171159685 /nfs/dbraw/zinc/15/96/85/171159685.db2.gz GPASDLXNNAPVRX-UHFFFAOYSA-N 2 2 182.311 1.567 50 0 ADAALP C[C@H]1CC[C@@H](C)[N@@H+]1[C@H]1CCC[NH2+]C1 238855158 171186358 /nfs/dbraw/zinc/18/63/58/171186358.db2.gz QQRILNLFDBBTQQ-AXFHLTTASA-N 2 2 182.311 1.611 50 0 ADAALP C[C@H]1CC[C@@H](C)[N@H+]1[C@H]1CCC[NH2+]C1 238855158 171186360 /nfs/dbraw/zinc/18/63/60/171186360.db2.gz QQRILNLFDBBTQQ-AXFHLTTASA-N 2 2 182.311 1.611 50 0 ADAALP Cc1ccc(NC2CC([NH3+])C2)c[nH+]1 164640599 344248698 /nfs/dbraw/zinc/24/86/98/344248698.db2.gz SRJKQHBCJPLECG-UHFFFAOYSA-N 2 2 177.251 1.292 50 0 ADAALP C[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 216101597 344395112 /nfs/dbraw/zinc/39/51/12/344395112.db2.gz MDGLWUXAHGNWDO-QWRGUYRKSA-N 2 2 176.263 1.043 50 0 in-vitro ADAALP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCC[NH2+]C1 36379429 351456626 /nfs/dbraw/zinc/45/66/26/351456626.db2.gz QQRILNLFDBBTQQ-GMTAPVOTSA-N 2 2 182.311 1.611 50 0 ADAALP C[C@@H](c1ccccc1)[C@H]([NH3+])C[NH3+] 40240812 351505522 /nfs/dbraw/zinc/50/55/22/351505522.db2.gz FXLVGPWSHAUWFU-WCBMZHEXSA-N 2 2 164.252 1.076 50 0 ADAALP C[C@H]([NH3+])c1ccc(-n2cc[nH+]c2)cc1 1301237 342943942 /nfs/dbraw/zinc/94/39/42/342943942.db2.gz OYVAMJZOLMOBIL-VIFPVBQESA-N 2 2 187.246 1.892 50 0 in-vitro ADAALP Cc1ccc(C[NH2+]CCC[NH+](C)C)o1 2183312 342970856 /nfs/dbraw/zinc/97/08/56/342970856.db2.gz WLKHRLBHQGIFKD-UHFFFAOYSA-N 2 2 196.294 1.629 50 0 in-vitro ADAALP C[NH+](C)CCC[NH2+]Cc1ccccn1 2333622 342971525 /nfs/dbraw/zinc/97/15/25/342971525.db2.gz PHNGOQUFEMIIAA-UHFFFAOYSA-N 2 2 193.294 1.123 50 0 in-vitro ADAALP Cc1ccn2cc(CC[NH3+])[nH+]c2c1 3883060 342985717 /nfs/dbraw/zinc/98/57/17/342985717.db2.gz TWYXSGQQQHPFSI-UHFFFAOYSA-N 2 2 175.235 1.144 50 0 ADAALP Cc1cccn2cc(CC[NH3+])[nH+]c12 3883061 342985866 /nfs/dbraw/zinc/98/58/66/342985866.db2.gz UQHSMFRHNGALMY-UHFFFAOYSA-N 2 2 175.235 1.144 50 0 in-vitro ADAALP Cc1[nH+]c2ccccc2n1CC[NH3+] 3888453 342986190 /nfs/dbraw/zinc/98/61/90/342986190.db2.gz UREWYRDRWNMMAZ-UHFFFAOYSA-N 2 2 175.235 1.303 50 0 in-vitro ADAALP C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 4992656 342997961 /nfs/dbraw/zinc/99/79/61/342997961.db2.gz VMZCBGQDEWCDBV-UHFFFAOYSA-N 2 2 189.262 1.715 50 0 ADAALP Cc1ccc2[nH]c(CC[NH3+])[nH+]c2c1 5818387 343008697 /nfs/dbraw/zinc/00/86/97/343008697.db2.gz BQXLLXSCNRJESI-UHFFFAOYSA-N 2 2 175.235 1.373 50 0 in-vitro ADAALP Cc1[nH+]c2ccccc2n1CCC[NH3+] 6188043 343013307 /nfs/dbraw/zinc/01/33/07/343013307.db2.gz MEULDBLUXYRLCE-UHFFFAOYSA-N 2 2 189.262 1.694 50 0 in-vitro ADAALP Cc1ccc2c(c1)[nH+]c(CC[NH3+])n2C 11567875 343022616 /nfs/dbraw/zinc/02/26/16/343022616.db2.gz FXMDYAUMFAPUCR-UHFFFAOYSA-N 2 2 189.262 1.383 50 0 in-vitro ADAALP Cc1cc2[nH]c(CC[NH3+])[nH+]c2cc1C 13483543 343035189 /nfs/dbraw/zinc/03/51/89/343035189.db2.gz WEGNZFPNBDRSSR-UHFFFAOYSA-N 2 2 189.262 1.681 50 0 ADAALP C[NH+](C)[C@H](C[NH3+])c1cccc(Cl)c1 19201723 343052035 /nfs/dbraw/zinc/05/20/35/343052035.db2.gz MSSOZCIZQIKCDH-SNVBAGLBSA-N 2 2 198.697 1.901 50 0 in-vitro ADAALP C[NH+](C)[C@@H](C[NH3+])c1cccc(Cl)c1 19201721 343052111 /nfs/dbraw/zinc/05/21/11/343052111.db2.gz MSSOZCIZQIKCDH-JTQLQIEISA-N 2 2 198.697 1.901 50 0 in-vitro ADAALP CCCC[N@@H+]1CCC[NH2+]CC1 19260558 343052439 /nfs/dbraw/zinc/05/24/39/343052439.db2.gz GPWLJZCPRQGUMM-UHFFFAOYSA-N 2 2 156.273 1.082 50 0 ADAALP CCCC[N@H+]1CCC[NH2+]CC1 19260558 343052441 /nfs/dbraw/zinc/05/24/41/343052441.db2.gz GPWLJZCPRQGUMM-UHFFFAOYSA-N 2 2 156.273 1.082 50 0 ADAALP C[C@H](C[NH3+])[N@H+](C)Cc1ccccc1 19281489 343052836 /nfs/dbraw/zinc/05/28/36/343052836.db2.gz LSPPTXRFKXECFR-SNVBAGLBSA-N 2 2 178.279 1.466 50 0 in-vitro ADAALP C[C@H](C[NH3+])[N@@H+](C)Cc1ccccc1 19281489 343052839 /nfs/dbraw/zinc/05/28/39/343052839.db2.gz LSPPTXRFKXECFR-SNVBAGLBSA-N 2 2 178.279 1.466 50 0 in-vitro ADAALP C[NH+](C)[C@@H](C[NH3+])c1ccccc1 19366115 343053196 /nfs/dbraw/zinc/05/31/96/343053196.db2.gz NFSAPTWLWWYADB-JTQLQIEISA-N 2 2 164.252 1.248 50 0 in-vitro ADAALP CCC[NH2+]CC[NH+](CC)CC 19365596 343053487 /nfs/dbraw/zinc/05/34/87/343053487.db2.gz WIJFXKFYVBYDTA-UHFFFAOYSA-N 2 2 158.289 1.328 50 0 ADAALP C[NH+](C)[C@H](C[NH3+])c1ccccc1 19369368 343053574 /nfs/dbraw/zinc/05/35/74/343053574.db2.gz NFSAPTWLWWYADB-SNVBAGLBSA-N 2 2 164.252 1.248 50 0 in-vitro ADAALP C[NH+](C)CC[NH2+]C1CCCCC1 19406714 343054623 /nfs/dbraw/zinc/05/46/23/343054623.db2.gz YIQANRYYROXQJY-UHFFFAOYSA-N 2 2 170.300 1.470 50 0 in-vitro ADAALP C[NH+](C)CC[NH2+]C1CCCC1 19702467 343058505 /nfs/dbraw/zinc/05/85/05/343058505.db2.gz MXTNPQHZAUREOU-UHFFFAOYSA-N 2 2 156.273 1.080 50 0 in-vitro ADAALP Cc1ccc(CC2CC[NH2+]CC2)[nH+]c1 19686798 343058592 /nfs/dbraw/zinc/05/85/92/343058592.db2.gz LIHGVXGKBREZMV-UHFFFAOYSA-N 2 2 190.290 1.932 50 0 ADAALP Cc1ccc([C@H](C[NH3+])[NH+](C)C)cc1 19735750 343059465 /nfs/dbraw/zinc/05/94/65/343059465.db2.gz BBSADQGXHDVVCU-NSHDSACASA-N 2 2 178.279 1.556 50 0 in-vitro ADAALP C[NH+](C)[C@@H](C[NH3+])c1cccc(F)c1 19735772 343059468 /nfs/dbraw/zinc/05/94/68/343059468.db2.gz JDBOOJQLAVTZQE-JTQLQIEISA-N 2 2 182.242 1.387 50 0 in-vitro ADAALP C[NH+](C)[C@H](C[NH3+])c1cccc(F)c1 19735773 343059505 /nfs/dbraw/zinc/05/95/05/343059505.db2.gz JDBOOJQLAVTZQE-SNVBAGLBSA-N 2 2 182.242 1.387 50 0 in-vitro ADAALP Cc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1 19735751 343059593 /nfs/dbraw/zinc/05/95/93/343059593.db2.gz BBSADQGXHDVVCU-LLVKDONJSA-N 2 2 178.279 1.556 50 0 in-vitro ADAALP Cc1cccc2[nH+]c(CCC[NH3+])[nH]c12 19737049 343059816 /nfs/dbraw/zinc/05/98/16/343059816.db2.gz PIKFDVSAENEGKS-UHFFFAOYSA-N 2 2 189.262 1.763 50 0 ADAALP CC(C)[NH2+]CC[N@@H+]1CCCC[C@H]1C 19737136 343059915 /nfs/dbraw/zinc/05/99/15/343059915.db2.gz OBBQYZWMTSSZBI-LLVKDONJSA-N 2 2 184.327 1.859 50 0 ADAALP CC(C)[NH2+]CC[N@H+]1CCCC[C@H]1C 19737136 343059917 /nfs/dbraw/zinc/05/99/17/343059917.db2.gz OBBQYZWMTSSZBI-LLVKDONJSA-N 2 2 184.327 1.859 50 0 ADAALP Cc1ccn2c(CC[NH3+])c[nH+]c2c1 19737030 343059966 /nfs/dbraw/zinc/05/99/66/343059966.db2.gz NHRRUJYZVFEKRA-UHFFFAOYSA-N 2 2 175.235 1.144 50 0 ADAALP Cc1ccc2[nH+]cc(C[NH3+])n2c1 19767715 343060017 /nfs/dbraw/zinc/06/00/17/343060017.db2.gz CUHMZCGKUIOMAO-UHFFFAOYSA-N 2 2 161.208 1.101 50 0 ADAALP Cc1cccc([C@H](C[NH3+])[NH+](C)C)c1 19795984 343060355 /nfs/dbraw/zinc/06/03/55/343060355.db2.gz WKDGNJWVKPLJCV-NSHDSACASA-N 2 2 178.279 1.556 50 0 ADAALP CCc1ccc([C@H](C[NH3+])[NH+](C)C)cc1 19796017 343060383 /nfs/dbraw/zinc/06/03/83/343060383.db2.gz YDUYAUXCQVPGKS-LBPRGKRZSA-N 2 2 192.306 1.810 50 0 in-vitro ADAALP CCc1ccc([C@@H](C[NH3+])[NH+](C)C)cc1 19796016 343060392 /nfs/dbraw/zinc/06/03/92/343060392.db2.gz YDUYAUXCQVPGKS-GFCCVEGCSA-N 2 2 192.306 1.810 50 0 in-vitro ADAALP Cc1cccc([C@@H](C[NH3+])[NH+](C)C)c1 19795987 343060431 /nfs/dbraw/zinc/06/04/31/343060431.db2.gz WKDGNJWVKPLJCV-LLVKDONJSA-N 2 2 178.279 1.556 50 0 ADAALP C[C@H]([NH3+])C[N@@H+]1CCc2ccccc2C1 19852384 343062657 /nfs/dbraw/zinc/06/26/57/343062657.db2.gz KUENUWACNZYNKC-JTQLQIEISA-N 2 2 190.290 1.392 50 0 in-vitro ADAALP C[C@H]([NH3+])C[N@H+]1CCc2ccccc2C1 19852384 343062659 /nfs/dbraw/zinc/06/26/59/343062659.db2.gz KUENUWACNZYNKC-JTQLQIEISA-N 2 2 190.290 1.392 50 0 in-vitro ADAALP Cc1[nH+]ccn1-c1ccc(N)[nH+]c1 19868845 343062705 /nfs/dbraw/zinc/06/27/05/343062705.db2.gz RPVDQJLVXGKUOE-UHFFFAOYSA-N 2 2 174.207 1.158 50 0 ADAALP CCC[NH+](CCC)C[C@H]1CCC[NH2+]1 20072220 343066851 /nfs/dbraw/zinc/06/68/51/343066851.db2.gz PWXONSQOSLTEJI-LLVKDONJSA-N 2 2 184.327 1.860 50 0 ADAALP CCC[NH2+]CC[NH+]1CCCC1 20126968 343067691 /nfs/dbraw/zinc/06/76/91/343067691.db2.gz ITEWBASAHQBZBQ-UHFFFAOYSA-N 2 2 156.273 1.082 50 0 in-vitro ADAALP Cc1[nH+]c(C[NH3+])c2ccccn12 20222743 343069911 /nfs/dbraw/zinc/06/99/11/343069911.db2.gz WODJFFZXEUOKPC-UHFFFAOYSA-N 2 2 161.208 1.101 50 0 ADAALP CCc1[nH+]c2ccccc2n1CC[NH3+] 20223145 343070029 /nfs/dbraw/zinc/07/00/29/343070029.db2.gz JXHFUIWSTBPPFG-UHFFFAOYSA-N 2 2 189.262 1.557 50 0 in-vitro ADAALP Cc1[nH+]ccn1-c1cc[nH+]cc1N 20370485 343072395 /nfs/dbraw/zinc/07/23/95/343072395.db2.gz YXUWIKLEKQXBAW-UHFFFAOYSA-N 2 2 174.207 1.158 50 0 in-vitro ADAALP C[NH+](C)CC[NH2+]CC1CCCCC1 20477651 343073994 /nfs/dbraw/zinc/07/39/94/343073994.db2.gz AZIAAHIRDOVXFB-UHFFFAOYSA-N 2 2 184.327 1.718 50 0 in-vitro ADAALP C[C@@H]1[NH2+]C(C)(C)[C@H](C)[NH2+]C1(C)C 22239183 343081065 /nfs/dbraw/zinc/08/10/65/343081065.db2.gz YQEWJOZJNGZCIT-YUMQZZPRSA-N 2 2 170.300 1.513 50 0 ADAALP Cc1ccc([C@@H](C[NH3+])[NH+]2CCCC2)o1 22223182 343081074 /nfs/dbraw/zinc/08/10/74/343081074.db2.gz ZYSRLRPCZLJNIW-SNVBAGLBSA-N 2 2 194.278 1.684 50 0 in-vitro ADAALP Cc1ccc([C@H](C[NH3+])[NH+]2CCCC2)o1 22223184 343081229 /nfs/dbraw/zinc/08/12/29/343081229.db2.gz ZYSRLRPCZLJNIW-JTQLQIEISA-N 2 2 194.278 1.684 50 0 in-vitro ADAALP C[C@H]1[NH2+]C(C)(C)[C@@H](C)[NH2+]C1(C)C 22239182 343081425 /nfs/dbraw/zinc/08/14/25/343081425.db2.gz YQEWJOZJNGZCIT-HTQZYQBOSA-N 2 2 170.300 1.513 50 0 ADAALP C[N@@H+]1Cc2ccccc2C[C@@H]1C[NH3+] 23093521 343083254 /nfs/dbraw/zinc/08/32/54/343083254.db2.gz ABHNZPJDOXSKGF-LLVKDONJSA-N 2 2 176.263 1.002 50 0 ADAALP C[N@H+]1Cc2ccccc2C[C@@H]1C[NH3+] 23093521 343083255 /nfs/dbraw/zinc/08/32/55/343083255.db2.gz ABHNZPJDOXSKGF-LLVKDONJSA-N 2 2 176.263 1.002 50 0 ADAALP C[N@@H+]1Cc2ccccc2C[C@H]1C[NH3+] 23093522 343083271 /nfs/dbraw/zinc/08/32/71/343083271.db2.gz ABHNZPJDOXSKGF-NSHDSACASA-N 2 2 176.263 1.002 50 0 ADAALP C[N@H+]1Cc2ccccc2C[C@H]1C[NH3+] 23093522 343083273 /nfs/dbraw/zinc/08/32/73/343083273.db2.gz ABHNZPJDOXSKGF-NSHDSACASA-N 2 2 176.263 1.002 50 0 ADAALP Cc1ccsc1[C@H](C[NH3+])[NH+](C)C 23094153 343083468 /nfs/dbraw/zinc/08/34/68/343083468.db2.gz XSHCJTMLKPDFJK-QMMMGPOBSA-N 2 2 184.308 1.618 50 0 in-vitro ADAALP C[N@H+](CC[NH3+])CCc1ccccc1 23093796 343083647 /nfs/dbraw/zinc/08/36/47/343083647.db2.gz QNEUMPZMEXPLOM-UHFFFAOYSA-N 2 2 178.279 1.120 50 0 in-vitro ADAALP C[N@H+]1C[C@H](c2ccccc2)[C@@H]([NH3+])C1 23508877 343084042 /nfs/dbraw/zinc/08/40/42/343084042.db2.gz MDGLWUXAHGNWDO-MNOVXSKESA-N 2 2 176.263 1.043 50 0 in-vitro ADAALP C[N@@H+]1C[C@H](c2ccccc2)[C@@H]([NH3+])C1 23508877 343084045 /nfs/dbraw/zinc/08/40/45/343084045.db2.gz MDGLWUXAHGNWDO-MNOVXSKESA-N 2 2 176.263 1.043 50 0 in-vitro ADAALP C[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 23508875 343084069 /nfs/dbraw/zinc/08/40/69/343084069.db2.gz MDGLWUXAHGNWDO-GHMZBOCLSA-N 2 2 176.263 1.043 50 0 in-vitro ADAALP C[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 23508875 343084070 /nfs/dbraw/zinc/08/40/70/343084070.db2.gz MDGLWUXAHGNWDO-GHMZBOCLSA-N 2 2 176.263 1.043 50 0 in-vitro ADAALP CC(C)c1[nH]c(CC[NH3+])c[nH+]1 29415762 343092347 /nfs/dbraw/zinc/09/23/47/343092347.db2.gz VVACTURLJWWFGU-UHFFFAOYSA-N 2 2 153.229 1.034 50 0 ADAALP CC(C)c1[nH]cc(CC[NH3+])[nH+]1 29415762 343092348 /nfs/dbraw/zinc/09/23/48/343092348.db2.gz VVACTURLJWWFGU-UHFFFAOYSA-N 2 2 153.229 1.034 50 0 ADAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C1 31996499 343095136 /nfs/dbraw/zinc/09/51/36/343095136.db2.gz UPDDLDNYCOENHW-PWSUYJOCSA-N 2 2 190.290 1.781 50 0 in-vitro ADAALP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])C1 31996499 343095137 /nfs/dbraw/zinc/09/51/37/343095137.db2.gz UPDDLDNYCOENHW-PWSUYJOCSA-N 2 2 190.290 1.781 50 0 in-vitro ADAALP CC[C@H](C)[N@H+](CC[NH3+])Cc1ccco1 32009410 343097264 /nfs/dbraw/zinc/09/72/64/343097264.db2.gz SKFNHAMUGJBSLL-JTQLQIEISA-N 2 2 196.294 1.839 50 0 ADAALP CC[C@H](C)[N@@H+](CC[NH3+])Cc1ccco1 32009410 343097266 /nfs/dbraw/zinc/09/72/66/343097266.db2.gz SKFNHAMUGJBSLL-JTQLQIEISA-N 2 2 196.294 1.839 50 0 ADAALP C[NH+](C)[C@@H](C[NH3+])c1ccc(F)cc1 32497013 343102234 /nfs/dbraw/zinc/10/22/34/343102234.db2.gz UUQFFOAUNDPGNS-JTQLQIEISA-N 2 2 182.242 1.387 50 0 in-vitro ADAALP C[NH+](C)[C@H](C[NH3+])c1ccc(F)cc1 32497014 343102268 /nfs/dbraw/zinc/10/22/68/343102268.db2.gz UUQFFOAUNDPGNS-SNVBAGLBSA-N 2 2 182.242 1.387 50 0 in-vitro ADAALP CC1CC[NH+](CC[NH2+]C(C)C)CC1 32445500 343102406 /nfs/dbraw/zinc/10/24/06/343102406.db2.gz HVMOOSAFNSNUMQ-UHFFFAOYSA-N 2 2 184.327 1.716 50 0 in-vitro ADAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] 34249687 343114660 /nfs/dbraw/zinc/11/46/60/343114660.db2.gz NFZIZQCPMPUVFT-JQWIXIFHSA-N 2 2 190.290 1.466 50 0 ADAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] 34249687 343114662 /nfs/dbraw/zinc/11/46/62/343114662.db2.gz NFZIZQCPMPUVFT-JQWIXIFHSA-N 2 2 190.290 1.466 50 0 ADAALP C[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+]C1 34376321 343117655 /nfs/dbraw/zinc/11/76/55/343117655.db2.gz YYCPQEKHXOHJNG-GFCCVEGCSA-N 2 2 190.290 1.480 50 0 in-vitro ADAALP C[N@H+](Cc1ccccc1)[C@H]1CC[NH2+]C1 34376323 343117727 /nfs/dbraw/zinc/11/77/27/343117727.db2.gz YYCPQEKHXOHJNG-LBPRGKRZSA-N 2 2 190.290 1.480 50 0 in-vitro ADAALP C[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+]C1 34376323 343117730 /nfs/dbraw/zinc/11/77/30/343117730.db2.gz YYCPQEKHXOHJNG-LBPRGKRZSA-N 2 2 190.290 1.480 50 0 in-vitro ADAALP Cc1ccc([C@H]([NH3+])C[NH3+])c(C)c1 35677060 343136766 /nfs/dbraw/zinc/13/67/66/343136766.db2.gz SNWQYHLWTPSPAH-SNVBAGLBSA-N 2 2 164.252 1.262 50 0 ADAALP Cc1ccc([C@@H]([NH3+])C[NH3+])c(C)c1 35677061 343136868 /nfs/dbraw/zinc/13/68/68/343136868.db2.gz SNWQYHLWTPSPAH-JTQLQIEISA-N 2 2 164.252 1.262 50 0 ADAALP C[C@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccc1 36438369 343145740 /nfs/dbraw/zinc/14/57/40/343145740.db2.gz GEZSNOKHPRRTIC-JQWIXIFHSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccc1 36438369 343145742 /nfs/dbraw/zinc/14/57/42/343145742.db2.gz GEZSNOKHPRRTIC-JQWIXIFHSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP CCC[NH+](CCC)[C@H]1CCC[NH2+]C1 37246871 343164299 /nfs/dbraw/zinc/16/42/99/343164299.db2.gz ZPJMUXVGKPAFGO-NSHDSACASA-N 2 2 184.327 1.860 50 0 ADAALP CCC[NH+](CCC)[C@@H]1CCC[NH2+]C1 37246869 343164381 /nfs/dbraw/zinc/16/43/81/343164381.db2.gz ZPJMUXVGKPAFGO-LLVKDONJSA-N 2 2 184.327 1.860 50 0 ADAALP C[N@@H+]1C[C@@H]([NH3+])[C@H](c2ccccc2)C1 37647414 343172803 /nfs/dbraw/zinc/17/28/03/343172803.db2.gz MDGLWUXAHGNWDO-WDEREUQCSA-N 2 2 176.263 1.043 50 0 in-vitro ADAALP C[N@H+]1C[C@@H]([NH3+])[C@H](c2ccccc2)C1 37647414 343172806 /nfs/dbraw/zinc/17/28/06/343172806.db2.gz MDGLWUXAHGNWDO-WDEREUQCSA-N 2 2 176.263 1.043 50 0 in-vitro ADAALP Cc1cccc(C[N@H+]2CC[C@@H]([NH3+])C2)c1 38538815 343188861 /nfs/dbraw/zinc/18/88/61/343188861.db2.gz BEHYEDRAAKQLCM-GFCCVEGCSA-N 2 2 190.290 1.528 50 0 ADAALP Cc1cccc(C[N@@H+]2CC[C@H]([NH3+])C2)c1 38538819 343188905 /nfs/dbraw/zinc/18/89/05/343188905.db2.gz BEHYEDRAAKQLCM-LBPRGKRZSA-N 2 2 190.290 1.528 50 0 ADAALP Cc1cccc(C[N@H+]2CC[C@H]([NH3+])C2)c1 38538819 343188907 /nfs/dbraw/zinc/18/89/07/343188907.db2.gz BEHYEDRAAKQLCM-LBPRGKRZSA-N 2 2 190.290 1.528 50 0 ADAALP C[C@@]1([NH3+])CC[N@H+](Cc2ccccc2)C1 38531692 343188951 /nfs/dbraw/zinc/18/89/51/343188951.db2.gz GMZNKWUBDUKXRX-GFCCVEGCSA-N 2 2 190.290 1.610 50 0 in-vitro ADAALP C[C@@]1([NH3+])CC[N@@H+](Cc2ccccc2)C1 38531692 343188953 /nfs/dbraw/zinc/18/89/53/343188953.db2.gz GMZNKWUBDUKXRX-GFCCVEGCSA-N 2 2 190.290 1.610 50 0 in-vitro ADAALP C[C@]1([NH3+])CC[N@H+](Cc2ccccc2)C1 38531691 343189075 /nfs/dbraw/zinc/18/90/75/343189075.db2.gz GMZNKWUBDUKXRX-LBPRGKRZSA-N 2 2 190.290 1.610 50 0 in-vitro ADAALP C[C@]1([NH3+])CC[N@@H+](Cc2ccccc2)C1 38531691 343189076 /nfs/dbraw/zinc/18/90/76/343189076.db2.gz GMZNKWUBDUKXRX-LBPRGKRZSA-N 2 2 190.290 1.610 50 0 in-vitro ADAALP CC(C)[N@H+](CC[NH3+])Cc1ccccc1 38916556 343192376 /nfs/dbraw/zinc/19/23/76/343192376.db2.gz JHXBPQUKAFQZCE-UHFFFAOYSA-N 2 2 192.306 1.856 50 0 ADAALP CC(C)[N@@H+](CC[NH3+])Cc1ccccc1 38916556 343192378 /nfs/dbraw/zinc/19/23/78/343192378.db2.gz JHXBPQUKAFQZCE-UHFFFAOYSA-N 2 2 192.306 1.856 50 0 ADAALP CCC[NH+](CCC)C[C@@H]1CCC[NH2+]1 39141040 343204833 /nfs/dbraw/zinc/20/48/33/343204833.db2.gz PWXONSQOSLTEJI-NSHDSACASA-N 2 2 184.327 1.860 50 0 ADAALP C[NH+](C)C[C@@H]1CCCCC[NH2+]1 39706303 343214061 /nfs/dbraw/zinc/21/40/61/343214061.db2.gz SXPLKYJNIUXKEX-VIFPVBQESA-N 2 2 156.273 1.080 50 0 ADAALP C[NH+](C)C[C@H]1CCCCC[NH2+]1 39706304 343214202 /nfs/dbraw/zinc/21/42/02/343214202.db2.gz SXPLKYJNIUXKEX-SECBINFHSA-N 2 2 156.273 1.080 50 0 ADAALP CC(C)[C@H]1C[N@@H+]2CCC[C@H]2C[NH2+]1 39957298 343214332 /nfs/dbraw/zinc/21/43/32/343214332.db2.gz YPMDREPFLIKFTB-VHSXEESVSA-N 2 2 168.284 1.079 50 0 ADAALP CC(C)[C@H]1C[N@H+]2CCC[C@H]2C[NH2+]1 39957298 343214333 /nfs/dbraw/zinc/21/43/33/343214333.db2.gz YPMDREPFLIKFTB-VHSXEESVSA-N 2 2 168.284 1.079 50 0 ADAALP C[C@H]1CCCC[N@@H+]1CC(C)(C)[NH3+] 39958223 343215002 /nfs/dbraw/zinc/21/50/02/343215002.db2.gz FRAJFMOTJCQVOA-VIFPVBQESA-N 2 2 170.300 1.598 50 0 in-vitro ADAALP C[C@H]1CCCC[N@H+]1CC(C)(C)[NH3+] 39958223 343215004 /nfs/dbraw/zinc/21/50/04/343215004.db2.gz FRAJFMOTJCQVOA-VIFPVBQESA-N 2 2 170.300 1.598 50 0 in-vitro ADAALP C[C@H](c1ccccc1)[C@@H]([NH3+])C[NH3+] 40240815 343216113 /nfs/dbraw/zinc/21/61/13/343216113.db2.gz FXLVGPWSHAUWFU-SCZZXKLOSA-N 2 2 164.252 1.076 50 0 ADAALP C[C@H](c1ccccc1)[C@H]([NH3+])C[NH3+] 40240813 343216170 /nfs/dbraw/zinc/21/61/70/343216170.db2.gz FXLVGPWSHAUWFU-PSASIEDQSA-N 2 2 164.252 1.076 50 0 ADAALP CC(C)(C)C[NH2+]CCn1cc[nH+]c1 41051489 343228138 /nfs/dbraw/zinc/22/81/38/343228138.db2.gz FOOKYNGFAQKZNE-UHFFFAOYSA-N 2 2 181.283 1.519 50 0 ADAALP CCC[NH2+]CC[NH+]1CCCCC1 41168362 343230883 /nfs/dbraw/zinc/23/08/83/343230883.db2.gz VHJMUTQHXFNNDP-UHFFFAOYSA-N 2 2 170.300 1.472 50 0 in-vitro ADAALP C[NH2+]CCC[N@H+](C)Cc1ccncc1 42409629 343241916 /nfs/dbraw/zinc/24/19/16/343241916.db2.gz DWRMDPQYOAPXAO-UHFFFAOYSA-N 2 2 193.294 1.123 50 0 in-vitro ADAALP C[NH2+]CCC[N@@H+](C)Cc1ccncc1 42409629 343241919 /nfs/dbraw/zinc/24/19/19/343241919.db2.gz DWRMDPQYOAPXAO-UHFFFAOYSA-N 2 2 193.294 1.123 50 0 in-vitro ADAALP C[C@H]([NH3+])[C@H](c1ccccc1)[NH+](C)C 42900859 343249996 /nfs/dbraw/zinc/24/99/96/343249996.db2.gz LMTBPLOIFJDYEV-GXSJLCMTSA-N 2 2 178.279 1.637 50 0 in-vitro ADAALP Cc1c[nH+]ccc1CCC[NH3+] 44280134 343263235 /nfs/dbraw/zinc/26/32/35/343263235.db2.gz LQARVRGPLPRMOX-UHFFFAOYSA-N 2 2 150.225 1.281 50 0 ADAALP Cc1[nH]c2cc(C[NH3+])ccc2[nH+]1 45238558 343272096 /nfs/dbraw/zinc/27/20/96/343272096.db2.gz XFMATJBLGFMLBT-UHFFFAOYSA-N 2 2 161.208 1.330 50 0 in-vitro ADAALP Cc1[nH]c2ccc(C[NH3+])cc2[nH+]1 45238558 343272098 /nfs/dbraw/zinc/27/20/98/343272098.db2.gz XFMATJBLGFMLBT-UHFFFAOYSA-N 2 2 161.208 1.330 50 0 in-vitro ADAALP C[C@H]1C[NH2+]CC[N@@H+](C2CCC2)C1 52213797 343302302 /nfs/dbraw/zinc/30/23/02/343302302.db2.gz NWDAHVJVGDJIDT-VIFPVBQESA-N 2 2 168.284 1.080 50 0 in-vitro ADAALP C[C@H]1C[NH2+]CC[N@H+](C2CCC2)C1 52213797 343302303 /nfs/dbraw/zinc/30/23/03/343302303.db2.gz NWDAHVJVGDJIDT-VIFPVBQESA-N 2 2 168.284 1.080 50 0 in-vitro ADAALP Cc1[nH+]c2ccccc2n1C1C[NH2+]C1 54931651 343331536 /nfs/dbraw/zinc/33/15/36/343331536.db2.gz MIAZPBCJEOWQOF-UHFFFAOYSA-N 2 2 187.246 1.489 50 0 ADAALP Cc1[nH+]c2cc(C[NH3+])ccc2n1C 54956992 343332145 /nfs/dbraw/zinc/33/21/45/343332145.db2.gz WGRMSEJGFWVFQW-UHFFFAOYSA-N 2 2 175.235 1.340 50 0 ADAALP C[NH2+]C(C)(C)C[NH+]1CCCCCC1 61319431 343356086 /nfs/dbraw/zinc/35/60/86/343356086.db2.gz VRKKOEKYAORJII-UHFFFAOYSA-N 2 2 184.327 1.860 50 0 in-vitro ADAALP Cc1ccc(C2CC[NH2+]CC2)c[nH+]1 62948451 343386991 /nfs/dbraw/zinc/38/69/91/343386991.db2.gz SJBKQLWBVLXJGL-UHFFFAOYSA-N 2 2 176.263 1.857 50 0 in-vitro ADAALP CCc1ccn2cc(CC[NH3+])[nH+]c2c1 64038060 343407239 /nfs/dbraw/zinc/40/72/39/343407239.db2.gz XOOSJXQQWXIRIC-UHFFFAOYSA-N 2 2 189.262 1.398 50 0 in-vitro ADAALP CCn1cc[nH+]c1C1CC[NH2+]CC1 69031738 343423535 /nfs/dbraw/zinc/42/35/35/343423535.db2.gz BQKVEUZIEIMRML-UHFFFAOYSA-N 2 2 179.267 1.370 50 0 ADAALP C[N@@H+]1CC[C@H]([NH3+])[C@@H]1c1ccccc1 69798869 343442833 /nfs/dbraw/zinc/44/28/33/343442833.db2.gz DLENRPOBIBOYGR-QWRGUYRKSA-N 2 2 176.263 1.391 50 0 in-vitro ADAALP C[N@H+]1CC[C@H]([NH3+])[C@@H]1c1ccccc1 69798869 343442835 /nfs/dbraw/zinc/44/28/35/343442835.db2.gz DLENRPOBIBOYGR-QWRGUYRKSA-N 2 2 176.263 1.391 50 0 in-vitro ADAALP C[N@@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccccc1 69798871 343442899 /nfs/dbraw/zinc/44/28/99/343442899.db2.gz DLENRPOBIBOYGR-MNOVXSKESA-N 2 2 176.263 1.391 50 0 in-vitro ADAALP C[N@H+]1CC[C@@H]([NH3+])[C@@H]1c1ccccc1 69798871 343442902 /nfs/dbraw/zinc/44/29/02/343442902.db2.gz DLENRPOBIBOYGR-MNOVXSKESA-N 2 2 176.263 1.391 50 0 in-vitro ADAALP Cc1c[nH+]ccc1-n1cc[nH+]c1 70048278 343470272 /nfs/dbraw/zinc/47/02/72/343470272.db2.gz WFQSOHCSXCHFHH-UHFFFAOYSA-N 2 2 159.192 1.576 50 0 ADAALP Cc1ccc(CCC[NH3+])c[nH+]1 70636179 343511871 /nfs/dbraw/zinc/51/18/71/343511871.db2.gz RXCPNSZZTUSKGE-UHFFFAOYSA-N 2 2 150.225 1.281 50 0 in-vitro ADAALP Cc1ccc(NCc2[nH]cc[nH+]2)[nH+]c1 70646541 343517589 /nfs/dbraw/zinc/51/75/89/343517589.db2.gz VKNRNDZYOYIHDZ-UHFFFAOYSA-N 2 2 188.234 1.725 50 0 ADAALP C[C@H]([NH3+])c1cccc(-n2cc[nH+]c2)c1 71790721 343558842 /nfs/dbraw/zinc/55/88/42/343558842.db2.gz IXPMKBMVQBDDBE-VIFPVBQESA-N 2 2 187.246 1.892 50 0 in-vitro ADAALP CC[C@H](C)[C@H]1C[N@@H+]2CCC[C@@H]2C[NH2+]1 72233259 343567295 /nfs/dbraw/zinc/56/72/95/343567295.db2.gz JMQDRGNCGUJLPY-HBNTYKKESA-N 2 2 182.311 1.469 50 0 ADAALP CC[C@H](C)[C@H]1C[N@H+]2CCC[C@@H]2C[NH2+]1 72233259 343567297 /nfs/dbraw/zinc/56/72/97/343567297.db2.gz JMQDRGNCGUJLPY-HBNTYKKESA-N 2 2 182.311 1.469 50 0 ADAALP CCCC[C@H]1C[N@@H+]2CCC[C@H]2C[NH2+]1 72233262 343567428 /nfs/dbraw/zinc/56/74/28/343567428.db2.gz FEWXJUHZVREJTN-QWRGUYRKSA-N 2 2 182.311 1.613 50 0 ADAALP CCCC[C@H]1C[N@H+]2CCC[C@H]2C[NH2+]1 72233262 343567430 /nfs/dbraw/zinc/56/74/30/343567430.db2.gz FEWXJUHZVREJTN-QWRGUYRKSA-N 2 2 182.311 1.613 50 0 ADAALP CC[C@H](C)[C@H]1C[N@@H+]2CCC[C@H]2C[NH2+]1 72233260 343567624 /nfs/dbraw/zinc/56/76/24/343567624.db2.gz JMQDRGNCGUJLPY-GARJFASQSA-N 2 2 182.311 1.469 50 0 ADAALP CC[C@H](C)[C@H]1C[N@H+]2CCC[C@H]2C[NH2+]1 72233260 343567626 /nfs/dbraw/zinc/56/76/26/343567626.db2.gz JMQDRGNCGUJLPY-GARJFASQSA-N 2 2 182.311 1.469 50 0 ADAALP CCCC[C@H]1C[N@@H+]2CCC[C@@H]2C[NH2+]1 72233261 343567639 /nfs/dbraw/zinc/56/76/39/343567639.db2.gz FEWXJUHZVREJTN-WDEREUQCSA-N 2 2 182.311 1.613 50 0 ADAALP CCCC[C@H]1C[N@H+]2CCC[C@@H]2C[NH2+]1 72233261 343567640 /nfs/dbraw/zinc/56/76/40/343567640.db2.gz FEWXJUHZVREJTN-WDEREUQCSA-N 2 2 182.311 1.613 50 0 ADAALP CC(C)[C@H]1C[N@@H+]2CCC[C@@H]2C[NH2+]1 74332670 343572090 /nfs/dbraw/zinc/57/20/90/343572090.db2.gz YPMDREPFLIKFTB-NXEZZACHSA-N 2 2 168.284 1.079 50 0 ADAALP CC(C)[C@H]1C[N@H+]2CCC[C@@H]2C[NH2+]1 74332670 343572091 /nfs/dbraw/zinc/57/20/91/343572091.db2.gz YPMDREPFLIKFTB-NXEZZACHSA-N 2 2 168.284 1.079 50 0 ADAALP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1 74941831 343574716 /nfs/dbraw/zinc/57/47/16/343574716.db2.gz GEZSNOKHPRRTIC-CMPLNLGQSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccccc1 74941831 343574719 /nfs/dbraw/zinc/57/47/19/343574719.db2.gz GEZSNOKHPRRTIC-CMPLNLGQSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@H]1CC[NH2+]C[C@H]1n1cc[nH+]c1 75772067 343578163 /nfs/dbraw/zinc/57/81/63/343578163.db2.gz SAKIRPGKBFEANV-DTWKUNHWSA-N 2 2 165.240 1.054 50 0 in-vitro ADAALP C[C@H]1CC[NH2+]C[C@@H]1n1cc[nH+]c1 75772063 343578287 /nfs/dbraw/zinc/57/82/87/343578287.db2.gz SAKIRPGKBFEANV-IUCAKERBSA-N 2 2 165.240 1.054 50 0 in-vitro ADAALP CC(C)n1cc[nH+]c1[C@@H]1CCC[NH2+]C1 75869776 343578558 /nfs/dbraw/zinc/57/85/58/343578558.db2.gz HHBUCZLQBLZHJJ-SNVBAGLBSA-N 2 2 193.294 1.931 50 0 ADAALP CC(C)n1cc[nH+]c1[C@H]1CCC[NH2+]C1 75869777 343578591 /nfs/dbraw/zinc/57/85/91/343578591.db2.gz HHBUCZLQBLZHJJ-JTQLQIEISA-N 2 2 193.294 1.931 50 0 ADAALP CCn1cc[nH+]c1[C@H]1CCC[NH2+]C1 75869743 343578719 /nfs/dbraw/zinc/57/87/19/343578719.db2.gz NVCUOTKAVBSDHA-VIFPVBQESA-N 2 2 179.267 1.370 50 0 ADAALP CCn1cc[nH+]c1[C@@H]1CCC[NH2+]C1 75869742 343579028 /nfs/dbraw/zinc/57/90/28/343579028.db2.gz NVCUOTKAVBSDHA-SECBINFHSA-N 2 2 179.267 1.370 50 0 ADAALP Cc1[nH]c[nH+]c1C1CC[NH2+]CC1 76818255 343580132 /nfs/dbraw/zinc/58/01/32/343580132.db2.gz OAAFGNFILDPKMU-UHFFFAOYSA-N 2 2 165.240 1.185 50 0 ADAALP CC(C)[C@@H]1C[N@@H+]2CCC[C@@H]2C[NH2+]1 77263105 343580794 /nfs/dbraw/zinc/58/07/94/343580794.db2.gz YPMDREPFLIKFTB-ZJUUUORDSA-N 2 2 168.284 1.079 50 0 ADAALP CC(C)[C@@H]1C[N@H+]2CCC[C@@H]2C[NH2+]1 77263105 343580798 /nfs/dbraw/zinc/58/07/98/343580798.db2.gz YPMDREPFLIKFTB-ZJUUUORDSA-N 2 2 168.284 1.079 50 0 ADAALP Cc1cn2c([nH+]1)[C@H](C[NH3+])CCC2 82160261 343595329 /nfs/dbraw/zinc/59/53/29/343595329.db2.gz FPUGAZVPMGBIRK-QMMMGPOBSA-N 2 2 165.240 1.028 50 0 ADAALP Cc1cn2c([nH+]1)[C@@H](C[NH3+])CCC2 82160263 343595374 /nfs/dbraw/zinc/59/53/74/343595374.db2.gz FPUGAZVPMGBIRK-MRVPVSSYSA-N 2 2 165.240 1.028 50 0 ADAALP CC[C@H](C)[NH2+][C@@H](C[NH3+])c1ccco1 83760945 343624022 /nfs/dbraw/zinc/62/40/22/343624022.db2.gz PPVANSNFHRGNHM-IUCAKERBSA-N 2 2 182.267 1.668 50 0 in-vitro ADAALP CC[C@H](C)[NH2+][C@H](C[NH3+])c1ccco1 83760951 343624182 /nfs/dbraw/zinc/62/41/82/343624182.db2.gz PPVANSNFHRGNHM-DTWKUNHWSA-N 2 2 182.267 1.668 50 0 in-vitro ADAALP C[NH+](C)C[C@H]([NH3+])Cc1ccccc1 95079700 343679460 /nfs/dbraw/zinc/67/94/60/343679460.db2.gz HKHSRJNAQHRMGT-LLVKDONJSA-N 2 2 178.279 1.118 50 0 ADAALP C[N@H+](CC[NH3+])Cc1ccccc1 95079706 343679535 /nfs/dbraw/zinc/67/95/35/343679535.db2.gz LIUGRXFEJOSPIA-UHFFFAOYSA-N 2 2 164.252 1.077 50 0 in-vitro ADAALP C[N@@H+](CC[NH3+])Cc1ccccc1 95079706 343679536 /nfs/dbraw/zinc/67/95/36/343679536.db2.gz LIUGRXFEJOSPIA-UHFFFAOYSA-N 2 2 164.252 1.077 50 0 in-vitro ADAALP C[NH+](C)C[C@@H]([NH3+])Cc1ccccc1 95079701 343679609 /nfs/dbraw/zinc/67/96/09/343679609.db2.gz HKHSRJNAQHRMGT-NSHDSACASA-N 2 2 178.279 1.118 50 0 ADAALP C[N@H+](CC[NH3+])Cc1ccc(F)cc1 95202009 343682648 /nfs/dbraw/zinc/68/26/48/343682648.db2.gz UPOHOUSCJAYAKS-UHFFFAOYSA-N 2 2 182.242 1.216 50 0 in-vitro ADAALP C[N@@H+](CC[NH3+])Cc1ccc(F)cc1 95202009 343682650 /nfs/dbraw/zinc/68/26/50/343682650.db2.gz UPOHOUSCJAYAKS-UHFFFAOYSA-N 2 2 182.242 1.216 50 0 in-vitro ADAALP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH3+] 95635280 343684993 /nfs/dbraw/zinc/68/49/93/343684993.db2.gz NFZIZQCPMPUVFT-CMPLNLGQSA-N 2 2 190.290 1.466 50 0 ADAALP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] 95635280 343684995 /nfs/dbraw/zinc/68/49/95/343684995.db2.gz NFZIZQCPMPUVFT-CMPLNLGQSA-N 2 2 190.290 1.466 50 0 ADAALP CC(C)[NH2+]CC[NH+]1CCCCC1 97150296 343701795 /nfs/dbraw/zinc/70/17/95/343701795.db2.gz ZMTRRVFYZHWSJY-UHFFFAOYSA-N 2 2 170.300 1.470 50 0 ADAALP CC[C@H](C)[NH2+]CC[NH+]1CCCCC1 97150294 343701869 /nfs/dbraw/zinc/70/18/69/343701869.db2.gz COHCGKHDVHWHEE-NSHDSACASA-N 2 2 184.327 1.860 50 0 ADAALP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C1 101202472 343723196 /nfs/dbraw/zinc/72/31/96/343723196.db2.gz UPDDLDNYCOENHW-ZYHUDNBSSA-N 2 2 190.290 1.781 50 0 in-vitro ADAALP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 101202472 343723199 /nfs/dbraw/zinc/72/31/99/343723199.db2.gz UPDDLDNYCOENHW-ZYHUDNBSSA-N 2 2 190.290 1.781 50 0 in-vitro ADAALP Cc1cccc(CC2CC[NH2+]CC2)[nH+]1 111854620 343754710 /nfs/dbraw/zinc/75/47/10/343754710.db2.gz XBTHIMBLQMEOIX-UHFFFAOYSA-N 2 2 190.290 1.932 50 0 ADAALP C[C@H]1CN(c2cc[nH+]cc2F)CC[NH2+]1 133636314 343923719 /nfs/dbraw/zinc/92/37/19/343923719.db2.gz CYYLHSCUIYFRNW-QMMMGPOBSA-N 2 2 195.241 1.019 50 0 ADAALP C[C@@H]1CN(c2cc[nH+]cc2F)CC[NH2+]1 133636119 343923794 /nfs/dbraw/zinc/92/37/94/343923794.db2.gz CYYLHSCUIYFRNW-MRVPVSSYSA-N 2 2 195.241 1.019 50 0 ADAALP CC1(C)[NH2+]CC[C@H]1[NH+]1CCCC1 205361851 344371438 /nfs/dbraw/zinc/37/14/38/344371438.db2.gz GXPUFRLBSDDRHW-SECBINFHSA-N 2 2 168.284 1.223 50 0 ADAALP CC1(C)[NH2+]CC[C@@H]1[NH+]1CCCC1 205361861 344371531 /nfs/dbraw/zinc/37/15/31/344371531.db2.gz GXPUFRLBSDDRHW-VIFPVBQESA-N 2 2 168.284 1.223 50 0 ADAALP C[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 216101597 344395111 /nfs/dbraw/zinc/39/51/11/344395111.db2.gz MDGLWUXAHGNWDO-QWRGUYRKSA-N 2 2 176.263 1.043 50 0 in-vitro ADAALP CC(C)[C@@H]1C[N@@H+]2CCC[C@H]2C[NH2+]1 238184934 344795363 /nfs/dbraw/zinc/79/53/63/344795363.db2.gz YPMDREPFLIKFTB-UWVGGRQHSA-N 2 2 168.284 1.079 50 0 ADAALP CC(C)[C@@H]1C[N@H+]2CCC[C@H]2C[NH2+]1 238184934 344795366 /nfs/dbraw/zinc/79/53/66/344795366.db2.gz YPMDREPFLIKFTB-UWVGGRQHSA-N 2 2 168.284 1.079 50 0 ADAALP C[C@@H]1C[NH2+]CCN1c1cc[nH+]cc1F 238399277 344805419 /nfs/dbraw/zinc/80/54/19/344805419.db2.gz JCAZIUYBQKNTQK-MRVPVSSYSA-N 2 2 195.241 1.019 50 0 ADAALP C[N@@H+]1CC[C@@H]([NH3+])[C@H]1c1ccccc1 238850945 344823204 /nfs/dbraw/zinc/82/32/04/344823204.db2.gz DLENRPOBIBOYGR-GHMZBOCLSA-N 2 2 176.263 1.391 50 0 in-vitro ADAALP C[N@H+]1CC[C@@H]([NH3+])[C@H]1c1ccccc1 238850945 344823205 /nfs/dbraw/zinc/82/32/05/344823205.db2.gz DLENRPOBIBOYGR-GHMZBOCLSA-N 2 2 176.263 1.391 50 0 in-vitro ADAALP C[N@@H+]1CC[C@H]([NH3+])[C@H]1c1ccccc1 238850946 344823212 /nfs/dbraw/zinc/82/32/12/344823212.db2.gz DLENRPOBIBOYGR-WDEREUQCSA-N 2 2 176.263 1.391 50 0 in-vitro ADAALP C[N@H+]1CC[C@H]([NH3+])[C@H]1c1ccccc1 238850946 344823213 /nfs/dbraw/zinc/82/32/13/344823213.db2.gz DLENRPOBIBOYGR-WDEREUQCSA-N 2 2 176.263 1.391 50 0 in-vitro ADAALP CC1CC[NH+]([C@H]2CC[NH2+]C2(C)C)CC1 307151629 345844071 /nfs/dbraw/zinc/84/40/71/345844071.db2.gz FALLJYAKODCIIP-NSHDSACASA-N 2 2 196.338 1.859 50 0 ADAALP CC1CC[NH+]([C@@H]2CC[NH2+]C2(C)C)CC1 307151628 345844287 /nfs/dbraw/zinc/84/42/87/345844287.db2.gz FALLJYAKODCIIP-LLVKDONJSA-N 2 2 196.338 1.859 50 0 ADAALP c1cc(OC2CC[NH2+]CC2)cc[nH+]1 2513133 351308151 /nfs/dbraw/zinc/30/81/51/351308151.db2.gz UNKDCRUEJJZIIB-UHFFFAOYSA-N 2 2 178.235 1.212 50 0 in-vitro ADAALP c1cc(O[C@H]2CCC[NH2+]C2)cc[nH+]1 2529112 351308978 /nfs/dbraw/zinc/30/89/78/351308978.db2.gz SMRSTPFSSZRHHP-JTQLQIEISA-N 2 2 178.235 1.212 50 0 in-vitro ADAALP c1cc(-n2cc[nH+]c2)cc[nH+]1 4227999 351325946 /nfs/dbraw/zinc/32/59/46/351325946.db2.gz JNDMBEDJCZRWLO-UHFFFAOYSA-N 2 2 145.165 1.267 50 0 in-vitro ADAALP c1[nH]cc(CCCC2CC[NH2+]CC2)[nH+]1 13530263 351369761 /nfs/dbraw/zinc/36/97/61/351369761.db2.gz YPGRNKJNOSUCLY-UHFFFAOYSA-N 2 2 193.294 1.732 50 0 in-vitro ADAALP c1[nH]c(CCCC2CC[NH2+]CC2)c[nH+]1 13530263 351369769 /nfs/dbraw/zinc/36/97/69/351369769.db2.gz YPGRNKJNOSUCLY-UHFFFAOYSA-N 2 2 193.294 1.732 50 0 in-vitro ADAALP c1cc(O[C@@H]2CCC[NH2+]C2)cc[nH+]1 15020880 351376638 /nfs/dbraw/zinc/37/66/38/351376638.db2.gz SMRSTPFSSZRHHP-SNVBAGLBSA-N 2 2 178.235 1.212 50 0 in-vitro ADAALP c1cn(CC[C@H]2CCCC[NH2+]2)c[nH+]1 15635555 351378940 /nfs/dbraw/zinc/37/89/40/351378940.db2.gz JXFKUPRQMYDHOQ-SNVBAGLBSA-N 2 2 179.267 1.415 50 0 ADAALP c1cn(CC[C@@H]2CCCC[NH2+]2)c[nH+]1 15635553 351379159 /nfs/dbraw/zinc/37/91/59/351379159.db2.gz JXFKUPRQMYDHOQ-JTQLQIEISA-N 2 2 179.267 1.415 50 0 ADAALP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1 22063345 351410693 /nfs/dbraw/zinc/41/06/93/351410693.db2.gz SFEGZLNDKUGHQJ-ZYHUDNBSSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccccc1 22063345 351410696 /nfs/dbraw/zinc/41/06/96/351410696.db2.gz SFEGZLNDKUGHQJ-ZYHUDNBSSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1 22063340 351411222 /nfs/dbraw/zinc/41/12/22/351411222.db2.gz SFEGZLNDKUGHQJ-PWSUYJOCSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1 22063340 351411225 /nfs/dbraw/zinc/41/12/25/351411225.db2.gz SFEGZLNDKUGHQJ-PWSUYJOCSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP c1ccc([C@@H]2C[NH2+]CCC[NH2+]2)cc1 22015522 351411359 /nfs/dbraw/zinc/41/13/59/351411359.db2.gz PQOLMVXRIQLMNF-NSHDSACASA-N 2 2 176.263 1.311 50 0 ADAALP c1ccc([C@H]2C[NH2+]CCC[NH2+]2)cc1 22015526 351411415 /nfs/dbraw/zinc/41/14/15/351411415.db2.gz PQOLMVXRIQLMNF-LLVKDONJSA-N 2 2 176.263 1.311 50 0 ADAALP c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)cc1 22129858 351412603 /nfs/dbraw/zinc/41/26/03/351412603.db2.gz NFLXIAUKMQBTMN-LLVKDONJSA-N 2 2 176.263 1.138 50 0 ADAALP c1ccc(C[NH2+][C@H]2CC[NH2+]C2)cc1 22198599 351413294 /nfs/dbraw/zinc/41/32/94/351413294.db2.gz NFLXIAUKMQBTMN-NSHDSACASA-N 2 2 176.263 1.138 50 0 ADAALP CC(C)C[C@H]1C[N@@H+]2CCC[C@H]2C[NH2+]1 23363475 351414480 /nfs/dbraw/zinc/41/44/80/351414480.db2.gz CLNMUPYECOXNEZ-QWRGUYRKSA-N 2 2 182.311 1.469 50 0 ADAALP CC(C)C[C@H]1C[N@H+]2CCC[C@H]2C[NH2+]1 23363475 351414482 /nfs/dbraw/zinc/41/44/82/351414482.db2.gz CLNMUPYECOXNEZ-QWRGUYRKSA-N 2 2 182.311 1.469 50 0 ADAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH3+])C1 31996504 351424299 /nfs/dbraw/zinc/42/42/99/351424299.db2.gz UPDDLDNYCOENHW-JQWIXIFHSA-N 2 2 190.290 1.781 50 0 in-vitro ADAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH3+])C1 31996504 351424302 /nfs/dbraw/zinc/42/43/02/351424302.db2.gz UPDDLDNYCOENHW-JQWIXIFHSA-N 2 2 190.290 1.781 50 0 in-vitro ADAALP CC[C@@H](C)[N@H+](CC[NH3+])Cc1ccco1 32009408 351425302 /nfs/dbraw/zinc/42/53/02/351425302.db2.gz SKFNHAMUGJBSLL-SNVBAGLBSA-N 2 2 196.294 1.839 50 0 ADAALP CC[C@@H](C)[N@@H+](CC[NH3+])Cc1ccco1 32009408 351425304 /nfs/dbraw/zinc/42/53/04/351425304.db2.gz SKFNHAMUGJBSLL-SNVBAGLBSA-N 2 2 196.294 1.839 50 0 ADAALP CC(C)([NH3+])C[NH+]1CCCCCC1 32445535 351429082 /nfs/dbraw/zinc/42/90/82/351429082.db2.gz IPTQCHXUONPDGI-UHFFFAOYSA-N 2 2 170.300 1.600 50 0 in-vitro ADAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH3+] 34249685 351436592 /nfs/dbraw/zinc/43/65/92/351436592.db2.gz NFZIZQCPMPUVFT-PWSUYJOCSA-N 2 2 190.290 1.466 50 0 in-vitro ADAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH3+] 34249685 351436595 /nfs/dbraw/zinc/43/65/95/351436595.db2.gz NFZIZQCPMPUVFT-PWSUYJOCSA-N 2 2 190.290 1.466 50 0 in-vitro ADAALP c1ccc(C[NH2+]Cc2c[nH+]c[nH]2)cc1 35392856 351450397 /nfs/dbraw/zinc/45/03/97/351450397.db2.gz LSZMCCGXDXEWJW-UHFFFAOYSA-N 2 2 187.246 1.700 50 0 in-vitro ADAALP CC(C)C[C@H]1C[N@@H+]2CCC[C@@H]2C[NH2+]1 39326113 351501130 /nfs/dbraw/zinc/50/11/30/351501130.db2.gz CLNMUPYECOXNEZ-WDEREUQCSA-N 2 2 182.311 1.469 50 0 ADAALP CC(C)C[C@H]1C[N@H+]2CCC[C@@H]2C[NH2+]1 39326113 351501134 /nfs/dbraw/zinc/50/11/34/351501134.db2.gz CLNMUPYECOXNEZ-WDEREUQCSA-N 2 2 182.311 1.469 50 0 ADAALP c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1 39414710 351501990 /nfs/dbraw/zinc/50/19/90/351501990.db2.gz CKJNLWALFAFBHN-LBPRGKRZSA-N 2 2 190.290 1.528 50 0 in-vitro ADAALP c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1 39414711 351502124 /nfs/dbraw/zinc/50/21/24/351502124.db2.gz CKJNLWALFAFBHN-GFCCVEGCSA-N 2 2 190.290 1.528 50 0 in-vitro ADAALP c1cn(CCCC2CC[NH2+]CC2)c[nH+]1 39472514 351503585 /nfs/dbraw/zinc/50/35/85/351503585.db2.gz YVGKIZVFJBMQCH-UHFFFAOYSA-N 2 2 193.294 1.663 50 0 in-vitro ADAALP C[C@@H]1CCC[N@H+](CC(C)(C)[NH3+])C1 39958224 351504879 /nfs/dbraw/zinc/50/48/79/351504879.db2.gz UNXLSDHBHSJGNF-SECBINFHSA-N 2 2 170.300 1.456 50 0 ADAALP C[C@@H]1CCCC[N@@H+]1CC(C)(C)[NH3+] 39958222 351504242 /nfs/dbraw/zinc/50/42/42/351504242.db2.gz FRAJFMOTJCQVOA-SECBINFHSA-N 2 2 170.300 1.598 50 0 in-vitro ADAALP C[C@@H]1CCCC[N@H+]1CC(C)(C)[NH3+] 39958222 351504248 /nfs/dbraw/zinc/50/42/48/351504248.db2.gz FRAJFMOTJCQVOA-SECBINFHSA-N 2 2 170.300 1.598 50 0 in-vitro ADAALP C[C@@H]1CCC[N@@H+](CC(C)(C)[NH3+])C1 39958224 351504880 /nfs/dbraw/zinc/50/48/80/351504880.db2.gz UNXLSDHBHSJGNF-SECBINFHSA-N 2 2 170.300 1.456 50 0 ADAALP C[C@@H](c1ccccc1)[C@@H]([NH3+])C[NH3+] 40240814 351505602 /nfs/dbraw/zinc/50/56/02/351505602.db2.gz FXLVGPWSHAUWFU-WPRPVWTQSA-N 2 2 164.252 1.076 50 0 ADAALP c1ccc(C[NH2+]CC[NH2+]C2CC2)cc1 40409802 351506785 /nfs/dbraw/zinc/50/67/85/351506785.db2.gz QEQADKMMORGKNM-UHFFFAOYSA-N 2 2 190.290 1.528 50 0 ADAALP CC(C)C[NH2+]CC[NH+]1CCCCC1 41202828 351517740 /nfs/dbraw/zinc/51/77/40/351517740.db2.gz RUPGFPVUWHFJGH-UHFFFAOYSA-N 2 2 184.327 1.718 50 0 ADAALP c1ccc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1 43323751 351527874 /nfs/dbraw/zinc/52/78/74/351527874.db2.gz ONMQJOUYBLBFBI-GFCCVEGCSA-N 2 2 190.290 1.528 50 0 in-vitro ADAALP c1ccc(C[NH2+][C@H]2CCC[NH2+]C2)cc1 43323753 351527964 /nfs/dbraw/zinc/52/79/64/351527964.db2.gz ONMQJOUYBLBFBI-LBPRGKRZSA-N 2 2 190.290 1.528 50 0 in-vitro ADAALP CC(C)c1[nH+]ccn1C[C@H]1CCC[NH2+]1 43496029 351528837 /nfs/dbraw/zinc/52/88/37/351528837.db2.gz UJQJZRYIEHNFAL-SNVBAGLBSA-N 2 2 193.294 1.759 50 0 in-vitro ADAALP CC(C)c1[nH+]ccn1C[C@@H]1CCC[NH2+]1 43496026 351528888 /nfs/dbraw/zinc/52/88/88/351528888.db2.gz UJQJZRYIEHNFAL-JTQLQIEISA-N 2 2 193.294 1.759 50 0 in-vitro ADAALP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH3+] 44184708 351536729 /nfs/dbraw/zinc/53/67/29/351536729.db2.gz NFZIZQCPMPUVFT-ZYHUDNBSSA-N 2 2 190.290 1.466 50 0 ADAALP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH3+] 44184708 351536733 /nfs/dbraw/zinc/53/67/33/351536733.db2.gz NFZIZQCPMPUVFT-ZYHUDNBSSA-N 2 2 190.290 1.466 50 0 ADAALP c1cc(OC[C@@H]2CCC[NH2+]C2)cc[nH+]1 51882985 351560310 /nfs/dbraw/zinc/56/03/10/351560310.db2.gz JDYQCHPVLFATDL-SNVBAGLBSA-N 2 2 192.262 1.460 50 0 ADAALP c1cc(OC[C@H]2CCC[NH2+]C2)cc[nH+]1 51882986 351560353 /nfs/dbraw/zinc/56/03/53/351560353.db2.gz JDYQCHPVLFATDL-JTQLQIEISA-N 2 2 192.262 1.460 50 0 ADAALP C[C@@H]1C[NH2+]CC[N@@H+](C2CCC2)C1 52213796 351564878 /nfs/dbraw/zinc/56/48/78/351564878.db2.gz NWDAHVJVGDJIDT-SECBINFHSA-N 2 2 168.284 1.080 50 0 in-vitro ADAALP C[C@@H]1C[NH2+]CC[N@H+](C2CCC2)C1 52213796 351564882 /nfs/dbraw/zinc/56/48/82/351564882.db2.gz NWDAHVJVGDJIDT-SECBINFHSA-N 2 2 168.284 1.080 50 0 in-vitro ADAALP c1ccc(NC[C@@H]2CC[NH2+]C2)[nH+]c1 57217707 351577621 /nfs/dbraw/zinc/57/76/21/351577621.db2.gz SHHXEJVQQWFIPM-SECBINFHSA-N 2 2 177.251 1.103 50 0 in-vitro ADAALP c1ccc(NC[C@H]2CC[NH2+]C2)[nH+]c1 57217708 351577670 /nfs/dbraw/zinc/57/76/70/351577670.db2.gz SHHXEJVQQWFIPM-VIFPVBQESA-N 2 2 177.251 1.103 50 0 in-vitro ADAALP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1Cc1ccccc1 74941826 351624153 /nfs/dbraw/zinc/62/41/53/351624153.db2.gz GEZSNOKHPRRTIC-PWSUYJOCSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@@H]1C[C@H]([NH3+])C[N@H+]1Cc1ccccc1 74941826 351624156 /nfs/dbraw/zinc/62/41/56/351624156.db2.gz GEZSNOKHPRRTIC-PWSUYJOCSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1Cc1ccccc1 74941829 351624430 /nfs/dbraw/zinc/62/44/30/351624430.db2.gz GEZSNOKHPRRTIC-ZYHUDNBSSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1Cc1ccccc1 74941829 351624433 /nfs/dbraw/zinc/62/44/33/351624433.db2.gz GEZSNOKHPRRTIC-ZYHUDNBSSA-N 2 2 190.290 1.608 50 0 in-vitro ADAALP c1[nH+]c2c(n1[C@@H]1CC[NH2+]C1)CCCC2 76093927 351625120 /nfs/dbraw/zinc/62/51/20/351625120.db2.gz YUUVYQJTJZIXAA-SECBINFHSA-N 2 2 191.278 1.296 50 0 ADAALP c1[nH+]c2c(n1[C@H]1CC[NH2+]C1)CCCC2 76093930 351625356 /nfs/dbraw/zinc/62/53/56/351625356.db2.gz YUUVYQJTJZIXAA-VIFPVBQESA-N 2 2 191.278 1.296 50 0 ADAALP CC[C@@H](C)[NH2+][C@H](C[NH3+])c1ccco1 83760947 351647680 /nfs/dbraw/zinc/64/76/80/351647680.db2.gz PPVANSNFHRGNHM-RKDXNWHRSA-N 2 2 182.267 1.668 50 0 in-vitro ADAALP CC[C@@H](C)[NH2+][C@@H](C[NH3+])c1ccco1 83760942 351647710 /nfs/dbraw/zinc/64/77/10/351647710.db2.gz PPVANSNFHRGNHM-BDAKNGLRSA-N 2 2 182.267 1.668 50 0 in-vitro ADAALP c1cn(CCC2CC[NH2+]CC2)c[nH+]1 95081262 351668065 /nfs/dbraw/zinc/66/80/65/351668065.db2.gz PPIJGGILSYOSSI-UHFFFAOYSA-N 2 2 179.267 1.273 50 0 in-vitro ADAALP CC[C@@H](C)[NH2+]CC[NH+]1CCCCC1 97150293 351684628 /nfs/dbraw/zinc/68/46/28/351684628.db2.gz COHCGKHDVHWHEE-LLVKDONJSA-N 2 2 184.327 1.860 50 0 ADAALP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH3+])C1 130752658 351736057 /nfs/dbraw/zinc/73/60/57/351736057.db2.gz UPDDLDNYCOENHW-CMPLNLGQSA-N 2 2 190.290 1.781 50 0 in-vitro ADAALP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH3+])C1 130752658 351736061 /nfs/dbraw/zinc/73/60/61/351736061.db2.gz UPDDLDNYCOENHW-CMPLNLGQSA-N 2 2 190.290 1.781 50 0 in-vitro ADAALP Cc1ccc(CC2C[NH2+]C2)c[nH+]1 169798630 351771191 /nfs/dbraw/zinc/77/11/91/351771191.db2.gz JNHQVEMLDJRXNF-UHFFFAOYSA-N 2 2 162.236 1.152 50 0 ADAALP C[C@H]1C[NH2+]CCN1c1cc[nH+]cc1F 238472562 351822056 /nfs/dbraw/zinc/82/20/56/351822056.db2.gz JCAZIUYBQKNTQK-QMMMGPOBSA-N 2 2 195.241 1.019 50 0 ADAALP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCC[NH2+]C1 238855160 351825867 /nfs/dbraw/zinc/82/58/67/351825867.db2.gz QQRILNLFDBBTQQ-MXWKQRLJSA-N 2 2 182.311 1.611 50 0 ADAALP F[C@H]1C[NH2+]CC[C@H]1[NH+]1CCCCC1 575499013 352398341 /nfs/dbraw/zinc/39/83/41/352398341.db2.gz PPNYOPTVJSKOPB-VHSXEESVSA-N 2 2 186.274 1.172 50 0 ADAALP C[C@@H]1CC[NH2+]C[C@H]1n1cc[nH+]c1 75772065 371648587 /nfs/dbraw/zinc/64/85/87/371648587.db2.gz SAKIRPGKBFEANV-RKDXNWHRSA-N 2 2 165.240 1.054 50 0 in-vitro ADAALP C[C@@H]([NH3+])c1c[nH+]c2n1CCCC2 107160955 573388977 /nfs/dbraw/zinc/38/89/77/573388977.db2.gz WWXMOZKAIUCAJK-SSDOTTSWSA-N 2 2 165.240 1.239 50 0 ADAALP Cn1c[nH+]c2c1CC[C@@H]1[NH2+]CCC[C@@H]21 950757338 630210650 /nfs/dbraw/zinc/21/06/50/630210650.db2.gz VKIHBEYKTJGOKH-BDAKNGLRSA-N 2 2 191.278 1.202 50 0 ADAALP Cn1c[nH+]c2c1CC[C@H]1[NH2+]CCC[C@@H]21 950757341 630211101 /nfs/dbraw/zinc/21/11/01/630211101.db2.gz VKIHBEYKTJGOKH-RKDXNWHRSA-N 2 2 191.278 1.202 50 0 ADAALP Cn1c[nH+]c2c1CC[C@H]1[NH2+]CCC[C@H]21 950757339 630211391 /nfs/dbraw/zinc/21/13/91/630211391.db2.gz VKIHBEYKTJGOKH-DTWKUNHWSA-N 2 2 191.278 1.202 50 0 ADAALP Cn1c[nH+]c2c1CC[C@@H]1[NH2+]CCC[C@H]21 950757340 630212381 /nfs/dbraw/zinc/21/23/81/630212381.db2.gz VKIHBEYKTJGOKH-IUCAKERBSA-N 2 2 191.278 1.202 50 0 ADAALP